SimRNA (c) 2009-2024 Genesilico, ver. 3.33 Replica Exchange Monte Carlo Method is SWITCHED ON 10 replicas were ordered .reading parameteres setting random seed = 1 initiating replica nr: 1 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 120 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: 605 n_atoms_counter: 605 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 120.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.900 successfully initiated initiating replica nr: 2 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 120 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: 605 n_atoms_counter: 605 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 120.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.950 successfully initiated initiating replica nr: 3 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 120 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: 605 n_atoms_counter: 605 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 120.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.000 successfully initiated initiating replica nr: 4 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 120 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: 605 n_atoms_counter: 605 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 120.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.050 successfully initiated initiating replica nr: 5 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 120 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: 605 n_atoms_counter: 605 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 120.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.100 successfully initiated initiating replica nr: 6 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 120 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: 605 n_atoms_counter: 605 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 120.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.150 successfully initiated initiating replica nr: 7 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 120 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: 605 n_atoms_counter: 605 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 120.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.200 successfully initiated initiating replica nr: 8 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 120 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: 605 n_atoms_counter: 605 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 120.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.250 successfully initiated initiating replica nr: 9 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 120 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: 605 n_atoms_counter: 605 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 120.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.300 successfully initiated initiating replica nr: 10 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-aaecf039/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 120 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: 605 n_atoms_counter: 605 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 120.000000 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: -490.426627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.426627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.426627 (E_RNA) where: Base-Base interactions energy: -23.180 where: short stacking energy: -23.180 Base-Backbone interact. energy: -0.000 local terms energy: -467.246690 where: bonds (distance) C4'-P energy: -116.589 bonds (distance) P-C4' energy: -108.253 flat angles C4'-P-C4' energy: -88.107 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -53.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -490.426627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.426627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.426627 (E_RNA) where: Base-Base interactions energy: -23.180 where: short stacking energy: -23.180 Base-Backbone interact. energy: -0.000 local terms energy: -467.246690 where: bonds (distance) C4'-P energy: -116.589 bonds (distance) P-C4' energy: -108.253 flat angles C4'-P-C4' energy: -88.107 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -53.512 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -490.426627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.426627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.426627 (E_RNA) where: Base-Base interactions energy: -23.180 where: short stacking energy: -23.180 Base-Backbone interact. energy: -0.000 local terms energy: -467.246690 where: bonds (distance) C4'-P energy: -116.589 bonds (distance) P-C4' energy: -108.253 flat angles C4'-P-C4' energy: -88.107 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -53.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -490.426627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.426627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.426627 (E_RNA) where: Base-Base interactions energy: -23.180 where: short stacking energy: -23.180 Base-Backbone interact. energy: -0.000 local terms energy: -467.246690 where: bonds (distance) C4'-P energy: -116.589 bonds (distance) P-C4' energy: -108.253 flat angles C4'-P-C4' energy: -88.107 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -53.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -490.426627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.426627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.426627 (E_RNA) where: Base-Base interactions energy: -23.180 where: short stacking energy: -23.180 Base-Backbone interact. energy: -0.000 local terms energy: -467.246690 where: bonds (distance) C4'-P energy: -116.589 bonds (distance) P-C4' energy: -108.253 flat angles C4'-P-C4' energy: -88.107 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -53.512 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: 1 Temperature: 1.150000 Total energy: -490.426627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.426627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.426627 (E_RNA) where: Base-Base interactions energy: -23.180 where: short stacking energy: -23.180 Base-Backbone interact. energy: -0.000 local terms energy: -467.246690 where: bonds (distance) C4'-P energy: -116.589 bonds (distance) P-C4' energy: -108.253 flat angles C4'-P-C4' energy: -88.107 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -53.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -490.426627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.426627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.426627 (E_RNA) where: Base-Base interactions energy: -23.180 where: short stacking energy: -23.180 Base-Backbone interact. energy: -0.000 local terms energy: -467.246690 where: bonds (distance) C4'-P energy: -116.589 bonds (distance) P-C4' energy: -108.253 flat angles C4'-P-C4' energy: -88.107 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -53.512 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -490.426627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.426627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.426627 (E_RNA) where: Base-Base interactions energy: -23.180 where: short stacking energy: -23.180 Base-Backbone interact. energy: -0.000 local terms energy: -467.246690 where: bonds (distance) C4'-P energy: -116.589 bonds (distance) P-C4' energy: -108.253 flat angles C4'-P-C4' energy: -88.107 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -53.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -490.426627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.426627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.426627 (E_RNA) where: Base-Base interactions energy: -23.180 where: short stacking energy: -23.180 Base-Backbone interact. energy: -0.000 local terms energy: -467.246690 where: bonds (distance) C4'-P energy: -116.589 bonds (distance) P-C4' energy: -108.253 flat angles C4'-P-C4' energy: -88.107 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -53.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -490.426627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.426627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.426627 (E_RNA) where: Base-Base interactions energy: -23.180 where: short stacking energy: -23.180 Base-Backbone interact. energy: -0.000 local terms energy: -467.246690 where: bonds (distance) C4'-P energy: -116.589 bonds (distance) P-C4' energy: -108.253 flat angles C4'-P-C4' energy: -88.107 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -53.512 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -615.334022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.334022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.334022 (E_RNA) where: Base-Base interactions energy: -283.548 where: short stacking energy: -245.417 Base-Backbone interact. energy: 4.752 local terms energy: -336.538156 where: bonds (distance) C4'-P energy: -86.751 bonds (distance) P-C4' energy: -74.632 flat angles C4'-P-C4' energy: -81.929 flat angles P-C4'-P energy: -45.025 tors. eta vs tors. theta energy: -48.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -564.143469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.143469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.143469 (E_RNA) where: Base-Base interactions energy: -239.688 where: short stacking energy: -229.036 Base-Backbone interact. energy: -0.675 local terms energy: -323.780483 where: bonds (distance) C4'-P energy: -68.726 bonds (distance) P-C4' energy: -80.572 flat angles C4'-P-C4' energy: -83.370 flat angles P-C4'-P energy: -44.912 tors. eta vs tors. theta energy: -46.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -540.552489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.552489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.552489 (E_RNA) where: Base-Base interactions energy: -226.769 where: short stacking energy: -196.367 Base-Backbone interact. energy: -0.551 local terms energy: -313.231868 where: bonds (distance) C4'-P energy: -75.377 bonds (distance) P-C4' energy: -83.130 flat angles C4'-P-C4' energy: -73.787 flat angles P-C4'-P energy: -48.668 tors. eta vs tors. theta energy: -32.269 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -518.666763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.666763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.666763 (E_RNA) where: Base-Base interactions energy: -209.866 where: short stacking energy: -203.344 Base-Backbone interact. energy: 3.697 local terms energy: -312.498130 where: bonds (distance) C4'-P energy: -70.441 bonds (distance) P-C4' energy: -79.382 flat angles C4'-P-C4' energy: -64.124 flat angles P-C4'-P energy: -52.668 tors. eta vs tors. theta energy: -45.883 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -494.512127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.512127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.512127 (E_RNA) where: Base-Base interactions energy: -41.606 where: short stacking energy: -41.606 Base-Backbone interact. energy: -0.000 local terms energy: -452.906033 where: bonds (distance) C4'-P energy: -105.591 bonds (distance) P-C4' energy: -105.062 flat angles C4'-P-C4' energy: -87.859 flat angles P-C4'-P energy: -99.610 tors. eta vs tors. theta energy: -54.785 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -495.292610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.292610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.292610 (E_RNA) where: Base-Base interactions energy: -32.962 where: short stacking energy: -32.962 Base-Backbone interact. energy: -0.000 local terms energy: -462.330831 where: bonds (distance) C4'-P energy: -113.303 bonds (distance) P-C4' energy: -107.503 flat angles C4'-P-C4' energy: -86.819 flat angles P-C4'-P energy: -100.331 tors. eta vs tors. theta energy: -54.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -495.626520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.626520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.626520 (E_RNA) where: Base-Base interactions energy: -60.763 where: short stacking energy: -60.763 Base-Backbone interact. energy: -0.000 local terms energy: -434.863778 where: bonds (distance) C4'-P energy: -103.062 bonds (distance) P-C4' energy: -90.270 flat angles C4'-P-C4' energy: -90.455 flat angles P-C4'-P energy: -93.851 tors. eta vs tors. theta energy: -57.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -500.035193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.035193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.035193 (E_RNA) where: Base-Base interactions energy: -75.507 where: short stacking energy: -75.507 Base-Backbone interact. energy: -0.000 local terms energy: -424.528336 where: bonds (distance) C4'-P energy: -101.443 bonds (distance) P-C4' energy: -80.719 flat angles C4'-P-C4' energy: -91.673 flat angles P-C4'-P energy: -93.794 tors. eta vs tors. theta energy: -56.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -498.527569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.527569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.527569 (E_RNA) where: Base-Base interactions energy: -57.035 where: short stacking energy: -57.035 Base-Backbone interact. energy: -0.000 local terms energy: -441.492499 where: bonds (distance) C4'-P energy: -106.877 bonds (distance) P-C4' energy: -95.851 flat angles C4'-P-C4' energy: -88.897 flat angles P-C4'-P energy: -95.592 tors. eta vs tors. theta energy: -54.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -493.226908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.226908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.226908 (E_RNA) where: Base-Base interactions energy: -29.490 where: short stacking energy: -29.490 Base-Backbone interact. energy: -0.000 local terms energy: -463.736742 where: bonds (distance) C4'-P energy: -115.153 bonds (distance) P-C4' energy: -107.513 flat angles C4'-P-C4' energy: -86.652 flat angles P-C4'-P energy: -100.440 tors. eta vs tors. theta energy: -53.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -697.342337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.342337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.342337 (E_RNA) where: Base-Base interactions energy: -343.362 where: short stacking energy: -286.026 Base-Backbone interact. energy: -0.610 local terms energy: -353.370474 where: bonds (distance) C4'-P energy: -78.092 bonds (distance) P-C4' energy: -84.589 flat angles C4'-P-C4' energy: -70.039 flat angles P-C4'-P energy: -49.022 tors. eta vs tors. theta energy: -71.629 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -668.973210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.973210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.973210 (E_RNA) where: Base-Base interactions energy: -338.398 where: short stacking energy: -250.140 Base-Backbone interact. energy: -0.948 local terms energy: -329.627741 where: bonds (distance) C4'-P energy: -77.091 bonds (distance) P-C4' energy: -71.697 flat angles C4'-P-C4' energy: -74.362 flat angles P-C4'-P energy: -48.523 tors. eta vs tors. theta energy: -57.955 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -596.172859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.172859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.172859 (E_RNA) where: Base-Base interactions energy: -307.294 where: short stacking energy: -238.711 Base-Backbone interact. energy: -0.352 local terms energy: -288.526853 where: bonds (distance) C4'-P energy: -61.029 bonds (distance) P-C4' energy: -58.753 flat angles C4'-P-C4' energy: -83.047 flat angles P-C4'-P energy: -48.645 tors. eta vs tors. theta energy: -37.053 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: 3 Temperature: 1.050000 Total energy: -603.180599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.180599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.180599 (E_RNA) where: Base-Base interactions energy: -306.468 where: short stacking energy: -196.936 Base-Backbone interact. energy: -1.711 local terms energy: -295.001221 where: bonds (distance) C4'-P energy: -76.733 bonds (distance) P-C4' energy: -64.229 flat angles C4'-P-C4' energy: -69.377 flat angles P-C4'-P energy: -41.911 tors. eta vs tors. theta energy: -42.751 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: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -485.855351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.855351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.855351 (E_RNA) where: Base-Base interactions energy: -217.731 where: short stacking energy: -171.908 Base-Backbone interact. energy: -0.106 local terms energy: -268.018279 where: bonds (distance) C4'-P energy: -70.213 bonds (distance) P-C4' energy: -70.033 flat angles C4'-P-C4' energy: -62.663 flat angles P-C4'-P energy: -41.384 tors. eta vs tors. theta energy: -23.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -501.194944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.194944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.194944 (E_RNA) where: Base-Base interactions energy: -251.703 where: short stacking energy: -156.277 Base-Backbone interact. energy: -0.498 local terms energy: -248.993609 where: bonds (distance) C4'-P energy: -70.687 bonds (distance) P-C4' energy: -76.281 flat angles C4'-P-C4' energy: -58.365 flat angles P-C4'-P energy: -25.530 tors. eta vs tors. theta energy: -18.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -431.189831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.189831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.189831 (E_RNA) where: Base-Base interactions energy: -184.516 where: short stacking energy: -124.300 Base-Backbone interact. energy: 2.074 local terms energy: -248.747133 where: bonds (distance) C4'-P energy: -66.307 bonds (distance) P-C4' energy: -74.669 flat angles C4'-P-C4' energy: -68.928 flat angles P-C4'-P energy: -23.792 tors. eta vs tors. theta energy: -15.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -450.057334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.057334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.057334 (E_RNA) where: Base-Base interactions energy: -219.894 where: short stacking energy: -166.713 Base-Backbone interact. energy: -2.081 local terms energy: -228.082641 where: bonds (distance) C4'-P energy: -66.730 bonds (distance) P-C4' energy: -57.250 flat angles C4'-P-C4' energy: -51.090 flat angles P-C4'-P energy: -32.371 tors. eta vs tors. theta energy: -20.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -369.993411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.993411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.993411 (E_RNA) where: Base-Base interactions energy: -166.545 where: short stacking energy: -96.357 Base-Backbone interact. energy: 1.200 local terms energy: -204.647766 where: bonds (distance) C4'-P energy: -59.107 bonds (distance) P-C4' energy: -70.364 flat angles C4'-P-C4' energy: -53.543 flat angles P-C4'-P energy: -38.666 tors. eta vs tors. theta energy: 17.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -374.913444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.913444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.913444 (E_RNA) where: Base-Base interactions energy: -143.862 where: short stacking energy: -99.656 Base-Backbone interact. energy: 0.002 local terms energy: -231.054178 where: bonds (distance) C4'-P energy: -76.037 bonds (distance) P-C4' energy: -73.244 flat angles C4'-P-C4' energy: -56.484 flat angles P-C4'-P energy: -28.104 tors. eta vs tors. theta energy: 2.816 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -745.115376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.115376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.115376 (E_RNA) where: Base-Base interactions energy: -387.116 where: short stacking energy: -300.101 Base-Backbone interact. energy: -0.215 local terms energy: -357.784777 where: bonds (distance) C4'-P energy: -76.780 bonds (distance) P-C4' energy: -78.477 flat angles C4'-P-C4' energy: -83.235 flat angles P-C4'-P energy: -42.366 tors. eta vs tors. theta energy: -76.928 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: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -686.804288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.804288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.804288 (E_RNA) where: Base-Base interactions energy: -358.507 where: short stacking energy: -267.132 Base-Backbone interact. energy: 2.630 local terms energy: -330.927580 where: bonds (distance) C4'-P energy: -79.290 bonds (distance) P-C4' energy: -79.002 flat angles C4'-P-C4' energy: -80.410 flat angles P-C4'-P energy: -34.413 tors. eta vs tors. theta energy: -57.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -783.130510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.130510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.130510 (E_RNA) where: Base-Base interactions energy: -457.826 where: short stacking energy: -279.737 Base-Backbone interact. energy: -0.213 local terms energy: -325.091707 where: bonds (distance) C4'-P energy: -74.165 bonds (distance) P-C4' energy: -69.039 flat angles C4'-P-C4' energy: -69.952 flat angles P-C4'-P energy: -43.094 tors. eta vs tors. theta energy: -68.842 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: 4 Temperature: 1.050000 Total energy: -683.515830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.515830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.515830 (E_RNA) where: Base-Base interactions energy: -391.536 where: short stacking energy: -243.415 Base-Backbone interact. energy: -0.592 local terms energy: -291.387081 where: bonds (distance) C4'-P energy: -61.098 bonds (distance) P-C4' energy: -76.676 flat angles C4'-P-C4' energy: -74.555 flat angles P-C4'-P energy: -36.183 tors. eta vs tors. theta energy: -42.875 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: 4 Temperature: 1.100000 Total energy: -599.274580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.274580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.274580 (E_RNA) where: Base-Base interactions energy: -298.261 where: short stacking energy: -201.030 Base-Backbone interact. energy: -1.492 local terms energy: -299.522459 where: bonds (distance) C4'-P energy: -67.447 bonds (distance) P-C4' energy: -79.028 flat angles C4'-P-C4' energy: -75.423 flat angles P-C4'-P energy: -36.814 tors. eta vs tors. theta energy: -40.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -431.160907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.160907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.160907 (E_RNA) where: Base-Base interactions energy: -178.951 where: short stacking energy: -151.934 Base-Backbone interact. energy: 4.709 local terms energy: -256.918671 where: bonds (distance) C4'-P energy: -78.391 bonds (distance) P-C4' energy: -61.450 flat angles C4'-P-C4' energy: -61.434 flat angles P-C4'-P energy: -33.010 tors. eta vs tors. theta energy: -22.634 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: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -515.331762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.331762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.331762 (E_RNA) where: Base-Base interactions energy: -274.955 where: short stacking energy: -173.753 Base-Backbone interact. energy: 0.107 local terms energy: -240.483779 where: bonds (distance) C4'-P energy: -59.257 bonds (distance) P-C4' energy: -57.557 flat angles C4'-P-C4' energy: -59.927 flat angles P-C4'-P energy: -41.858 tors. eta vs tors. theta energy: -21.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -377.052937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.052937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.052937 (E_RNA) where: Base-Base interactions energy: -144.583 where: short stacking energy: -129.607 Base-Backbone interact. energy: -1.892 local terms energy: -230.577753 where: bonds (distance) C4'-P energy: -58.183 bonds (distance) P-C4' energy: -65.952 flat angles C4'-P-C4' energy: -58.905 flat angles P-C4'-P energy: -40.718 tors. eta vs tors. theta energy: -6.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -411.066639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.066639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.066639 (E_RNA) where: Base-Base interactions energy: -192.350 where: short stacking energy: -121.323 Base-Backbone interact. energy: -0.619 local terms energy: -218.097502 where: bonds (distance) C4'-P energy: -50.879 bonds (distance) P-C4' energy: -64.882 flat angles C4'-P-C4' energy: -56.087 flat angles P-C4'-P energy: -49.475 tors. eta vs tors. theta energy: 3.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -313.467223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.467223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.467223 (E_RNA) where: Base-Base interactions energy: -113.533 where: short stacking energy: -86.715 Base-Backbone interact. energy: -1.641 local terms energy: -198.292500 where: bonds (distance) C4'-P energy: -73.359 bonds (distance) P-C4' energy: -68.853 flat angles C4'-P-C4' energy: -34.752 flat angles P-C4'-P energy: -27.703 tors. eta vs tors. theta energy: 6.374 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -757.621164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.621164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.621164 (E_RNA) where: Base-Base interactions energy: -396.966 where: short stacking energy: -302.285 Base-Backbone interact. energy: -1.351 local terms energy: -359.304091 where: bonds (distance) C4'-P energy: -76.632 bonds (distance) P-C4' energy: -74.918 flat angles C4'-P-C4' energy: -69.617 flat angles P-C4'-P energy: -57.029 tors. eta vs tors. theta energy: -81.108 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: 5 Temperature: 0.950000 Total energy: -850.523328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.523328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.523328 (E_RNA) where: Base-Base interactions energy: -503.212 where: short stacking energy: -256.413 Base-Backbone interact. energy: -2.732 local terms energy: -344.578761 where: bonds (distance) C4'-P energy: -66.838 bonds (distance) P-C4' energy: -86.465 flat angles C4'-P-C4' energy: -77.055 flat angles P-C4'-P energy: -51.446 tors. eta vs tors. theta energy: -62.774 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: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -667.661732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.661732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.661732 (E_RNA) where: Base-Base interactions energy: -333.211 where: short stacking energy: -245.827 Base-Backbone interact. energy: -0.248 local terms energy: -334.202552 where: bonds (distance) C4'-P energy: -78.334 bonds (distance) P-C4' energy: -72.516 flat angles C4'-P-C4' energy: -82.220 flat angles P-C4'-P energy: -37.584 tors. eta vs tors. theta energy: -63.548 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: 4, replica: 3 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -789.796037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.796037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.796037 (E_RNA) where: Base-Base interactions energy: -487.857 where: short stacking energy: -231.677 Base-Backbone interact. energy: 0.441 local terms energy: -302.379549 where: bonds (distance) C4'-P energy: -65.598 bonds (distance) P-C4' energy: -65.169 flat angles C4'-P-C4' energy: -76.135 flat angles P-C4'-P energy: -46.983 tors. eta vs tors. theta energy: -48.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -646.104032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.104032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.104032 (E_RNA) where: Base-Base interactions energy: -368.565 where: short stacking energy: -194.844 Base-Backbone interact. energy: -2.426 local terms energy: -275.113316 where: bonds (distance) C4'-P energy: -71.105 bonds (distance) P-C4' energy: -72.363 flat angles C4'-P-C4' energy: -61.986 flat angles P-C4'-P energy: -45.558 tors. eta vs tors. theta energy: -24.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -615.222259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.222259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.222259 (E_RNA) where: Base-Base interactions energy: -352.715 where: short stacking energy: -178.862 Base-Backbone interact. energy: -1.980 local terms energy: -260.527700 where: bonds (distance) C4'-P energy: -68.410 bonds (distance) P-C4' energy: -69.119 flat angles C4'-P-C4' energy: -68.460 flat angles P-C4'-P energy: -40.494 tors. eta vs tors. theta energy: -14.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -384.214767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.214767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.214767 (E_RNA) where: Base-Base interactions energy: -154.407 where: short stacking energy: -133.216 Base-Backbone interact. energy: 0.559 local terms energy: -230.366465 where: bonds (distance) C4'-P energy: -55.410 bonds (distance) P-C4' energy: -79.328 flat angles C4'-P-C4' energy: -54.931 flat angles P-C4'-P energy: -44.751 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: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -534.402979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.402979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.402979 (E_RNA) where: Base-Base interactions energy: -298.217 where: short stacking energy: -165.241 Base-Backbone interact. energy: -1.438 local terms energy: -234.747254 where: bonds (distance) C4'-P energy: -61.484 bonds (distance) P-C4' energy: -55.567 flat angles C4'-P-C4' energy: -63.988 flat angles P-C4'-P energy: -23.072 tors. eta vs tors. theta energy: -30.636 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: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -462.127239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.127239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.127239 (E_RNA) where: Base-Base interactions energy: -265.918 where: short stacking energy: -137.190 Base-Backbone interact. energy: 1.208 local terms energy: -197.417358 where: bonds (distance) C4'-P energy: -57.834 bonds (distance) P-C4' energy: -66.565 flat angles C4'-P-C4' energy: -42.062 flat angles P-C4'-P energy: -21.392 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: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -395.280050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.280050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.280050 (E_RNA) where: Base-Base interactions energy: -189.148 where: short stacking energy: -117.350 Base-Backbone interact. energy: 9.989 local terms energy: -216.122006 where: bonds (distance) C4'-P energy: -56.374 bonds (distance) P-C4' energy: -68.739 flat angles C4'-P-C4' energy: -56.687 flat angles P-C4'-P energy: -34.308 tors. eta vs tors. theta energy: -0.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -923.249292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.249292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.249292 (E_RNA) where: Base-Base interactions energy: -554.733 where: short stacking energy: -291.616 Base-Backbone interact. energy: 0.726 local terms energy: -369.241664 where: bonds (distance) C4'-P energy: -74.790 bonds (distance) P-C4' energy: -85.528 flat angles C4'-P-C4' energy: -81.316 flat angles P-C4'-P energy: -56.005 tors. eta vs tors. theta energy: -71.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -732.463632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.463632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.463632 (E_RNA) where: Base-Base interactions energy: -373.434 where: short stacking energy: -281.629 Base-Backbone interact. energy: -0.937 local terms energy: -358.092624 where: bonds (distance) C4'-P energy: -73.568 bonds (distance) P-C4' energy: -76.627 flat angles C4'-P-C4' energy: -84.030 flat angles P-C4'-P energy: -47.819 tors. eta vs tors. theta energy: -76.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -877.360116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.360116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.360116 (E_RNA) where: Base-Base interactions energy: -552.948 where: short stacking energy: -277.217 Base-Backbone interact. energy: -0.117 local terms energy: -324.295257 where: bonds (distance) C4'-P energy: -76.567 bonds (distance) P-C4' energy: -70.165 flat angles C4'-P-C4' energy: -66.344 flat angles P-C4'-P energy: -46.771 tors. eta vs tors. theta energy: -64.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -673.895322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.895322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.895322 (E_RNA) where: Base-Base interactions energy: -366.453 where: short stacking energy: -205.630 Base-Backbone interact. energy: 3.729 local terms energy: -311.170513 where: bonds (distance) C4'-P energy: -61.011 bonds (distance) P-C4' energy: -81.701 flat angles C4'-P-C4' energy: -72.998 flat angles P-C4'-P energy: -58.403 tors. eta vs tors. theta energy: -37.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -782.065466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.065466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.065466 (E_RNA) where: Base-Base interactions energy: -470.421 where: short stacking energy: -235.480 Base-Backbone interact. energy: 1.077 local terms energy: -312.721002 where: bonds (distance) C4'-P energy: -65.171 bonds (distance) P-C4' energy: -80.247 flat angles C4'-P-C4' energy: -69.144 flat angles P-C4'-P energy: -43.015 tors. eta vs tors. theta energy: -55.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -773.191336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.191336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.191336 (E_RNA) where: Base-Base interactions energy: -494.253 where: short stacking energy: -229.151 Base-Backbone interact. energy: -0.497 local terms energy: -278.441143 where: bonds (distance) C4'-P energy: -66.199 bonds (distance) P-C4' energy: -55.517 flat angles C4'-P-C4' energy: -64.803 flat angles P-C4'-P energy: -46.125 tors. eta vs tors. theta energy: -45.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -626.829899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.829899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.829899 (E_RNA) where: Base-Base interactions energy: -361.945 where: short stacking energy: -199.516 Base-Backbone interact. energy: -0.701 local terms energy: -264.183993 where: bonds (distance) C4'-P energy: -73.701 bonds (distance) P-C4' energy: -61.612 flat angles C4'-P-C4' energy: -53.043 flat angles P-C4'-P energy: -42.459 tors. eta vs tors. theta energy: -33.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -437.167366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.167366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.167366 (E_RNA) where: Base-Base interactions energy: -227.482 where: short stacking energy: -145.494 Base-Backbone interact. energy: 1.541 local terms energy: -211.226555 where: bonds (distance) C4'-P energy: -57.405 bonds (distance) P-C4' energy: -65.286 flat angles C4'-P-C4' energy: -52.271 flat angles P-C4'-P energy: -37.314 tors. eta vs tors. theta energy: 1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -549.728540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.728540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.728540 (E_RNA) where: Base-Base interactions energy: -324.354 where: short stacking energy: -123.866 Base-Backbone interact. energy: 4.607 local terms energy: -229.981173 where: bonds (distance) C4'-P energy: -67.783 bonds (distance) P-C4' energy: -64.575 flat angles C4'-P-C4' energy: -60.105 flat angles P-C4'-P energy: -31.007 tors. eta vs tors. theta energy: -6.511 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: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -396.759321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.759321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.759321 (E_RNA) where: Base-Base interactions energy: -189.973 where: short stacking energy: -119.995 Base-Backbone interact. energy: 0.396 local terms energy: -207.182788 where: bonds (distance) C4'-P energy: -58.567 bonds (distance) P-C4' energy: -62.254 flat angles C4'-P-C4' energy: -62.588 flat angles P-C4'-P energy: -17.787 tors. eta vs tors. theta energy: -5.986 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: 1, replica: 5 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -942.437591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.437591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.437591 (E_RNA) where: Base-Base interactions energy: -600.671 where: short stacking energy: -290.367 Base-Backbone interact. energy: -1.095 local terms energy: -340.671811 where: bonds (distance) C4'-P energy: -71.434 bonds (distance) P-C4' energy: -73.905 flat angles C4'-P-C4' energy: -77.580 flat angles P-C4'-P energy: -54.680 tors. eta vs tors. theta energy: -63.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1013.648983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.648983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.648983 (E_RNA) where: Base-Base interactions energy: -669.412 where: short stacking energy: -327.010 Base-Backbone interact. energy: 0.553 local terms energy: -344.789933 where: bonds (distance) C4'-P energy: -67.072 bonds (distance) P-C4' energy: -72.159 flat angles C4'-P-C4' energy: -75.669 flat angles P-C4'-P energy: -43.355 tors. eta vs tors. theta energy: -86.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -735.679313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.679313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.679313 (E_RNA) where: Base-Base interactions energy: -392.422 where: short stacking energy: -261.319 Base-Backbone interact. energy: 0.380 local terms energy: -343.636684 where: bonds (distance) C4'-P energy: -64.834 bonds (distance) P-C4' energy: -71.098 flat angles C4'-P-C4' energy: -82.998 flat angles P-C4'-P energy: -56.712 tors. eta vs tors. theta energy: -67.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -883.301773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.301773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.301773 (E_RNA) where: Base-Base interactions energy: -584.761 where: short stacking energy: -275.236 Base-Backbone interact. energy: 3.268 local terms energy: -301.809055 where: bonds (distance) C4'-P energy: -58.924 bonds (distance) P-C4' energy: -71.424 flat angles C4'-P-C4' energy: -72.584 flat angles P-C4'-P energy: -40.682 tors. eta vs tors. theta energy: -58.195 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: 5, replica: 2 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -729.960697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.960697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.960697 (E_RNA) where: Base-Base interactions energy: -428.925 where: short stacking energy: -225.770 Base-Backbone interact. energy: -2.392 local terms energy: -298.643601 where: bonds (distance) C4'-P energy: -88.979 bonds (distance) P-C4' energy: -65.613 flat angles C4'-P-C4' energy: -73.008 flat angles P-C4'-P energy: -39.186 tors. eta vs tors. theta energy: -31.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -760.092971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.092971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.092971 (E_RNA) where: Base-Base interactions energy: -483.114 where: short stacking energy: -225.648 Base-Backbone interact. energy: -1.012 local terms energy: -275.967278 where: bonds (distance) C4'-P energy: -70.973 bonds (distance) P-C4' energy: -78.071 flat angles C4'-P-C4' energy: -63.119 flat angles P-C4'-P energy: -32.650 tors. eta vs tors. theta energy: -31.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -620.778211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.778211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.778211 (E_RNA) where: Base-Base interactions energy: -360.401 where: short stacking energy: -205.373 Base-Backbone interact. energy: -2.209 local terms energy: -258.168362 where: bonds (distance) C4'-P energy: -60.381 bonds (distance) P-C4' energy: -69.697 flat angles C4'-P-C4' energy: -58.369 flat angles P-C4'-P energy: -46.290 tors. eta vs tors. theta energy: -23.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -629.348424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.348424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.348424 (E_RNA) where: Base-Base interactions energy: -387.365 where: short stacking energy: -172.448 Base-Backbone interact. energy: 0.513 local terms energy: -242.496406 where: bonds (distance) C4'-P energy: -57.398 bonds (distance) P-C4' energy: -70.850 flat angles C4'-P-C4' energy: -59.992 flat angles P-C4'-P energy: -32.398 tors. eta vs tors. theta energy: -21.858 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: 4 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -423.617125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.617125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.617125 (E_RNA) where: Base-Base interactions energy: -219.935 where: short stacking energy: -117.936 Base-Backbone interact. energy: -0.702 local terms energy: -202.981012 where: bonds (distance) C4'-P energy: -52.776 bonds (distance) P-C4' energy: -66.986 flat angles C4'-P-C4' energy: -38.979 flat angles P-C4'-P energy: -35.003 tors. eta vs tors. theta energy: -9.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -408.573842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.573842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.573842 (E_RNA) where: Base-Base interactions energy: -209.266 where: short stacking energy: -138.439 Base-Backbone interact. energy: 1.555 local terms energy: -200.862036 where: bonds (distance) C4'-P energy: -61.738 bonds (distance) P-C4' energy: -37.551 flat angles C4'-P-C4' energy: -58.239 flat angles P-C4'-P energy: -27.654 tors. eta vs tors. theta energy: -15.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1079.172127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.172127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.172127 (E_RNA) where: Base-Base interactions energy: -713.118 where: short stacking energy: -312.675 Base-Backbone interact. energy: 0.413 local terms energy: -366.467427 where: bonds (distance) C4'-P energy: -79.226 bonds (distance) P-C4' energy: -73.293 flat angles C4'-P-C4' energy: -79.619 flat angles P-C4'-P energy: -59.223 tors. eta vs tors. theta energy: -75.106 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: 5 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1004.431770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.431770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.431770 (E_RNA) where: Base-Base interactions energy: -659.424 where: short stacking energy: -301.737 Base-Backbone interact. energy: -1.790 local terms energy: -343.217738 where: bonds (distance) C4'-P energy: -63.216 bonds (distance) P-C4' energy: -80.477 flat angles C4'-P-C4' energy: -86.956 flat angles P-C4'-P energy: -40.807 tors. eta vs tors. theta energy: -71.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -911.674940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.674940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.674940 (E_RNA) where: Base-Base interactions energy: -583.898 where: short stacking energy: -288.117 Base-Backbone interact. energy: -1.241 local terms energy: -326.536101 where: bonds (distance) C4'-P energy: -76.071 bonds (distance) P-C4' energy: -76.152 flat angles C4'-P-C4' energy: -70.055 flat angles P-C4'-P energy: -43.223 tors. eta vs tors. theta energy: -61.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -693.385173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.385173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.385173 (E_RNA) where: Base-Base interactions energy: -407.184 where: short stacking energy: -214.149 Base-Backbone interact. energy: -2.323 local terms energy: -283.878062 where: bonds (distance) C4'-P energy: -70.107 bonds (distance) P-C4' energy: -62.100 flat angles C4'-P-C4' energy: -80.119 flat angles P-C4'-P energy: -30.749 tors. eta vs tors. theta energy: -40.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -824.909514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.909514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.909514 (E_RNA) where: Base-Base interactions energy: -549.389 where: short stacking energy: -252.552 Base-Backbone interact. energy: -0.145 local terms energy: -275.376063 where: bonds (distance) C4'-P energy: -58.758 bonds (distance) P-C4' energy: -61.659 flat angles C4'-P-C4' energy: -67.684 flat angles P-C4'-P energy: -43.339 tors. eta vs tors. theta energy: -43.937 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: 6, replica: 2 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -719.845804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.845804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.845804 (E_RNA) where: Base-Base interactions energy: -441.610 where: short stacking energy: -248.346 Base-Backbone interact. energy: -0.678 local terms energy: -277.557796 where: bonds (distance) C4'-P energy: -71.830 bonds (distance) P-C4' energy: -71.434 flat angles C4'-P-C4' energy: -53.873 flat angles P-C4'-P energy: -29.708 tors. eta vs tors. theta energy: -50.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -691.491724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.491724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.491724 (E_RNA) where: Base-Base interactions energy: -437.971 where: short stacking energy: -166.454 Base-Backbone interact. energy: -2.758 local terms energy: -250.762717 where: bonds (distance) C4'-P energy: -56.832 bonds (distance) P-C4' energy: -63.500 flat angles C4'-P-C4' energy: -72.363 flat angles P-C4'-P energy: -35.567 tors. eta vs tors. theta energy: -22.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -584.534232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.534232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.534232 (E_RNA) where: Base-Base interactions energy: -320.921 where: short stacking energy: -140.392 Base-Backbone interact. energy: -2.669 local terms energy: -260.944687 where: bonds (distance) C4'-P energy: -67.686 bonds (distance) P-C4' energy: -69.838 flat angles C4'-P-C4' energy: -60.992 flat angles P-C4'-P energy: -38.992 tors. eta vs tors. theta energy: -23.437 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: 8 Temperature: 1.300000 Total energy: -491.407937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.407937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.407937 (E_RNA) where: Base-Base interactions energy: -264.501 where: short stacking energy: -128.888 Base-Backbone interact. energy: -1.094 local terms energy: -225.813103 where: bonds (distance) C4'-P energy: -59.796 bonds (distance) P-C4' energy: -73.114 flat angles C4'-P-C4' energy: -59.363 flat angles P-C4'-P energy: -25.690 tors. eta vs tors. theta energy: -7.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -365.803166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.803166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.803166 (E_RNA) where: Base-Base interactions energy: -165.103 where: short stacking energy: -102.256 Base-Backbone interact. energy: 2.574 local terms energy: -203.273747 where: bonds (distance) C4'-P energy: -61.674 bonds (distance) P-C4' energy: -69.809 flat angles C4'-P-C4' energy: -56.302 flat angles P-C4'-P energy: -24.932 tors. eta vs tors. theta energy: 9.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1104.657354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.657354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.657354 (E_RNA) where: Base-Base interactions energy: -726.469 where: short stacking energy: -333.709 Base-Backbone interact. energy: -0.985 local terms energy: -377.202639 where: bonds (distance) C4'-P energy: -73.796 bonds (distance) P-C4' energy: -81.009 flat angles C4'-P-C4' energy: -87.088 flat angles P-C4'-P energy: -49.920 tors. eta vs tors. theta energy: -85.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1051.613585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.613585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.613585 (E_RNA) where: Base-Base interactions energy: -690.527 where: short stacking energy: -293.442 Base-Backbone interact. energy: -0.789 local terms energy: -360.297797 where: bonds (distance) C4'-P energy: -77.741 bonds (distance) P-C4' energy: -74.855 flat angles C4'-P-C4' energy: -83.920 flat angles P-C4'-P energy: -50.750 tors. eta vs tors. theta energy: -73.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -918.439415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.439415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.439415 (E_RNA) where: Base-Base interactions energy: -599.053 where: short stacking energy: -283.049 Base-Backbone interact. energy: -1.539 local terms energy: -317.846791 where: bonds (distance) C4'-P energy: -76.101 bonds (distance) P-C4' energy: -71.835 flat angles C4'-P-C4' energy: -64.344 flat angles P-C4'-P energy: -43.527 tors. eta vs tors. theta energy: -62.040 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: 9 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -912.294860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.294860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.294860 (E_RNA) where: Base-Base interactions energy: -592.309 where: short stacking energy: -273.800 Base-Backbone interact. energy: -2.250 local terms energy: -317.736118 where: bonds (distance) C4'-P energy: -53.340 bonds (distance) P-C4' energy: -73.704 flat angles C4'-P-C4' energy: -81.515 flat angles P-C4'-P energy: -57.288 tors. eta vs tors. theta energy: -51.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -781.038900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.038900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.038900 (E_RNA) where: Base-Base interactions energy: -463.719 where: short stacking energy: -248.393 Base-Backbone interact. energy: -0.332 local terms energy: -316.988203 where: bonds (distance) C4'-P energy: -57.833 bonds (distance) P-C4' energy: -71.910 flat angles C4'-P-C4' energy: -78.599 flat angles P-C4'-P energy: -42.841 tors. eta vs tors. theta energy: -65.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -854.478323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.478323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.478323 (E_RNA) where: Base-Base interactions energy: -574.740 where: short stacking energy: -227.877 Base-Backbone interact. energy: -2.420 local terms energy: -277.318091 where: bonds (distance) C4'-P energy: -65.697 bonds (distance) P-C4' energy: -60.405 flat angles C4'-P-C4' energy: -74.175 flat angles P-C4'-P energy: -33.925 tors. eta vs tors. theta energy: -43.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -661.894421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.894421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.894421 (E_RNA) where: Base-Base interactions energy: -382.889 where: short stacking energy: -196.563 Base-Backbone interact. energy: 0.301 local terms energy: -279.306317 where: bonds (distance) C4'-P energy: -57.860 bonds (distance) P-C4' energy: -74.743 flat angles C4'-P-C4' energy: -70.995 flat angles P-C4'-P energy: -42.411 tors. eta vs tors. theta energy: -33.298 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: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -663.190309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.190309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.190309 (E_RNA) where: Base-Base interactions energy: -390.645 where: short stacking energy: -185.410 Base-Backbone interact. energy: -2.705 local terms energy: -269.839911 where: bonds (distance) C4'-P energy: -64.672 bonds (distance) P-C4' energy: -68.456 flat angles C4'-P-C4' energy: -62.836 flat angles P-C4'-P energy: -49.801 tors. eta vs tors. theta energy: -24.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -456.722750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.722750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.722750 (E_RNA) where: Base-Base interactions energy: -215.021 where: short stacking energy: -126.810 Base-Backbone interact. energy: -0.882 local terms energy: -240.819135 where: bonds (distance) C4'-P energy: -65.216 bonds (distance) P-C4' energy: -64.290 flat angles C4'-P-C4' energy: -63.205 flat angles P-C4'-P energy: -34.826 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: 10, replica: 4 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -304.968224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.968224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.968224 (E_RNA) where: Base-Base interactions energy: -99.305 where: short stacking energy: -66.009 Base-Backbone interact. energy: 0.064 local terms energy: -205.727215 where: bonds (distance) C4'-P energy: -66.433 bonds (distance) P-C4' energy: -66.702 flat angles C4'-P-C4' energy: -53.049 flat angles P-C4'-P energy: -35.868 tors. eta vs tors. theta energy: 16.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1149.370857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.370857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.370857 (E_RNA) where: Base-Base interactions energy: -750.880 where: short stacking energy: -350.437 Base-Backbone interact. energy: -0.870 local terms energy: -397.620806 where: bonds (distance) C4'-P energy: -79.093 bonds (distance) P-C4' energy: -85.917 flat angles C4'-P-C4' energy: -79.701 flat angles P-C4'-P energy: -54.462 tors. eta vs tors. theta energy: -98.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1083.718748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.718748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.718748 (E_RNA) where: Base-Base interactions energy: -738.380 where: short stacking energy: -325.927 Base-Backbone interact. energy: -1.144 local terms energy: -344.195339 where: bonds (distance) C4'-P energy: -74.584 bonds (distance) P-C4' energy: -73.628 flat angles C4'-P-C4' energy: -76.873 flat angles P-C4'-P energy: -43.148 tors. eta vs tors. theta energy: -75.963 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: 6 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -992.793033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.793033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.793033 (E_RNA) where: Base-Base interactions energy: -663.002 where: short stacking energy: -292.858 Base-Backbone interact. energy: -1.256 local terms energy: -328.535365 where: bonds (distance) C4'-P energy: -76.749 bonds (distance) P-C4' energy: -62.268 flat angles C4'-P-C4' energy: -85.532 flat angles P-C4'-P energy: -44.172 tors. eta vs tors. theta energy: -59.814 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: 9 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -912.316800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.316800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.316800 (E_RNA) where: Base-Base interactions energy: -589.863 where: short stacking energy: -275.998 Base-Backbone interact. energy: -0.160 local terms energy: -322.293495 where: bonds (distance) C4'-P energy: -67.291 bonds (distance) P-C4' energy: -76.420 flat angles C4'-P-C4' energy: -70.876 flat angles P-C4'-P energy: -46.340 tors. eta vs tors. theta energy: -61.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1003.879605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.879605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.879605 (E_RNA) where: Base-Base interactions energy: -697.288 where: short stacking energy: -301.143 Base-Backbone interact. energy: -0.860 local terms energy: -305.731934 where: bonds (distance) C4'-P energy: -60.558 bonds (distance) P-C4' energy: -47.186 flat angles C4'-P-C4' energy: -81.004 flat angles P-C4'-P energy: -46.849 tors. eta vs tors. theta energy: -70.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -820.155007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.155007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.155007 (E_RNA) where: Base-Base interactions energy: -546.617 where: short stacking energy: -231.911 Base-Backbone interact. energy: -1.579 local terms energy: -271.958666 where: bonds (distance) C4'-P energy: -61.009 bonds (distance) P-C4' energy: -64.619 flat angles C4'-P-C4' energy: -63.079 flat angles P-C4'-P energy: -39.529 tors. eta vs tors. theta energy: -43.724 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: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -783.325767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.325767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.325767 (E_RNA) where: Base-Base interactions energy: -497.425 where: short stacking energy: -246.292 Base-Backbone interact. energy: -1.279 local terms energy: -284.621730 where: bonds (distance) C4'-P energy: -49.233 bonds (distance) P-C4' energy: -66.774 flat angles C4'-P-C4' energy: -73.843 flat angles P-C4'-P energy: -45.318 tors. eta vs tors. theta energy: -49.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -610.246201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.246201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.246201 (E_RNA) where: Base-Base interactions energy: -341.010 where: short stacking energy: -174.265 Base-Backbone interact. energy: 0.071 local terms energy: -269.306416 where: bonds (distance) C4'-P energy: -68.524 bonds (distance) P-C4' energy: -73.002 flat angles C4'-P-C4' energy: -68.111 flat angles P-C4'-P energy: -40.228 tors. eta vs tors. theta energy: -19.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -529.831046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.831046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.831046 (E_RNA) where: Base-Base interactions energy: -305.799 where: short stacking energy: -153.953 Base-Backbone interact. energy: 1.544 local terms energy: -225.576333 where: bonds (distance) C4'-P energy: -59.083 bonds (distance) P-C4' energy: -64.923 flat angles C4'-P-C4' energy: -60.385 flat angles P-C4'-P energy: -29.436 tors. eta vs tors. theta energy: -11.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -304.930262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.930262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.930262 (E_RNA) where: Base-Base interactions energy: -102.874 where: short stacking energy: -81.753 Base-Backbone interact. energy: 0.558 local terms energy: -202.613499 where: bonds (distance) C4'-P energy: -74.796 bonds (distance) P-C4' energy: -77.166 flat angles C4'-P-C4' energy: -50.754 flat angles P-C4'-P energy: -16.963 tors. eta vs tors. theta energy: 17.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1125.836259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.836259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.836259 (E_RNA) where: Base-Base interactions energy: -760.401 where: short stacking energy: -327.954 Base-Backbone interact. energy: 0.151 local terms energy: -365.586381 where: bonds (distance) C4'-P energy: -75.573 bonds (distance) P-C4' energy: -83.687 flat angles C4'-P-C4' energy: -87.175 flat angles P-C4'-P energy: -42.098 tors. eta vs tors. theta energy: -77.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1132.875414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.875414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.875414 (E_RNA) where: Base-Base interactions energy: -748.326 where: short stacking energy: -323.897 Base-Backbone interact. energy: -3.228 local terms energy: -381.321609 where: bonds (distance) C4'-P energy: -64.787 bonds (distance) P-C4' energy: -84.555 flat angles C4'-P-C4' energy: -76.848 flat angles P-C4'-P energy: -64.706 tors. eta vs tors. theta energy: -90.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1031.255599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.255599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.255599 (E_RNA) where: Base-Base interactions energy: -711.835 where: short stacking energy: -308.982 Base-Backbone interact. energy: -0.099 local terms energy: -319.321774 where: bonds (distance) C4'-P energy: -68.226 bonds (distance) P-C4' energy: -71.511 flat angles C4'-P-C4' energy: -75.030 flat angles P-C4'-P energy: -42.894 tors. eta vs tors. theta energy: -61.661 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: 7 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1117.263426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.263426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.263426 (E_RNA) where: Base-Base interactions energy: -772.802 where: short stacking energy: -324.871 Base-Backbone interact. energy: -0.731 local terms energy: -343.730559 where: bonds (distance) C4'-P energy: -61.010 bonds (distance) P-C4' energy: -78.019 flat angles C4'-P-C4' energy: -75.516 flat angles P-C4'-P energy: -50.023 tors. eta vs tors. theta energy: -79.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -886.907401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.907401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.907401 (E_RNA) where: Base-Base interactions energy: -588.972 where: short stacking energy: -268.308 Base-Backbone interact. energy: -1.810 local terms energy: -296.125120 where: bonds (distance) C4'-P energy: -62.724 bonds (distance) P-C4' energy: -64.751 flat angles C4'-P-C4' energy: -74.967 flat angles P-C4'-P energy: -39.814 tors. eta vs tors. theta energy: -53.869 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: 1 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -756.257522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.257522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.257522 (E_RNA) where: Base-Base interactions energy: -481.312 where: short stacking energy: -204.407 Base-Backbone interact. energy: 2.768 local terms energy: -277.713840 where: bonds (distance) C4'-P energy: -57.930 bonds (distance) P-C4' energy: -75.365 flat angles C4'-P-C4' energy: -72.402 flat angles P-C4'-P energy: -40.524 tors. eta vs tors. theta energy: -31.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -807.072420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.072420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.072420 (E_RNA) where: Base-Base interactions energy: -513.864 where: short stacking energy: -224.021 Base-Backbone interact. energy: 0.109 local terms energy: -293.317699 where: bonds (distance) C4'-P energy: -75.764 bonds (distance) P-C4' energy: -52.718 flat angles C4'-P-C4' energy: -67.456 flat angles P-C4'-P energy: -55.248 tors. eta vs tors. theta energy: -42.132 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: 2 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -660.479896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.479896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.479896 (E_RNA) where: Base-Base interactions energy: -368.690 where: short stacking energy: -187.630 Base-Backbone interact. energy: 2.114 local terms energy: -293.903971 where: bonds (distance) C4'-P energy: -67.251 bonds (distance) P-C4' energy: -69.743 flat angles C4'-P-C4' energy: -70.738 flat angles P-C4'-P energy: -40.802 tors. eta vs tors. theta energy: -45.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -615.032490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.032490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.032490 (E_RNA) where: Base-Base interactions energy: -355.630 where: short stacking energy: -170.093 Base-Backbone interact. energy: -0.736 local terms energy: -258.666819 where: bonds (distance) C4'-P energy: -60.209 bonds (distance) P-C4' energy: -71.312 flat angles C4'-P-C4' energy: -58.237 flat angles P-C4'-P energy: -42.832 tors. eta vs tors. theta energy: -26.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -326.916689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.916689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.916689 (E_RNA) where: Base-Base interactions energy: -118.784 where: short stacking energy: -115.596 Base-Backbone interact. energy: -0.144 local terms energy: -207.989151 where: bonds (distance) C4'-P energy: -52.736 bonds (distance) P-C4' energy: -52.638 flat angles C4'-P-C4' energy: -57.665 flat angles P-C4'-P energy: -44.961 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: 1, replica: 5 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1184.379316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.379316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.379316 (E_RNA) where: Base-Base interactions energy: -813.387 where: short stacking energy: -348.808 Base-Backbone interact. energy: 0.519 local terms energy: -371.512217 where: bonds (distance) C4'-P energy: -70.126 bonds (distance) P-C4' energy: -73.553 flat angles C4'-P-C4' energy: -90.569 flat angles P-C4'-P energy: -48.099 tors. eta vs tors. theta energy: -89.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1123.016889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.016889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.016889 (E_RNA) where: Base-Base interactions energy: -750.371 where: short stacking energy: -341.042 Base-Backbone interact. energy: -0.778 local terms energy: -371.867302 where: bonds (distance) C4'-P energy: -78.945 bonds (distance) P-C4' energy: -77.501 flat angles C4'-P-C4' energy: -79.357 flat angles P-C4'-P energy: -47.713 tors. eta vs tors. theta energy: -88.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1182.376538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.376538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.376538 (E_RNA) where: Base-Base interactions energy: -831.557 where: short stacking energy: -336.694 Base-Backbone interact. energy: -0.007 local terms energy: -350.812336 where: bonds (distance) C4'-P energy: -72.100 bonds (distance) P-C4' energy: -62.647 flat angles C4'-P-C4' energy: -79.996 flat angles P-C4'-P energy: -55.954 tors. eta vs tors. theta energy: -80.116 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: 6 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1019.074170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.074170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.074170 (E_RNA) where: Base-Base interactions energy: -691.082 where: short stacking energy: -307.277 Base-Backbone interact. energy: -1.277 local terms energy: -326.715136 where: bonds (distance) C4'-P energy: -61.169 bonds (distance) P-C4' energy: -66.880 flat angles C4'-P-C4' energy: -79.752 flat angles P-C4'-P energy: -54.106 tors. eta vs tors. theta energy: -64.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -895.881045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.881045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.881045 (E_RNA) where: Base-Base interactions energy: -587.237 where: short stacking energy: -262.640 Base-Backbone interact. energy: 4.517 local terms energy: -313.160856 where: bonds (distance) C4'-P energy: -57.615 bonds (distance) P-C4' energy: -76.613 flat angles C4'-P-C4' energy: -72.256 flat angles P-C4'-P energy: -49.345 tors. eta vs tors. theta energy: -57.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -826.407825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.407825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.407825 (E_RNA) where: Base-Base interactions energy: -510.509 where: short stacking energy: -223.144 Base-Backbone interact. energy: 0.144 local terms energy: -316.042923 where: bonds (distance) C4'-P energy: -68.078 bonds (distance) P-C4' energy: -75.699 flat angles C4'-P-C4' energy: -75.339 flat angles P-C4'-P energy: -57.276 tors. eta vs tors. theta energy: -39.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -821.605256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.605256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.605256 (E_RNA) where: Base-Base interactions energy: -531.110 where: short stacking energy: -246.843 Base-Backbone interact. energy: 0.952 local terms energy: -291.447831 where: bonds (distance) C4'-P energy: -66.818 bonds (distance) P-C4' energy: -68.422 flat angles C4'-P-C4' energy: -69.016 flat angles P-C4'-P energy: -35.507 tors. eta vs tors. theta energy: -51.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -658.980787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.980787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.980787 (E_RNA) where: Base-Base interactions energy: -400.907 where: short stacking energy: -204.825 Base-Backbone interact. energy: -1.978 local terms energy: -256.095465 where: bonds (distance) C4'-P energy: -68.441 bonds (distance) P-C4' energy: -58.007 flat angles C4'-P-C4' energy: -56.819 flat angles P-C4'-P energy: -40.331 tors. eta vs tors. theta energy: -32.498 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: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -634.485765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.485765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.485765 (E_RNA) where: Base-Base interactions energy: -375.562 where: short stacking energy: -181.256 Base-Backbone interact. energy: -0.189 local terms energy: -258.734167 where: bonds (distance) C4'-P energy: -70.762 bonds (distance) P-C4' energy: -72.296 flat angles C4'-P-C4' energy: -57.474 flat angles P-C4'-P energy: -34.772 tors. eta vs tors. theta energy: -23.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -333.274244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.274244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.274244 (E_RNA) where: Base-Base interactions energy: -122.898 where: short stacking energy: -84.488 Base-Backbone interact. energy: -1.747 local terms energy: -208.629247 where: bonds (distance) C4'-P energy: -72.914 bonds (distance) P-C4' energy: -61.325 flat angles C4'-P-C4' energy: -40.576 flat angles P-C4'-P energy: -36.848 tors. eta vs tors. theta energy: 3.034 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: 5 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1199.459155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.459155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.459155 (E_RNA) where: Base-Base interactions energy: -819.882 where: short stacking energy: -356.772 Base-Backbone interact. energy: 0.167 local terms energy: -379.744102 where: bonds (distance) C4'-P energy: -75.829 bonds (distance) P-C4' energy: -80.197 flat angles C4'-P-C4' energy: -84.885 flat angles P-C4'-P energy: -51.402 tors. eta vs tors. theta energy: -87.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1320.281287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.281287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.281287 (E_RNA) where: Base-Base interactions energy: -952.542 where: short stacking energy: -386.048 Base-Backbone interact. energy: -0.413 local terms energy: -367.326322 where: bonds (distance) C4'-P energy: -73.312 bonds (distance) P-C4' energy: -70.245 flat angles C4'-P-C4' energy: -81.717 flat angles P-C4'-P energy: -55.433 tors. eta vs tors. theta energy: -86.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1087.730083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.730083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.730083 (E_RNA) where: Base-Base interactions energy: -714.822 where: short stacking energy: -325.345 Base-Backbone interact. energy: -1.294 local terms energy: -371.613908 where: bonds (distance) C4'-P energy: -79.267 bonds (distance) P-C4' energy: -72.348 flat angles C4'-P-C4' energy: -78.176 flat angles P-C4'-P energy: -54.702 tors. eta vs tors. theta energy: -87.121 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: 4, replica: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1063.924624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.924624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.924624 (E_RNA) where: Base-Base interactions energy: -722.705 where: short stacking energy: -298.288 Base-Backbone interact. energy: -1.339 local terms energy: -339.879737 where: bonds (distance) C4'-P energy: -71.738 bonds (distance) P-C4' energy: -76.346 flat angles C4'-P-C4' energy: -74.324 flat angles P-C4'-P energy: -48.863 tors. eta vs tors. theta energy: -68.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -897.048910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.048910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.048910 (E_RNA) where: Base-Base interactions energy: -602.799 where: short stacking energy: -273.572 Base-Backbone interact. energy: 0.513 local terms energy: -294.763061 where: bonds (distance) C4'-P energy: -74.686 bonds (distance) P-C4' energy: -71.900 flat angles C4'-P-C4' energy: -60.497 flat angles P-C4'-P energy: -45.472 tors. eta vs tors. theta energy: -42.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -971.252328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.252328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.252328 (E_RNA) where: Base-Base interactions energy: -655.532 where: short stacking energy: -295.375 Base-Backbone interact. energy: -0.867 local terms energy: -314.853199 where: bonds (distance) C4'-P energy: -51.291 bonds (distance) P-C4' energy: -68.946 flat angles C4'-P-C4' energy: -74.027 flat angles P-C4'-P energy: -54.835 tors. eta vs tors. theta energy: -65.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -789.906143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.906143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.906143 (E_RNA) where: Base-Base interactions energy: -507.412 where: short stacking energy: -213.644 Base-Backbone interact. energy: -1.094 local terms energy: -281.400501 where: bonds (distance) C4'-P energy: -63.033 bonds (distance) P-C4' energy: -81.798 flat angles C4'-P-C4' energy: -60.827 flat angles P-C4'-P energy: -35.039 tors. eta vs tors. theta energy: -40.703 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: 2 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -735.329202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.329202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.329202 (E_RNA) where: Base-Base interactions energy: -447.382 where: short stacking energy: -211.880 Base-Backbone interact. energy: -0.551 local terms energy: -287.396478 where: bonds (distance) C4'-P energy: -64.659 bonds (distance) P-C4' energy: -71.574 flat angles C4'-P-C4' energy: -74.041 flat angles P-C4'-P energy: -32.305 tors. eta vs tors. theta energy: -44.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -717.395036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.395036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.395036 (E_RNA) where: Base-Base interactions energy: -457.000 where: short stacking energy: -206.016 Base-Backbone interact. energy: 1.647 local terms energy: -262.041576 where: bonds (distance) C4'-P energy: -74.817 bonds (distance) P-C4' energy: -63.908 flat angles C4'-P-C4' energy: -66.408 flat angles P-C4'-P energy: -35.219 tors. eta vs tors. theta energy: -21.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -420.081325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.081325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.081325 (E_RNA) where: Base-Base interactions energy: -203.579 where: short stacking energy: -122.217 Base-Backbone interact. energy: 1.058 local terms energy: -217.560216 where: bonds (distance) C4'-P energy: -58.445 bonds (distance) P-C4' energy: -67.417 flat angles C4'-P-C4' energy: -50.954 flat angles P-C4'-P energy: -39.020 tors. eta vs tors. theta energy: -1.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1379.994487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.994487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.994487 (E_RNA) where: Base-Base interactions energy: -993.715 where: short stacking energy: -394.379 Base-Backbone interact. energy: 1.337 local terms energy: -387.615850 where: bonds (distance) C4'-P energy: -75.485 bonds (distance) P-C4' energy: -70.220 flat angles C4'-P-C4' energy: -89.400 flat angles P-C4'-P energy: -56.402 tors. eta vs tors. theta energy: -96.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1172.666313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.666313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.666313 (E_RNA) where: Base-Base interactions energy: -819.589 where: short stacking energy: -357.104 Base-Backbone interact. energy: -1.009 local terms energy: -352.068226 where: bonds (distance) C4'-P energy: -69.054 bonds (distance) P-C4' energy: -67.551 flat angles C4'-P-C4' energy: -78.372 flat angles P-C4'-P energy: -47.137 tors. eta vs tors. theta energy: -89.954 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: 6 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1102.118912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.118912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.118912 (E_RNA) where: Base-Base interactions energy: -745.519 where: short stacking energy: -301.539 Base-Backbone interact. energy: -5.217 local terms energy: -351.382344 where: bonds (distance) C4'-P energy: -77.448 bonds (distance) P-C4' energy: -74.809 flat angles C4'-P-C4' energy: -76.103 flat angles P-C4'-P energy: -41.358 tors. eta vs tors. theta energy: -81.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1031.531241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.531241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.531241 (E_RNA) where: Base-Base interactions energy: -687.834 where: short stacking energy: -318.213 Base-Backbone interact. energy: 1.225 local terms energy: -344.922217 where: bonds (distance) C4'-P energy: -70.441 bonds (distance) P-C4' energy: -69.224 flat angles C4'-P-C4' energy: -75.259 flat angles P-C4'-P energy: -52.087 tors. eta vs tors. theta energy: -77.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -931.380892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.380892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.380892 (E_RNA) where: Base-Base interactions energy: -613.140 where: short stacking energy: -277.285 Base-Backbone interact. energy: 0.673 local terms energy: -318.913838 where: bonds (distance) C4'-P energy: -61.705 bonds (distance) P-C4' energy: -74.324 flat angles C4'-P-C4' energy: -74.807 flat angles P-C4'-P energy: -51.288 tors. eta vs tors. theta energy: -56.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1034.903871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.903871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.903871 (E_RNA) where: Base-Base interactions energy: -720.353 where: short stacking energy: -299.300 Base-Backbone interact. energy: 1.333 local terms energy: -315.883749 where: bonds (distance) C4'-P energy: -60.875 bonds (distance) P-C4' energy: -60.670 flat angles C4'-P-C4' energy: -78.253 flat angles P-C4'-P energy: -48.776 tors. eta vs tors. theta energy: -67.310 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: 1 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -784.231406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.231406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.231406 (E_RNA) where: Base-Base interactions energy: -477.596 where: short stacking energy: -227.400 Base-Backbone interact. energy: 1.097 local terms energy: -307.732331 where: bonds (distance) C4'-P energy: -68.402 bonds (distance) P-C4' energy: -59.770 flat angles C4'-P-C4' energy: -75.975 flat angles P-C4'-P energy: -50.029 tors. eta vs tors. theta energy: -53.557 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: 2 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -775.421548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.421548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.421548 (E_RNA) where: Base-Base interactions energy: -482.087 where: short stacking energy: -235.918 Base-Backbone interact. energy: -0.217 local terms energy: -293.117020 where: bonds (distance) C4'-P energy: -57.869 bonds (distance) P-C4' energy: -75.336 flat angles C4'-P-C4' energy: -60.260 flat angles P-C4'-P energy: -44.355 tors. eta vs tors. theta energy: -55.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -664.291752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.291752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.291752 (E_RNA) where: Base-Base interactions energy: -401.261 where: short stacking energy: -181.187 Base-Backbone interact. energy: -1.016 local terms energy: -262.014001 where: bonds (distance) C4'-P energy: -49.221 bonds (distance) P-C4' energy: -75.822 flat angles C4'-P-C4' energy: -64.887 flat angles P-C4'-P energy: -47.187 tors. eta vs tors. theta energy: -24.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -394.673529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.673529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.673529 (E_RNA) where: Base-Base interactions energy: -205.820 where: short stacking energy: -105.239 Base-Backbone interact. energy: -0.567 local terms energy: -188.286552 where: bonds (distance) C4'-P energy: -63.021 bonds (distance) P-C4' energy: -60.646 flat angles C4'-P-C4' energy: -54.662 flat angles P-C4'-P energy: -14.646 tors. eta vs tors. theta energy: 4.689 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: 1, replica: 7 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1396.816110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.816110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.816110 (E_RNA) where: Base-Base interactions energy: -996.039 where: short stacking energy: -398.653 Base-Backbone interact. energy: 0.780 local terms energy: -401.557226 where: bonds (distance) C4'-P energy: -83.200 bonds (distance) P-C4' energy: -81.305 flat angles C4'-P-C4' energy: -81.283 flat angles P-C4'-P energy: -60.046 tors. eta vs tors. theta energy: -95.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1197.065770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.065770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.065770 (E_RNA) where: Base-Base interactions energy: -830.156 where: short stacking energy: -349.518 Base-Backbone interact. energy: -1.765 local terms energy: -365.144505 where: bonds (distance) C4'-P energy: -73.483 bonds (distance) P-C4' energy: -83.277 flat angles C4'-P-C4' energy: -73.892 flat angles P-C4'-P energy: -50.960 tors. eta vs tors. theta energy: -83.533 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: 15 Temperature: 1.000000 Total energy: -1113.611976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.611976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.611976 (E_RNA) where: Base-Base interactions energy: -788.418 where: short stacking energy: -323.657 Base-Backbone interact. energy: -2.632 local terms energy: -322.561816 where: bonds (distance) C4'-P energy: -59.636 bonds (distance) P-C4' energy: -76.321 flat angles C4'-P-C4' energy: -73.049 flat angles P-C4'-P energy: -36.188 tors. eta vs tors. theta energy: -77.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1042.687955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.687955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.687955 (E_RNA) where: Base-Base interactions energy: -707.130 where: short stacking energy: -321.658 Base-Backbone interact. energy: -1.079 local terms energy: -334.478591 where: bonds (distance) C4'-P energy: -65.147 bonds (distance) P-C4' energy: -78.125 flat angles C4'-P-C4' energy: -72.607 flat angles P-C4'-P energy: -46.420 tors. eta vs tors. theta energy: -72.179 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: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -977.812569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.812569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.812569 (E_RNA) where: Base-Base interactions energy: -659.009 where: short stacking energy: -270.502 Base-Backbone interact. energy: 0.638 local terms energy: -319.441647 where: bonds (distance) C4'-P energy: -75.619 bonds (distance) P-C4' energy: -73.671 flat angles C4'-P-C4' energy: -68.821 flat angles P-C4'-P energy: -46.630 tors. eta vs tors. theta energy: -54.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1033.006131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.006131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.006131 (E_RNA) where: Base-Base interactions energy: -707.514 where: short stacking energy: -284.900 Base-Backbone interact. energy: 0.026 local terms energy: -325.518200 where: bonds (distance) C4'-P energy: -63.041 bonds (distance) P-C4' energy: -73.039 flat angles C4'-P-C4' energy: -77.866 flat angles P-C4'-P energy: -35.624 tors. eta vs tors. theta energy: -75.949 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: 1 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -811.522774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.522774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.522774 (E_RNA) where: Base-Base interactions energy: -546.337 where: short stacking energy: -235.788 Base-Backbone interact. energy: 0.710 local terms energy: -265.895355 where: bonds (distance) C4'-P energy: -51.589 bonds (distance) P-C4' energy: -69.981 flat angles C4'-P-C4' energy: -61.658 flat angles P-C4'-P energy: -50.763 tors. eta vs tors. theta energy: -31.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -852.789475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.789475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.789475 (E_RNA) where: Base-Base interactions energy: -573.741 where: short stacking energy: -241.370 Base-Backbone interact. energy: -0.978 local terms energy: -278.070197 where: bonds (distance) C4'-P energy: -58.444 bonds (distance) P-C4' energy: -67.593 flat angles C4'-P-C4' energy: -64.669 flat angles P-C4'-P energy: -36.633 tors. eta vs tors. theta energy: -50.731 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: 15 Temperature: 1.300000 Total energy: -724.070219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.070219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.070219 (E_RNA) where: Base-Base interactions energy: -465.902 where: short stacking energy: -205.582 Base-Backbone interact. energy: -1.153 local terms energy: -257.016016 where: bonds (distance) C4'-P energy: -52.660 bonds (distance) P-C4' energy: -67.934 flat angles C4'-P-C4' energy: -59.831 flat angles P-C4'-P energy: -42.484 tors. eta vs tors. theta energy: -34.106 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: 4 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -375.439594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.439594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.439594 (E_RNA) where: Base-Base interactions energy: -186.533 where: short stacking energy: -96.770 Base-Backbone interact. energy: 3.185 local terms energy: -192.091849 where: bonds (distance) C4'-P energy: -67.932 bonds (distance) P-C4' energy: -68.906 flat angles C4'-P-C4' energy: -32.928 flat angles P-C4'-P energy: -33.788 tors. eta vs tors. theta energy: 11.463 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: 7 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1396.725426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.725426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.725426 (E_RNA) where: Base-Base interactions energy: -991.917 where: short stacking energy: -391.857 Base-Backbone interact. energy: 0.087 local terms energy: -404.895878 where: bonds (distance) C4'-P energy: -74.815 bonds (distance) P-C4' energy: -80.530 flat angles C4'-P-C4' energy: -84.722 flat angles P-C4'-P energy: -58.177 tors. eta vs tors. theta energy: -106.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1206.075693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.075693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.075693 (E_RNA) where: Base-Base interactions energy: -843.015 where: short stacking energy: -364.292 Base-Backbone interact. energy: 0.063 local terms energy: -363.123323 where: bonds (distance) C4'-P energy: -62.349 bonds (distance) P-C4' energy: -75.381 flat angles C4'-P-C4' energy: -81.483 flat angles P-C4'-P energy: -48.117 tors. eta vs tors. theta energy: -95.793 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: 3 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1105.679907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.679907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.679907 (E_RNA) where: Base-Base interactions energy: -750.322 where: short stacking energy: -332.970 Base-Backbone interact. energy: -1.115 local terms energy: -354.243591 where: bonds (distance) C4'-P energy: -70.167 bonds (distance) P-C4' energy: -75.058 flat angles C4'-P-C4' energy: -82.303 flat angles P-C4'-P energy: -42.350 tors. eta vs tors. theta energy: -84.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1063.407420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.407420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.407420 (E_RNA) where: Base-Base interactions energy: -728.198 where: short stacking energy: -290.885 Base-Backbone interact. energy: -4.274 local terms energy: -330.935811 where: bonds (distance) C4'-P energy: -71.627 bonds (distance) P-C4' energy: -62.848 flat angles C4'-P-C4' energy: -80.955 flat angles P-C4'-P energy: -47.565 tors. eta vs tors. theta energy: -67.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1088.073703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.073703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.073703 (E_RNA) where: Base-Base interactions energy: -742.459 where: short stacking energy: -304.161 Base-Backbone interact. energy: -2.086 local terms energy: -343.528974 where: bonds (distance) C4'-P energy: -67.462 bonds (distance) P-C4' energy: -69.096 flat angles C4'-P-C4' energy: -76.350 flat angles P-C4'-P energy: -56.218 tors. eta vs tors. theta energy: -74.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -936.226165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.226165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.226165 (E_RNA) where: Base-Base interactions energy: -644.978 where: short stacking energy: -269.258 Base-Backbone interact. energy: 0.806 local terms energy: -292.054068 where: bonds (distance) C4'-P energy: -61.977 bonds (distance) P-C4' energy: -67.809 flat angles C4'-P-C4' energy: -70.340 flat angles P-C4'-P energy: -47.704 tors. eta vs tors. theta energy: -44.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -999.441411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.441411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.441411 (E_RNA) where: Base-Base interactions energy: -690.391 where: short stacking energy: -284.241 Base-Backbone interact. energy: -0.482 local terms energy: -308.568484 where: bonds (distance) C4'-P energy: -63.781 bonds (distance) P-C4' energy: -70.266 flat angles C4'-P-C4' energy: -73.026 flat angles P-C4'-P energy: -32.409 tors. eta vs tors. theta energy: -69.087 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: 1 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -790.978030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.978030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.978030 (E_RNA) where: Base-Base interactions energy: -504.334 where: short stacking energy: -210.400 Base-Backbone interact. energy: 1.501 local terms energy: -288.145614 where: bonds (distance) C4'-P energy: -78.141 bonds (distance) P-C4' energy: -55.676 flat angles C4'-P-C4' energy: -49.626 flat angles P-C4'-P energy: -47.939 tors. eta vs tors. theta energy: -56.764 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: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -736.717379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.717379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.717379 (E_RNA) where: Base-Base interactions energy: -474.449 where: short stacking energy: -205.049 Base-Backbone interact. energy: 1.725 local terms energy: -263.993435 where: bonds (distance) C4'-P energy: -53.892 bonds (distance) P-C4' energy: -73.744 flat angles C4'-P-C4' energy: -49.867 flat angles P-C4'-P energy: -46.305 tors. eta vs tors. theta energy: -40.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -416.604394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.604394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.604394 (E_RNA) where: Base-Base interactions energy: -201.709 where: short stacking energy: -112.499 Base-Backbone interact. energy: 8.496 local terms energy: -223.390749 where: bonds (distance) C4'-P energy: -67.230 bonds (distance) P-C4' energy: -52.725 flat angles C4'-P-C4' energy: -66.940 flat angles P-C4'-P energy: -44.027 tors. eta vs tors. theta energy: 7.531 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: 7 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1397.905658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.905658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.905658 (E_RNA) where: Base-Base interactions energy: -980.737 where: short stacking energy: -397.068 Base-Backbone interact. energy: -2.078 local terms energy: -415.090457 where: bonds (distance) C4'-P energy: -82.464 bonds (distance) P-C4' energy: -81.020 flat angles C4'-P-C4' energy: -84.547 flat angles P-C4'-P energy: -59.380 tors. eta vs tors. theta energy: -107.678 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: 5 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1253.644963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.644963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.644963 (E_RNA) where: Base-Base interactions energy: -877.105 where: short stacking energy: -362.979 Base-Backbone interact. energy: 0.732 local terms energy: -377.271620 where: bonds (distance) C4'-P energy: -77.793 bonds (distance) P-C4' energy: -71.342 flat angles C4'-P-C4' energy: -76.379 flat angles P-C4'-P energy: -54.765 tors. eta vs tors. theta energy: -96.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1106.113898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.113898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.113898 (E_RNA) where: Base-Base interactions energy: -742.872 where: short stacking energy: -311.952 Base-Backbone interact. energy: -1.047 local terms energy: -362.195339 where: bonds (distance) C4'-P energy: -72.998 bonds (distance) P-C4' energy: -73.335 flat angles C4'-P-C4' energy: -72.704 flat angles P-C4'-P energy: -53.739 tors. eta vs tors. theta energy: -89.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1210.914070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.914070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.914070 (E_RNA) where: Base-Base interactions energy: -843.296 where: short stacking energy: -342.002 Base-Backbone interact. energy: 0.472 local terms energy: -368.089578 where: bonds (distance) C4'-P energy: -72.433 bonds (distance) P-C4' energy: -74.453 flat angles C4'-P-C4' energy: -82.438 flat angles P-C4'-P energy: -49.036 tors. eta vs tors. theta energy: -89.730 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: 5, replica: 6 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1035.766457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.766457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.766457 (E_RNA) where: Base-Base interactions energy: -711.832 where: short stacking energy: -306.070 Base-Backbone interact. energy: -0.712 local terms energy: -323.222434 where: bonds (distance) C4'-P energy: -68.169 bonds (distance) P-C4' energy: -68.552 flat angles C4'-P-C4' energy: -68.882 flat angles P-C4'-P energy: -41.838 tors. eta vs tors. theta energy: -75.781 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: 2 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1046.479647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.479647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.479647 (E_RNA) where: Base-Base interactions energy: -711.349 where: short stacking energy: -292.438 Base-Backbone interact. energy: -0.558 local terms energy: -334.573474 where: bonds (distance) C4'-P energy: -62.491 bonds (distance) P-C4' energy: -73.605 flat angles C4'-P-C4' energy: -74.078 flat angles P-C4'-P energy: -53.228 tors. eta vs tors. theta energy: -71.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -917.939341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.939341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.939341 (E_RNA) where: Base-Base interactions energy: -639.528 where: short stacking energy: -277.031 Base-Backbone interact. energy: 0.273 local terms energy: -278.683860 where: bonds (distance) C4'-P energy: -68.677 bonds (distance) P-C4' energy: -56.770 flat angles C4'-P-C4' energy: -72.181 flat angles P-C4'-P energy: -23.820 tors. eta vs tors. theta energy: -57.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -780.307396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.307396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.307396 (E_RNA) where: Base-Base interactions energy: -488.395 where: short stacking energy: -225.354 Base-Backbone interact. energy: -1.210 local terms energy: -290.702450 where: bonds (distance) C4'-P energy: -62.939 bonds (distance) P-C4' energy: -78.460 flat angles C4'-P-C4' energy: -62.074 flat angles P-C4'-P energy: -49.103 tors. eta vs tors. theta energy: -38.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -843.438700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.438700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.438700 (E_RNA) where: Base-Base interactions energy: -565.816 where: short stacking energy: -249.498 Base-Backbone interact. energy: -0.814 local terms energy: -276.808147 where: bonds (distance) C4'-P energy: -57.280 bonds (distance) P-C4' energy: -57.195 flat angles C4'-P-C4' energy: -62.498 flat angles P-C4'-P energy: -46.537 tors. eta vs tors. theta energy: -53.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -452.213315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.213315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.213315 (E_RNA) where: Base-Base interactions energy: -238.212 where: short stacking energy: -127.104 Base-Backbone interact. energy: 2.322 local terms energy: -216.323639 where: bonds (distance) C4'-P energy: -65.720 bonds (distance) P-C4' energy: -60.747 flat angles C4'-P-C4' energy: -65.831 flat angles P-C4'-P energy: -23.395 tors. eta vs tors. theta energy: -0.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1393.696603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.696603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.696603 (E_RNA) where: Base-Base interactions energy: -988.772 where: short stacking energy: -408.262 Base-Backbone interact. energy: -0.025 local terms energy: -404.899782 where: bonds (distance) C4'-P energy: -64.212 bonds (distance) P-C4' energy: -73.476 flat angles C4'-P-C4' energy: -89.127 flat angles P-C4'-P energy: -64.806 tors. eta vs tors. theta energy: -113.280 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: 18 Temperature: 0.950000 Total energy: -1269.215130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.215130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.215130 (E_RNA) where: Base-Base interactions energy: -890.680 where: short stacking energy: -373.658 Base-Backbone interact. energy: 0.108 local terms energy: -378.642709 where: bonds (distance) C4'-P energy: -67.171 bonds (distance) P-C4' energy: -70.606 flat angles C4'-P-C4' energy: -84.435 flat angles P-C4'-P energy: -53.911 tors. eta vs tors. theta energy: -102.520 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: 8 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1212.052692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.052692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.052692 (E_RNA) where: Base-Base interactions energy: -834.747 where: short stacking energy: -348.176 Base-Backbone interact. energy: -0.089 local terms energy: -377.216778 where: bonds (distance) C4'-P energy: -70.506 bonds (distance) P-C4' energy: -67.158 flat angles C4'-P-C4' energy: -79.049 flat angles P-C4'-P energy: -60.958 tors. eta vs tors. theta energy: -99.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1136.556076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.556076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.556076 (E_RNA) where: Base-Base interactions energy: -776.143 where: short stacking energy: -347.193 Base-Backbone interact. energy: 1.853 local terms energy: -362.266143 where: bonds (distance) C4'-P energy: -67.823 bonds (distance) P-C4' energy: -71.884 flat angles C4'-P-C4' energy: -81.148 flat angles P-C4'-P energy: -50.821 tors. eta vs tors. theta energy: -90.591 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: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1099.147088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.147088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.147088 (E_RNA) where: Base-Base interactions energy: -761.675 where: short stacking energy: -330.630 Base-Backbone interact. energy: -0.597 local terms energy: -336.875301 where: bonds (distance) C4'-P energy: -69.503 bonds (distance) P-C4' energy: -72.357 flat angles C4'-P-C4' energy: -74.589 flat angles P-C4'-P energy: -38.585 tors. eta vs tors. theta energy: -81.841 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: 18 Temperature: 1.150000 Total energy: -966.653307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.653307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.653307 (E_RNA) where: Base-Base interactions energy: -641.582 where: short stacking energy: -270.050 Base-Backbone interact. energy: 1.533 local terms energy: -326.604277 where: bonds (distance) C4'-P energy: -79.294 bonds (distance) P-C4' energy: -64.369 flat angles C4'-P-C4' energy: -71.485 flat angles P-C4'-P energy: -51.464 tors. eta vs tors. theta energy: -59.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -867.656288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.656288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.656288 (E_RNA) where: Base-Base interactions energy: -577.280 where: short stacking energy: -235.685 Base-Backbone interact. energy: -0.502 local terms energy: -289.875034 where: bonds (distance) C4'-P energy: -61.501 bonds (distance) P-C4' energy: -61.963 flat angles C4'-P-C4' energy: -62.903 flat angles P-C4'-P energy: -48.641 tors. eta vs tors. theta energy: -54.867 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: 8, replica: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -813.881656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.881656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.881656 (E_RNA) where: Base-Base interactions energy: -524.832 where: short stacking energy: -242.527 Base-Backbone interact. energy: -1.163 local terms energy: -287.887533 where: bonds (distance) C4'-P energy: -65.654 bonds (distance) P-C4' energy: -73.181 flat angles C4'-P-C4' energy: -62.287 flat angles P-C4'-P energy: -41.403 tors. eta vs tors. theta energy: -45.363 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: 1 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -840.198935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.198935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.198935 (E_RNA) where: Base-Base interactions energy: -578.296 where: short stacking energy: -252.417 Base-Backbone interact. energy: 1.479 local terms energy: -263.381851 where: bonds (distance) C4'-P energy: -43.204 bonds (distance) P-C4' energy: -63.359 flat angles C4'-P-C4' energy: -74.250 flat angles P-C4'-P energy: -33.437 tors. eta vs tors. theta energy: -49.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -480.975501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.975501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.975501 (E_RNA) where: Base-Base interactions energy: -264.756 where: short stacking energy: -144.357 Base-Backbone interact. energy: 1.095 local terms energy: -217.314787 where: bonds (distance) C4'-P energy: -60.237 bonds (distance) P-C4' energy: -64.735 flat angles C4'-P-C4' energy: -59.104 flat angles P-C4'-P energy: -19.981 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: 1, replica: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1394.037773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.037773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.037773 (E_RNA) where: Base-Base interactions energy: -991.017 where: short stacking energy: -403.045 Base-Backbone interact. energy: 1.194 local terms energy: -404.214623 where: bonds (distance) C4'-P energy: -75.912 bonds (distance) P-C4' energy: -75.339 flat angles C4'-P-C4' energy: -89.488 flat angles P-C4'-P energy: -58.882 tors. eta vs tors. theta energy: -104.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1272.523093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.523093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.523093 (E_RNA) where: Base-Base interactions energy: -889.216 where: short stacking energy: -351.381 Base-Backbone interact. energy: 0.831 local terms energy: -384.137445 where: bonds (distance) C4'-P energy: -70.669 bonds (distance) P-C4' energy: -77.377 flat angles C4'-P-C4' energy: -86.295 flat angles P-C4'-P energy: -53.079 tors. eta vs tors. theta energy: -96.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1327.417029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.417029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.417029 (E_RNA) where: Base-Base interactions energy: -942.348 where: short stacking energy: -387.054 Base-Backbone interact. energy: -0.331 local terms energy: -384.737876 where: bonds (distance) C4'-P energy: -77.784 bonds (distance) P-C4' energy: -74.706 flat angles C4'-P-C4' energy: -79.235 flat angles P-C4'-P energy: -50.207 tors. eta vs tors. theta energy: -102.806 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: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1145.165006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.165006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.165006 (E_RNA) where: Base-Base interactions energy: -770.541 where: short stacking energy: -324.024 Base-Backbone interact. energy: -1.712 local terms energy: -372.911627 where: bonds (distance) C4'-P energy: -71.142 bonds (distance) P-C4' energy: -79.934 flat angles C4'-P-C4' energy: -86.457 flat angles P-C4'-P energy: -57.986 tors. eta vs tors. theta energy: -77.392 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: 19 Temperature: 1.100000 Total energy: -1066.388181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.388181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.388181 (E_RNA) where: Base-Base interactions energy: -751.201 where: short stacking energy: -327.513 Base-Backbone interact. energy: 3.388 local terms energy: -318.574356 where: bonds (distance) C4'-P energy: -74.206 bonds (distance) P-C4' energy: -56.351 flat angles C4'-P-C4' energy: -67.096 flat angles P-C4'-P energy: -43.179 tors. eta vs tors. theta energy: -77.743 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: 6, replica: 6 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -976.518457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.518457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.518457 (E_RNA) where: Base-Base interactions energy: -683.990 where: short stacking energy: -283.974 Base-Backbone interact. energy: 1.208 local terms energy: -293.737347 where: bonds (distance) C4'-P energy: -66.447 bonds (distance) P-C4' energy: -58.202 flat angles C4'-P-C4' energy: -69.135 flat angles P-C4'-P energy: -50.109 tors. eta vs tors. theta energy: -49.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -904.467108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.467108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.467108 (E_RNA) where: Base-Base interactions energy: -594.237 where: short stacking energy: -255.571 Base-Backbone interact. energy: -1.668 local terms energy: -308.561420 where: bonds (distance) C4'-P energy: -64.633 bonds (distance) P-C4' energy: -74.438 flat angles C4'-P-C4' energy: -64.383 flat angles P-C4'-P energy: -49.447 tors. eta vs tors. theta energy: -55.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -912.664935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.664935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.664935 (E_RNA) where: Base-Base interactions energy: -608.926 where: short stacking energy: -269.265 Base-Backbone interact. energy: -0.718 local terms energy: -303.020768 where: bonds (distance) C4'-P energy: -49.615 bonds (distance) P-C4' energy: -72.599 flat angles C4'-P-C4' energy: -73.807 flat angles P-C4'-P energy: -38.037 tors. eta vs tors. theta energy: -68.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -746.483183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.483183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.483183 (E_RNA) where: Base-Base interactions energy: -499.162 where: short stacking energy: -216.651 Base-Backbone interact. energy: 0.997 local terms energy: -248.317969 where: bonds (distance) C4'-P energy: -61.317 bonds (distance) P-C4' energy: -68.529 flat angles C4'-P-C4' energy: -49.745 flat angles P-C4'-P energy: -34.620 tors. eta vs tors. theta energy: -34.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -508.747110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.747110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.747110 (E_RNA) where: Base-Base interactions energy: -269.720 where: short stacking energy: -130.690 Base-Backbone interact. energy: -0.133 local terms energy: -238.894639 where: bonds (distance) C4'-P energy: -61.376 bonds (distance) P-C4' energy: -66.822 flat angles C4'-P-C4' energy: -57.749 flat angles P-C4'-P energy: -44.042 tors. eta vs tors. theta energy: -8.906 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: 1, replica: 7 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1390.933458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.933458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.933458 (E_RNA) where: Base-Base interactions energy: -983.326 where: short stacking energy: -385.755 Base-Backbone interact. energy: -0.671 local terms energy: -406.937091 where: bonds (distance) C4'-P energy: -76.702 bonds (distance) P-C4' energy: -83.424 flat angles C4'-P-C4' energy: -89.574 flat angles P-C4'-P energy: -59.177 tors. eta vs tors. theta energy: -98.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1256.940989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.940989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.940989 (E_RNA) where: Base-Base interactions energy: -846.587 where: short stacking energy: -378.036 Base-Backbone interact. energy: -1.221 local terms energy: -409.133171 where: bonds (distance) C4'-P energy: -77.503 bonds (distance) P-C4' energy: -77.368 flat angles C4'-P-C4' energy: -88.842 flat angles P-C4'-P energy: -62.860 tors. eta vs tors. theta energy: -102.560 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: 8 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1375.150269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.150269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.150269 (E_RNA) where: Base-Base interactions energy: -987.630 where: short stacking energy: -403.609 Base-Backbone interact. energy: -1.090 local terms energy: -386.430624 where: bonds (distance) C4'-P energy: -79.876 bonds (distance) P-C4' energy: -68.898 flat angles C4'-P-C4' energy: -82.966 flat angles P-C4'-P energy: -46.498 tors. eta vs tors. theta energy: -108.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1143.561236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.561236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.561236 (E_RNA) where: Base-Base interactions energy: -767.230 where: short stacking energy: -334.623 Base-Backbone interact. energy: 1.458 local terms energy: -377.789219 where: bonds (distance) C4'-P energy: -73.281 bonds (distance) P-C4' energy: -77.991 flat angles C4'-P-C4' energy: -81.529 flat angles P-C4'-P energy: -58.438 tors. eta vs tors. theta energy: -86.550 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: 3 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1078.207785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.207785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.207785 (E_RNA) where: Base-Base interactions energy: -743.838 where: short stacking energy: -313.414 Base-Backbone interact. energy: -2.840 local terms energy: -331.529831 where: bonds (distance) C4'-P energy: -65.529 bonds (distance) P-C4' energy: -59.055 flat angles C4'-P-C4' energy: -76.380 flat angles P-C4'-P energy: -51.366 tors. eta vs tors. theta energy: -79.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1004.861174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.861174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.861174 (E_RNA) where: Base-Base interactions energy: -684.163 where: short stacking energy: -284.028 Base-Backbone interact. energy: -0.507 local terms energy: -320.190907 where: bonds (distance) C4'-P energy: -53.301 bonds (distance) P-C4' energy: -72.953 flat angles C4'-P-C4' energy: -80.802 flat angles P-C4'-P energy: -48.864 tors. eta vs tors. theta energy: -64.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -966.133775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.133775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.133775 (E_RNA) where: Base-Base interactions energy: -653.775 where: short stacking energy: -289.201 Base-Backbone interact. energy: -1.247 local terms energy: -311.111369 where: bonds (distance) C4'-P energy: -66.664 bonds (distance) P-C4' energy: -64.842 flat angles C4'-P-C4' energy: -62.087 flat angles P-C4'-P energy: -45.131 tors. eta vs tors. theta energy: -72.388 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: 9 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -897.081917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.081917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.081917 (E_RNA) where: Base-Base interactions energy: -591.442 where: short stacking energy: -253.424 Base-Backbone interact. energy: -0.756 local terms energy: -304.883828 where: bonds (distance) C4'-P energy: -59.823 bonds (distance) P-C4' energy: -61.302 flat angles C4'-P-C4' energy: -85.826 flat angles P-C4'-P energy: -42.651 tors. eta vs tors. theta energy: -55.281 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: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -728.797868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.797868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.797868 (E_RNA) where: Base-Base interactions energy: -454.931 where: short stacking energy: -192.439 Base-Backbone interact. energy: -0.797 local terms energy: -273.070221 where: bonds (distance) C4'-P energy: -65.437 bonds (distance) P-C4' energy: -64.059 flat angles C4'-P-C4' energy: -65.980 flat angles P-C4'-P energy: -37.310 tors. eta vs tors. theta energy: -40.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -558.466316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.466316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.466316 (E_RNA) where: Base-Base interactions energy: -318.181 where: short stacking energy: -148.608 Base-Backbone interact. energy: 1.392 local terms energy: -241.676791 where: bonds (distance) C4'-P energy: -57.451 bonds (distance) P-C4' energy: -62.902 flat angles C4'-P-C4' energy: -55.687 flat angles P-C4'-P energy: -54.266 tors. eta vs tors. theta energy: -11.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1415.795024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.795024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.795024 (E_RNA) where: Base-Base interactions energy: -1035.300 where: short stacking energy: -411.028 Base-Backbone interact. energy: 1.611 local terms energy: -382.106015 where: bonds (distance) C4'-P energy: -74.439 bonds (distance) P-C4' energy: -77.737 flat angles C4'-P-C4' energy: -80.764 flat angles P-C4'-P energy: -50.822 tors. eta vs tors. theta energy: -98.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1423.328931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.328931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.328931 (E_RNA) where: Base-Base interactions energy: -1018.028 where: short stacking energy: -411.598 Base-Backbone interact. energy: -0.040 local terms energy: -405.260397 where: bonds (distance) C4'-P energy: -69.803 bonds (distance) P-C4' energy: -77.408 flat angles C4'-P-C4' energy: -86.626 flat angles P-C4'-P energy: -55.228 tors. eta vs tors. theta energy: -116.195 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: 5 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1248.549905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.549905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.549905 (E_RNA) where: Base-Base interactions energy: -867.679 where: short stacking energy: -371.065 Base-Backbone interact. energy: 1.577 local terms energy: -382.448159 where: bonds (distance) C4'-P energy: -76.248 bonds (distance) P-C4' energy: -75.800 flat angles C4'-P-C4' energy: -82.004 flat angles P-C4'-P energy: -52.499 tors. eta vs tors. theta energy: -95.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1115.364818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.364818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.364818 (E_RNA) where: Base-Base interactions energy: -757.439 where: short stacking energy: -328.217 Base-Backbone interact. energy: -0.862 local terms energy: -357.063550 where: bonds (distance) C4'-P energy: -73.843 bonds (distance) P-C4' energy: -73.116 flat angles C4'-P-C4' energy: -72.267 flat angles P-C4'-P energy: -52.398 tors. eta vs tors. theta energy: -85.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1133.791681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.791681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.791681 (E_RNA) where: Base-Base interactions energy: -807.437 where: short stacking energy: -339.027 Base-Backbone interact. energy: 0.400 local terms energy: -326.754786 where: bonds (distance) C4'-P energy: -55.928 bonds (distance) P-C4' energy: -63.916 flat angles C4'-P-C4' energy: -75.910 flat angles P-C4'-P energy: -38.874 tors. eta vs tors. theta energy: -92.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1000.944676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.944676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.944676 (E_RNA) where: Base-Base interactions energy: -673.182 where: short stacking energy: -300.201 Base-Backbone interact. energy: 0.532 local terms energy: -328.294204 where: bonds (distance) C4'-P energy: -69.885 bonds (distance) P-C4' energy: -60.145 flat angles C4'-P-C4' energy: -65.824 flat angles P-C4'-P energy: -56.421 tors. eta vs tors. theta energy: -76.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -977.088040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.088040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.088040 (E_RNA) where: Base-Base interactions energy: -690.222 where: short stacking energy: -299.439 Base-Backbone interact. energy: 14.175 local terms energy: -301.040634 where: bonds (distance) C4'-P energy: -56.183 bonds (distance) P-C4' energy: -61.765 flat angles C4'-P-C4' energy: -63.535 flat angles P-C4'-P energy: -48.790 tors. eta vs tors. theta energy: -70.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -931.927743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.927743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.927743 (E_RNA) where: Base-Base interactions energy: -649.197 where: short stacking energy: -272.857 Base-Backbone interact. energy: 2.187 local terms energy: -284.917695 where: bonds (distance) C4'-P energy: -58.912 bonds (distance) P-C4' energy: -57.432 flat angles C4'-P-C4' energy: -74.195 flat angles P-C4'-P energy: -34.244 tors. eta vs tors. theta energy: -60.135 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: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -764.941081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.941081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.941081 (E_RNA) where: Base-Base interactions energy: -498.757 where: short stacking energy: -235.887 Base-Backbone interact. energy: -3.948 local terms energy: -262.236141 where: bonds (distance) C4'-P energy: -58.928 bonds (distance) P-C4' energy: -62.575 flat angles C4'-P-C4' energy: -63.911 flat angles P-C4'-P energy: -38.410 tors. eta vs tors. theta energy: -38.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -557.482345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.482345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.482345 (E_RNA) where: Base-Base interactions energy: -335.321 where: short stacking energy: -156.634 Base-Backbone interact. energy: 0.803 local terms energy: -222.964149 where: bonds (distance) C4'-P energy: -61.211 bonds (distance) P-C4' energy: -50.347 flat angles C4'-P-C4' energy: -57.179 flat angles P-C4'-P energy: -44.228 tors. eta vs tors. theta energy: -9.999 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: 8 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1443.740182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.740182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.740182 (E_RNA) where: Base-Base interactions energy: -1025.483 where: short stacking energy: -402.562 Base-Backbone interact. energy: -1.517 local terms energy: -416.739562 where: bonds (distance) C4'-P energy: -77.829 bonds (distance) P-C4' energy: -79.311 flat angles C4'-P-C4' energy: -94.251 flat angles P-C4'-P energy: -54.294 tors. eta vs tors. theta energy: -111.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1423.713137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.713137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.713137 (E_RNA) where: Base-Base interactions energy: -1040.917 where: short stacking energy: -420.935 Base-Backbone interact. energy: -0.389 local terms energy: -382.408052 where: bonds (distance) C4'-P energy: -61.655 bonds (distance) P-C4' energy: -79.253 flat angles C4'-P-C4' energy: -86.639 flat angles P-C4'-P energy: -51.968 tors. eta vs tors. theta energy: -102.894 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: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1221.678662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.678662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.678662 (E_RNA) where: Base-Base interactions energy: -851.734 where: short stacking energy: -340.462 Base-Backbone interact. energy: 2.980 local terms energy: -372.924347 where: bonds (distance) C4'-P energy: -68.788 bonds (distance) P-C4' energy: -69.660 flat angles C4'-P-C4' energy: -82.520 flat angles P-C4'-P energy: -53.359 tors. eta vs tors. theta energy: -98.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1128.270418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.270418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.270418 (E_RNA) where: Base-Base interactions energy: -764.426 where: short stacking energy: -330.017 Base-Backbone interact. energy: -1.066 local terms energy: -362.778984 where: bonds (distance) C4'-P energy: -70.732 bonds (distance) P-C4' energy: -67.000 flat angles C4'-P-C4' energy: -87.761 flat angles P-C4'-P energy: -43.033 tors. eta vs tors. theta energy: -94.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1165.259031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.259031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.259031 (E_RNA) where: Base-Base interactions energy: -819.149 where: short stacking energy: -336.389 Base-Backbone interact. energy: -0.392 local terms energy: -345.718309 where: bonds (distance) C4'-P energy: -70.890 bonds (distance) P-C4' energy: -68.898 flat angles C4'-P-C4' energy: -81.433 flat angles P-C4'-P energy: -43.903 tors. eta vs tors. theta energy: -80.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1047.952316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.952316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.952316 (E_RNA) where: Base-Base interactions energy: -704.572 where: short stacking energy: -315.950 Base-Backbone interact. energy: -0.263 local terms energy: -343.116816 where: bonds (distance) C4'-P energy: -66.149 bonds (distance) P-C4' energy: -69.663 flat angles C4'-P-C4' energy: -79.297 flat angles P-C4'-P energy: -44.365 tors. eta vs tors. theta energy: -83.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -971.960671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.960671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.960671 (E_RNA) where: Base-Base interactions energy: -656.570 where: short stacking energy: -294.753 Base-Backbone interact. energy: -1.393 local terms energy: -313.997321 where: bonds (distance) C4'-P energy: -69.394 bonds (distance) P-C4' energy: -73.840 flat angles C4'-P-C4' energy: -60.534 flat angles P-C4'-P energy: -43.929 tors. eta vs tors. theta energy: -66.300 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: 6 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -905.911880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.911880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.911880 (E_RNA) where: Base-Base interactions energy: -604.983 where: short stacking energy: -239.095 Base-Backbone interact. energy: 1.705 local terms energy: -302.634011 where: bonds (distance) C4'-P energy: -67.573 bonds (distance) P-C4' energy: -59.670 flat angles C4'-P-C4' energy: -75.891 flat angles P-C4'-P energy: -53.752 tors. eta vs tors. theta energy: -45.749 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: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -825.688119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.688119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.688119 (E_RNA) where: Base-Base interactions energy: -549.944 where: short stacking energy: -230.750 Base-Backbone interact. energy: -0.230 local terms energy: -275.514409 where: bonds (distance) C4'-P energy: -57.383 bonds (distance) P-C4' energy: -60.702 flat angles C4'-P-C4' energy: -62.099 flat angles P-C4'-P energy: -50.871 tors. eta vs tors. theta energy: -44.460 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: 4 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -616.814497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.814497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.814497 (E_RNA) where: Base-Base interactions energy: -364.582 where: short stacking energy: -158.548 Base-Backbone interact. energy: -2.472 local terms energy: -249.761125 where: bonds (distance) C4'-P energy: -67.131 bonds (distance) P-C4' energy: -59.159 flat angles C4'-P-C4' energy: -61.726 flat angles P-C4'-P energy: -35.171 tors. eta vs tors. theta energy: -26.575 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: 1, replica: 8 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1456.815142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.815142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.815142 (E_RNA) where: Base-Base interactions energy: -1048.392 where: short stacking energy: -408.261 Base-Backbone interact. energy: -1.485 local terms energy: -406.938808 where: bonds (distance) C4'-P energy: -68.544 bonds (distance) P-C4' energy: -82.692 flat angles C4'-P-C4' energy: -83.796 flat angles P-C4'-P energy: -55.452 tors. eta vs tors. theta energy: -116.454 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: 7 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1380.300455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.300455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.300455 (E_RNA) where: Base-Base interactions energy: -977.638 where: short stacking energy: -375.739 Base-Backbone interact. energy: -0.377 local terms energy: -402.285089 where: bonds (distance) C4'-P energy: -70.814 bonds (distance) P-C4' energy: -85.642 flat angles C4'-P-C4' energy: -84.222 flat angles P-C4'-P energy: -61.675 tors. eta vs tors. theta energy: -99.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1268.054701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.054701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.054701 (E_RNA) where: Base-Base interactions energy: -879.813 where: short stacking energy: -376.094 Base-Backbone interact. energy: -1.322 local terms energy: -386.919721 where: bonds (distance) C4'-P energy: -73.008 bonds (distance) P-C4' energy: -71.808 flat angles C4'-P-C4' energy: -87.029 flat angles P-C4'-P energy: -58.595 tors. eta vs tors. theta energy: -96.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1187.248723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.248723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.248723 (E_RNA) where: Base-Base interactions energy: -811.875 where: short stacking energy: -344.804 Base-Backbone interact. energy: -0.402 local terms energy: -374.971704 where: bonds (distance) C4'-P energy: -74.911 bonds (distance) P-C4' energy: -71.757 flat angles C4'-P-C4' energy: -83.192 flat angles P-C4'-P energy: -52.700 tors. eta vs tors. theta energy: -92.411 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: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1110.140744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.140744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.140744 (E_RNA) where: Base-Base interactions energy: -779.975 where: short stacking energy: -324.027 Base-Backbone interact. energy: -1.531 local terms energy: -328.634881 where: bonds (distance) C4'-P energy: -64.379 bonds (distance) P-C4' energy: -64.682 flat angles C4'-P-C4' energy: -74.174 flat angles P-C4'-P energy: -42.883 tors. eta vs tors. theta energy: -82.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1040.405527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.405527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.405527 (E_RNA) where: Base-Base interactions energy: -698.943 where: short stacking energy: -299.948 Base-Backbone interact. energy: -1.719 local terms energy: -339.744025 where: bonds (distance) C4'-P energy: -71.461 bonds (distance) P-C4' energy: -74.015 flat angles C4'-P-C4' energy: -67.157 flat angles P-C4'-P energy: -53.465 tors. eta vs tors. theta energy: -73.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -971.043578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.043578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.043578 (E_RNA) where: Base-Base interactions energy: -662.889 where: short stacking energy: -277.059 Base-Backbone interact. energy: 3.190 local terms energy: -311.344970 where: bonds (distance) C4'-P energy: -54.679 bonds (distance) P-C4' energy: -63.679 flat angles C4'-P-C4' energy: -75.860 flat angles P-C4'-P energy: -56.049 tors. eta vs tors. theta energy: -61.078 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: 8, replica: 6 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -929.888344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.888344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.888344 (E_RNA) where: Base-Base interactions energy: -642.442 where: short stacking energy: -262.186 Base-Backbone interact. energy: -0.752 local terms energy: -286.695179 where: bonds (distance) C4'-P energy: -63.769 bonds (distance) P-C4' energy: -51.702 flat angles C4'-P-C4' energy: -75.555 flat angles P-C4'-P energy: -40.111 tors. eta vs tors. theta energy: -55.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -845.553102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.553102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.553102 (E_RNA) where: Base-Base interactions energy: -526.045 where: short stacking energy: -220.159 Base-Backbone interact. energy: -0.860 local terms energy: -318.648505 where: bonds (distance) C4'-P energy: -71.598 bonds (distance) P-C4' energy: -73.496 flat angles C4'-P-C4' energy: -69.424 flat angles P-C4'-P energy: -52.175 tors. eta vs tors. theta energy: -51.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -706.606918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.606918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.606918 (E_RNA) where: Base-Base interactions energy: -476.042 where: short stacking energy: -188.210 Base-Backbone interact. energy: 0.600 local terms energy: -231.164692 where: bonds (distance) C4'-P energy: -62.059 bonds (distance) P-C4' energy: -63.676 flat angles C4'-P-C4' energy: -49.129 flat angles P-C4'-P energy: -26.760 tors. eta vs tors. theta energy: -29.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1470.543286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.543286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.543286 (E_RNA) where: Base-Base interactions energy: -1074.429 where: short stacking energy: -421.238 Base-Backbone interact. energy: -0.982 local terms energy: -395.132991 where: bonds (distance) C4'-P energy: -78.822 bonds (distance) P-C4' energy: -71.430 flat angles C4'-P-C4' energy: -86.603 flat angles P-C4'-P energy: -41.571 tors. eta vs tors. theta energy: -116.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1370.766985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.766985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.766985 (E_RNA) where: Base-Base interactions energy: -964.622 where: short stacking energy: -379.604 Base-Backbone interact. energy: -0.639 local terms energy: -405.506612 where: bonds (distance) C4'-P energy: -68.500 bonds (distance) P-C4' energy: -82.214 flat angles C4'-P-C4' energy: -86.150 flat angles P-C4'-P energy: -63.856 tors. eta vs tors. theta energy: -104.787 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: 5 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1253.847860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.847860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.847860 (E_RNA) where: Base-Base interactions energy: -869.529 where: short stacking energy: -362.917 Base-Backbone interact. energy: -1.940 local terms energy: -382.379154 where: bonds (distance) C4'-P energy: -75.080 bonds (distance) P-C4' energy: -72.098 flat angles C4'-P-C4' energy: -76.596 flat angles P-C4'-P energy: -58.342 tors. eta vs tors. theta energy: -100.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1230.587229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.587229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.587229 (E_RNA) where: Base-Base interactions energy: -855.478 where: short stacking energy: -367.498 Base-Backbone interact. energy: 0.219 local terms energy: -375.327896 where: bonds (distance) C4'-P energy: -71.615 bonds (distance) P-C4' energy: -66.953 flat angles C4'-P-C4' energy: -77.863 flat angles P-C4'-P energy: -63.749 tors. eta vs tors. theta energy: -95.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1147.584575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.584575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.584575 (E_RNA) where: Base-Base interactions energy: -818.839 where: short stacking energy: -333.618 Base-Backbone interact. energy: -1.272 local terms energy: -327.473388 where: bonds (distance) C4'-P energy: -71.416 bonds (distance) P-C4' energy: -57.942 flat angles C4'-P-C4' energy: -62.311 flat angles P-C4'-P energy: -47.550 tors. eta vs tors. theta energy: -88.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1085.596905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.596905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.596905 (E_RNA) where: Base-Base interactions energy: -742.089 where: short stacking energy: -308.451 Base-Backbone interact. energy: 1.542 local terms energy: -345.050394 where: bonds (distance) C4'-P energy: -65.448 bonds (distance) P-C4' energy: -76.514 flat angles C4'-P-C4' energy: -78.079 flat angles P-C4'-P energy: -41.853 tors. eta vs tors. theta energy: -83.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -965.422874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.422874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.422874 (E_RNA) where: Base-Base interactions energy: -663.840 where: short stacking energy: -268.686 Base-Backbone interact. energy: -2.783 local terms energy: -298.800599 where: bonds (distance) C4'-P energy: -54.269 bonds (distance) P-C4' energy: -70.959 flat angles C4'-P-C4' energy: -59.383 flat angles P-C4'-P energy: -44.769 tors. eta vs tors. theta energy: -69.420 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: 24 Temperature: 1.250000 Total energy: -922.505487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.505487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.505487 (E_RNA) where: Base-Base interactions energy: -627.421 where: short stacking energy: -282.861 Base-Backbone interact. energy: -0.551 local terms energy: -294.533731 where: bonds (distance) C4'-P energy: -54.837 bonds (distance) P-C4' energy: -49.338 flat angles C4'-P-C4' energy: -66.868 flat angles P-C4'-P energy: -51.156 tors. eta vs tors. theta energy: -72.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -838.541553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.541553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.541553 (E_RNA) where: Base-Base interactions energy: -559.215 where: short stacking energy: -246.264 Base-Backbone interact. energy: 0.127 local terms energy: -279.453119 where: bonds (distance) C4'-P energy: -60.470 bonds (distance) P-C4' energy: -57.273 flat angles C4'-P-C4' energy: -73.884 flat angles P-C4'-P energy: -41.463 tors. eta vs tors. theta energy: -46.363 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: 4 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -773.528936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.528936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.528936 (E_RNA) where: Base-Base interactions energy: -505.528 where: short stacking energy: -220.397 Base-Backbone interact. energy: 2.362 local terms energy: -270.362867 where: bonds (distance) C4'-P energy: -52.981 bonds (distance) P-C4' energy: -76.778 flat angles C4'-P-C4' energy: -61.332 flat angles P-C4'-P energy: -40.054 tors. eta vs tors. theta energy: -39.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1453.498091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.498091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.498091 (E_RNA) where: Base-Base interactions energy: -1059.615 where: short stacking energy: -410.351 Base-Backbone interact. energy: 0.119 local terms energy: -394.002076 where: bonds (distance) C4'-P energy: -68.149 bonds (distance) P-C4' energy: -70.108 flat angles C4'-P-C4' energy: -88.144 flat angles P-C4'-P energy: -57.236 tors. eta vs tors. theta energy: -110.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1407.826546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.826546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.826546 (E_RNA) where: Base-Base interactions energy: -996.789 where: short stacking energy: -409.675 Base-Backbone interact. energy: 0.360 local terms energy: -411.397666 where: bonds (distance) C4'-P energy: -71.586 bonds (distance) P-C4' energy: -77.205 flat angles C4'-P-C4' energy: -91.913 flat angles P-C4'-P energy: -64.211 tors. eta vs tors. theta energy: -106.482 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: 3, replica: 5 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1251.302845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.302845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.302845 (E_RNA) where: Base-Base interactions energy: -879.193 where: short stacking energy: -357.678 Base-Backbone interact. energy: -2.450 local terms energy: -369.660005 where: bonds (distance) C4'-P energy: -60.770 bonds (distance) P-C4' energy: -74.163 flat angles C4'-P-C4' energy: -84.755 flat angles P-C4'-P energy: -51.646 tors. eta vs tors. theta energy: -98.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1202.650037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.650037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.650037 (E_RNA) where: Base-Base interactions energy: -850.927 where: short stacking energy: -339.527 Base-Backbone interact. energy: -1.296 local terms energy: -350.426684 where: bonds (distance) C4'-P energy: -64.751 bonds (distance) P-C4' energy: -69.573 flat angles C4'-P-C4' energy: -74.961 flat angles P-C4'-P energy: -49.764 tors. eta vs tors. theta energy: -91.378 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: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1199.861606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.861606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.861606 (E_RNA) where: Base-Base interactions energy: -833.686 where: short stacking energy: -339.437 Base-Backbone interact. energy: -2.424 local terms energy: -363.751163 where: bonds (distance) C4'-P energy: -73.407 bonds (distance) P-C4' energy: -67.092 flat angles C4'-P-C4' energy: -81.522 flat angles P-C4'-P energy: -54.885 tors. eta vs tors. theta energy: -86.845 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: 3 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1088.864467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.864467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.864467 (E_RNA) where: Base-Base interactions energy: -753.923 where: short stacking energy: -296.581 Base-Backbone interact. energy: -0.544 local terms energy: -334.398230 where: bonds (distance) C4'-P energy: -72.415 bonds (distance) P-C4' energy: -63.466 flat angles C4'-P-C4' energy: -79.004 flat angles P-C4'-P energy: -44.535 tors. eta vs tors. theta energy: -74.979 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: 25 Temperature: 1.200000 Total energy: -966.908093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.908093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.908093 (E_RNA) where: Base-Base interactions energy: -658.325 where: short stacking energy: -284.495 Base-Backbone interact. energy: 0.574 local terms energy: -309.157213 where: bonds (distance) C4'-P energy: -65.137 bonds (distance) P-C4' energy: -59.579 flat angles C4'-P-C4' energy: -78.756 flat angles P-C4'-P energy: -40.426 tors. eta vs tors. theta energy: -65.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -921.142220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.142220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.142220 (E_RNA) where: Base-Base interactions energy: -622.776 where: short stacking energy: -261.643 Base-Backbone interact. energy: -1.737 local terms energy: -296.628457 where: bonds (distance) C4'-P energy: -64.483 bonds (distance) P-C4' energy: -64.880 flat angles C4'-P-C4' energy: -76.876 flat angles P-C4'-P energy: -34.863 tors. eta vs tors. theta energy: -55.527 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: 9, replica: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -852.185749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.185749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.185749 (E_RNA) where: Base-Base interactions energy: -570.100 where: short stacking energy: -233.837 Base-Backbone interact. energy: -0.102 local terms energy: -281.983709 where: bonds (distance) C4'-P energy: -58.637 bonds (distance) P-C4' energy: -66.537 flat angles C4'-P-C4' energy: -69.711 flat angles P-C4'-P energy: -42.020 tors. eta vs tors. theta energy: -45.079 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: 4 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -741.785465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.785465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.785465 (E_RNA) where: Base-Base interactions energy: -496.556 where: short stacking energy: -208.111 Base-Backbone interact. energy: 5.331 local terms energy: -250.560851 where: bonds (distance) C4'-P energy: -47.423 bonds (distance) P-C4' energy: -75.048 flat angles C4'-P-C4' energy: -60.804 flat angles P-C4'-P energy: -27.501 tors. eta vs tors. theta energy: -39.785 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: 1, replica: 8 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1485.078005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.078005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.078005 (E_RNA) where: Base-Base interactions energy: -1067.656 where: short stacking energy: -431.592 Base-Backbone interact. energy: -0.848 local terms energy: -416.574252 where: bonds (distance) C4'-P energy: -79.145 bonds (distance) P-C4' energy: -80.136 flat angles C4'-P-C4' energy: -88.754 flat angles P-C4'-P energy: -49.987 tors. eta vs tors. theta energy: -118.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1388.457639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.457639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.457639 (E_RNA) where: Base-Base interactions energy: -998.559 where: short stacking energy: -397.795 Base-Backbone interact. energy: -0.336 local terms energy: -389.562954 where: bonds (distance) C4'-P energy: -75.681 bonds (distance) P-C4' energy: -66.606 flat angles C4'-P-C4' energy: -85.060 flat angles P-C4'-P energy: -55.061 tors. eta vs tors. theta energy: -107.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1309.953337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.953337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.953337 (E_RNA) where: Base-Base interactions energy: -925.153 where: short stacking energy: -386.343 Base-Backbone interact. energy: -1.758 local terms energy: -383.042236 where: bonds (distance) C4'-P energy: -65.429 bonds (distance) P-C4' energy: -73.269 flat angles C4'-P-C4' energy: -77.684 flat angles P-C4'-P energy: -57.120 tors. eta vs tors. theta energy: -109.541 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: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1213.649609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.649609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.649609 (E_RNA) where: Base-Base interactions energy: -845.698 where: short stacking energy: -359.073 Base-Backbone interact. energy: 0.102 local terms energy: -368.053087 where: bonds (distance) C4'-P energy: -63.620 bonds (distance) P-C4' energy: -56.529 flat angles C4'-P-C4' energy: -84.358 flat angles P-C4'-P energy: -60.251 tors. eta vs tors. theta energy: -103.295 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: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1190.635739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.635739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.635739 (E_RNA) where: Base-Base interactions energy: -841.614 where: short stacking energy: -357.067 Base-Backbone interact. energy: 0.836 local terms energy: -349.858112 where: bonds (distance) C4'-P energy: -67.407 bonds (distance) P-C4' energy: -72.368 flat angles C4'-P-C4' energy: -79.932 flat angles P-C4'-P energy: -39.842 tors. eta vs tors. theta energy: -90.310 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: 26 Temperature: 1.150000 Total energy: -1112.414631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.414631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.414631 (E_RNA) where: Base-Base interactions energy: -781.117 where: short stacking energy: -309.523 Base-Backbone interact. energy: -1.834 local terms energy: -329.464141 where: bonds (distance) C4'-P energy: -71.465 bonds (distance) P-C4' energy: -72.474 flat angles C4'-P-C4' energy: -63.431 flat angles P-C4'-P energy: -43.606 tors. eta vs tors. theta energy: -78.489 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: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1000.687170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.687170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.687170 (E_RNA) where: Base-Base interactions energy: -685.643 where: short stacking energy: -286.273 Base-Backbone interact. energy: -1.440 local terms energy: -313.604310 where: bonds (distance) C4'-P energy: -60.497 bonds (distance) P-C4' energy: -69.795 flat angles C4'-P-C4' energy: -68.459 flat angles P-C4'-P energy: -43.200 tors. eta vs tors. theta energy: -71.653 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: 9 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -917.382320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.382320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.382320 (E_RNA) where: Base-Base interactions energy: -628.319 where: short stacking energy: -264.415 Base-Backbone interact. energy: -0.582 local terms energy: -288.481730 where: bonds (distance) C4'-P energy: -61.180 bonds (distance) P-C4' energy: -59.272 flat angles C4'-P-C4' energy: -71.774 flat angles P-C4'-P energy: -44.069 tors. eta vs tors. theta energy: -52.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -923.914901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.914901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.914901 (E_RNA) where: Base-Base interactions energy: -634.651 where: short stacking energy: -269.760 Base-Backbone interact. energy: -0.654 local terms energy: -288.609254 where: bonds (distance) C4'-P energy: -60.589 bonds (distance) P-C4' energy: -65.299 flat angles C4'-P-C4' energy: -61.756 flat angles P-C4'-P energy: -42.180 tors. eta vs tors. theta energy: -58.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -733.296504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.296504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.296504 (E_RNA) where: Base-Base interactions energy: -473.552 where: short stacking energy: -198.453 Base-Backbone interact. energy: -0.572 local terms energy: -259.172974 where: bonds (distance) C4'-P energy: -63.471 bonds (distance) P-C4' energy: -56.513 flat angles C4'-P-C4' energy: -59.524 flat angles P-C4'-P energy: -37.774 tors. eta vs tors. theta energy: -41.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1472.584789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.584789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.584789 (E_RNA) where: Base-Base interactions energy: -1065.975 where: short stacking energy: -415.298 Base-Backbone interact. energy: -0.476 local terms energy: -406.133802 where: bonds (distance) C4'-P energy: -82.437 bonds (distance) P-C4' energy: -81.148 flat angles C4'-P-C4' energy: -78.646 flat angles P-C4'-P energy: -45.754 tors. eta vs tors. theta energy: -118.150 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: 7 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1401.057943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.057943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.057943 (E_RNA) where: Base-Base interactions energy: -992.174 where: short stacking energy: -405.743 Base-Backbone interact. energy: 0.464 local terms energy: -409.347906 where: bonds (distance) C4'-P energy: -74.221 bonds (distance) P-C4' energy: -79.912 flat angles C4'-P-C4' energy: -87.663 flat angles P-C4'-P energy: -61.936 tors. eta vs tors. theta energy: -105.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1292.198980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.198980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.198980 (E_RNA) where: Base-Base interactions energy: -921.662 where: short stacking energy: -384.142 Base-Backbone interact. energy: -2.056 local terms energy: -368.480997 where: bonds (distance) C4'-P energy: -67.839 bonds (distance) P-C4' energy: -69.335 flat angles C4'-P-C4' energy: -81.616 flat angles P-C4'-P energy: -48.418 tors. eta vs tors. theta energy: -101.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1256.580492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.580492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.580492 (E_RNA) where: Base-Base interactions energy: -912.803 where: short stacking energy: -372.920 Base-Backbone interact. energy: -1.406 local terms energy: -342.371481 where: bonds (distance) C4'-P energy: -62.057 bonds (distance) P-C4' energy: -64.904 flat angles C4'-P-C4' energy: -73.195 flat angles P-C4'-P energy: -46.838 tors. eta vs tors. theta energy: -95.378 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: 5, replica: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1200.998214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.998214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.998214 (E_RNA) where: Base-Base interactions energy: -834.567 where: short stacking energy: -338.445 Base-Backbone interact. energy: -0.536 local terms energy: -365.894762 where: bonds (distance) C4'-P energy: -56.112 bonds (distance) P-C4' energy: -81.114 flat angles C4'-P-C4' energy: -77.436 flat angles P-C4'-P energy: -59.194 tors. eta vs tors. theta energy: -92.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1088.016903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.016903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.016903 (E_RNA) where: Base-Base interactions energy: -742.809 where: short stacking energy: -297.064 Base-Backbone interact. energy: -0.806 local terms energy: -344.401655 where: bonds (distance) C4'-P energy: -57.434 bonds (distance) P-C4' energy: -64.352 flat angles C4'-P-C4' energy: -74.933 flat angles P-C4'-P energy: -57.007 tors. eta vs tors. theta energy: -90.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1041.288756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.288756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.288756 (E_RNA) where: Base-Base interactions energy: -731.364 where: short stacking energy: -300.064 Base-Backbone interact. energy: -1.076 local terms energy: -308.849048 where: bonds (distance) C4'-P energy: -63.917 bonds (distance) P-C4' energy: -67.552 flat angles C4'-P-C4' energy: -58.222 flat angles P-C4'-P energy: -45.009 tors. eta vs tors. theta energy: -74.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -973.397491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.397491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.397491 (E_RNA) where: Base-Base interactions energy: -681.936 where: short stacking energy: -279.969 Base-Backbone interact. energy: 1.158 local terms energy: -292.618650 where: bonds (distance) C4'-P energy: -59.215 bonds (distance) P-C4' energy: -62.862 flat angles C4'-P-C4' energy: -67.279 flat angles P-C4'-P energy: -41.618 tors. eta vs tors. theta energy: -61.644 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: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -945.548145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.548145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.548145 (E_RNA) where: Base-Base interactions energy: -647.488 where: short stacking energy: -270.054 Base-Backbone interact. energy: -0.423 local terms energy: -297.636687 where: bonds (distance) C4'-P energy: -52.947 bonds (distance) P-C4' energy: -43.679 flat angles C4'-P-C4' energy: -80.808 flat angles P-C4'-P energy: -55.292 tors. eta vs tors. theta energy: -64.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -740.735453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.735453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.735453 (E_RNA) where: Base-Base interactions energy: -469.664 where: short stacking energy: -195.302 Base-Backbone interact. energy: -1.028 local terms energy: -270.043647 where: bonds (distance) C4'-P energy: -68.310 bonds (distance) P-C4' energy: -55.196 flat angles C4'-P-C4' energy: -63.322 flat angles P-C4'-P energy: -43.871 tors. eta vs tors. theta energy: -39.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1424.816599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.816599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.816599 (E_RNA) where: Base-Base interactions energy: -1035.938 where: short stacking energy: -424.571 Base-Backbone interact. energy: -0.313 local terms energy: -388.564865 where: bonds (distance) C4'-P energy: -70.924 bonds (distance) P-C4' energy: -55.681 flat angles C4'-P-C4' energy: -96.376 flat angles P-C4'-P energy: -55.296 tors. eta vs tors. theta energy: -110.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1428.267289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.267289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.267289 (E_RNA) where: Base-Base interactions energy: -1016.839 where: short stacking energy: -405.445 Base-Backbone interact. energy: 0.743 local terms energy: -412.171067 where: bonds (distance) C4'-P energy: -75.538 bonds (distance) P-C4' energy: -83.672 flat angles C4'-P-C4' energy: -83.611 flat angles P-C4'-P energy: -61.816 tors. eta vs tors. theta energy: -107.533 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: 5 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1308.215704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.215704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.215704 (E_RNA) where: Base-Base interactions energy: -924.721 where: short stacking energy: -378.604 Base-Backbone interact. energy: -2.357 local terms energy: -381.138155 where: bonds (distance) C4'-P energy: -66.958 bonds (distance) P-C4' energy: -71.726 flat angles C4'-P-C4' energy: -82.654 flat angles P-C4'-P energy: -59.204 tors. eta vs tors. theta energy: -100.597 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: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1250.833887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.833887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.833887 (E_RNA) where: Base-Base interactions energy: -881.134 where: short stacking energy: -345.318 Base-Backbone interact. energy: 0.898 local terms energy: -370.597575 where: bonds (distance) C4'-P energy: -74.512 bonds (distance) P-C4' energy: -56.796 flat angles C4'-P-C4' energy: -80.352 flat angles P-C4'-P energy: -64.025 tors. eta vs tors. theta energy: -94.912 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: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1197.045679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.045679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.045679 (E_RNA) where: Base-Base interactions energy: -818.098 where: short stacking energy: -329.383 Base-Backbone interact. energy: 0.061 local terms energy: -379.009158 where: bonds (distance) C4'-P energy: -68.003 bonds (distance) P-C4' energy: -75.768 flat angles C4'-P-C4' energy: -79.913 flat angles P-C4'-P energy: -59.588 tors. eta vs tors. theta energy: -95.738 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: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1102.510719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.510719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.510719 (E_RNA) where: Base-Base interactions energy: -749.990 where: short stacking energy: -319.944 Base-Backbone interact. energy: -1.464 local terms energy: -351.056203 where: bonds (distance) C4'-P energy: -66.120 bonds (distance) P-C4' energy: -68.027 flat angles C4'-P-C4' energy: -76.781 flat angles P-C4'-P energy: -55.827 tors. eta vs tors. theta energy: -84.302 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: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1109.191902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.191902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.191902 (E_RNA) where: Base-Base interactions energy: -775.019 where: short stacking energy: -306.475 Base-Backbone interact. energy: 0.758 local terms energy: -334.930549 where: bonds (distance) C4'-P energy: -62.807 bonds (distance) P-C4' energy: -67.794 flat angles C4'-P-C4' energy: -75.219 flat angles P-C4'-P energy: -48.129 tors. eta vs tors. theta energy: -80.980 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: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1017.913599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.913599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.913599 (E_RNA) where: Base-Base interactions energy: -687.530 where: short stacking energy: -264.621 Base-Backbone interact. energy: -1.516 local terms energy: -328.867825 where: bonds (distance) C4'-P energy: -62.702 bonds (distance) P-C4' energy: -76.178 flat angles C4'-P-C4' energy: -72.563 flat angles P-C4'-P energy: -51.352 tors. eta vs tors. theta energy: -66.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -936.772637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.772637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.772637 (E_RNA) where: Base-Base interactions energy: -640.077 where: short stacking energy: -264.262 Base-Backbone interact. energy: 2.015 local terms energy: -298.710833 where: bonds (distance) C4'-P energy: -54.871 bonds (distance) P-C4' energy: -57.887 flat angles C4'-P-C4' energy: -76.841 flat angles P-C4'-P energy: -56.969 tors. eta vs tors. theta energy: -52.143 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: 4 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -759.202945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.202945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.202945 (E_RNA) where: Base-Base interactions energy: -503.174 where: short stacking energy: -221.888 Base-Backbone interact. energy: -3.027 local terms energy: -253.002044 where: bonds (distance) C4'-P energy: -48.100 bonds (distance) P-C4' energy: -68.073 flat angles C4'-P-C4' energy: -65.360 flat angles P-C4'-P energy: -33.251 tors. eta vs tors. theta energy: -38.218 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: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1419.348352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.348352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.348352 (E_RNA) where: Base-Base interactions energy: -1010.298 where: short stacking energy: -403.801 Base-Backbone interact. energy: -0.292 local terms energy: -408.758307 where: bonds (distance) C4'-P energy: -72.964 bonds (distance) P-C4' energy: -86.690 flat angles C4'-P-C4' energy: -80.990 flat angles P-C4'-P energy: -56.669 tors. eta vs tors. theta energy: -111.446 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: 8 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1445.801408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.801408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.801408 (E_RNA) where: Base-Base interactions energy: -1031.307 where: short stacking energy: -397.609 Base-Backbone interact. energy: -1.235 local terms energy: -413.259856 where: bonds (distance) C4'-P energy: -81.519 bonds (distance) P-C4' energy: -87.211 flat angles C4'-P-C4' energy: -82.177 flat angles P-C4'-P energy: -53.029 tors. eta vs tors. theta energy: -109.323 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: 5 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1382.244270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.244270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.244270 (E_RNA) where: Base-Base interactions energy: -998.245 where: short stacking energy: -399.681 Base-Backbone interact. energy: -1.680 local terms energy: -382.318921 where: bonds (distance) C4'-P energy: -73.253 bonds (distance) P-C4' energy: -78.899 flat angles C4'-P-C4' energy: -72.125 flat angles P-C4'-P energy: -51.815 tors. eta vs tors. theta energy: -106.227 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: 29 Temperature: 1.050000 Total energy: -1263.854884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.854884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.854884 (E_RNA) where: Base-Base interactions energy: -893.901 where: short stacking energy: -364.916 Base-Backbone interact. energy: -0.067 local terms energy: -369.887106 where: bonds (distance) C4'-P energy: -69.291 bonds (distance) P-C4' energy: -72.106 flat angles C4'-P-C4' energy: -76.242 flat angles P-C4'-P energy: -48.276 tors. eta vs tors. theta energy: -103.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1232.962548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.962548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.962548 (E_RNA) where: Base-Base interactions energy: -859.964 where: short stacking energy: -347.059 Base-Backbone interact. energy: -1.316 local terms energy: -371.682843 where: bonds (distance) C4'-P energy: -78.648 bonds (distance) P-C4' energy: -59.436 flat angles C4'-P-C4' energy: -79.860 flat angles P-C4'-P energy: -62.155 tors. eta vs tors. theta energy: -91.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1137.386918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.386918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.386918 (E_RNA) where: Base-Base interactions energy: -767.621 where: short stacking energy: -318.648 Base-Backbone interact. energy: -1.564 local terms energy: -368.201675 where: bonds (distance) C4'-P energy: -79.015 bonds (distance) P-C4' energy: -77.806 flat angles C4'-P-C4' energy: -80.391 flat angles P-C4'-P energy: -47.571 tors. eta vs tors. theta energy: -83.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1059.635339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.635339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.635339 (E_RNA) where: Base-Base interactions energy: -733.125 where: short stacking energy: -306.841 Base-Backbone interact. energy: -0.639 local terms energy: -325.871076 where: bonds (distance) C4'-P energy: -69.216 bonds (distance) P-C4' energy: -72.257 flat angles C4'-P-C4' energy: -64.829 flat angles P-C4'-P energy: -41.631 tors. eta vs tors. theta energy: -77.939 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: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1000.371599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.371599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.371599 (E_RNA) where: Base-Base interactions energy: -691.357 where: short stacking energy: -289.650 Base-Backbone interact. energy: 3.611 local terms energy: -312.626206 where: bonds (distance) C4'-P energy: -64.544 bonds (distance) P-C4' energy: -60.651 flat angles C4'-P-C4' energy: -79.663 flat angles P-C4'-P energy: -40.112 tors. eta vs tors. theta energy: -67.657 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: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -902.536099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.536099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.536099 (E_RNA) where: Base-Base interactions energy: -612.503 where: short stacking energy: -259.514 Base-Backbone interact. energy: 3.732 local terms energy: -293.765320 where: bonds (distance) C4'-P energy: -58.520 bonds (distance) P-C4' energy: -73.394 flat angles C4'-P-C4' energy: -51.906 flat angles P-C4'-P energy: -49.873 tors. eta vs tors. theta energy: -60.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -794.476756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.476756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.476756 (E_RNA) where: Base-Base interactions energy: -529.114 where: short stacking energy: -232.166 Base-Backbone interact. energy: -3.584 local terms energy: -261.778297 where: bonds (distance) C4'-P energy: -53.096 bonds (distance) P-C4' energy: -69.394 flat angles C4'-P-C4' energy: -55.467 flat angles P-C4'-P energy: -28.527 tors. eta vs tors. theta energy: -55.294 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: 8 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1456.639600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.639600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.639600 (E_RNA) where: Base-Base interactions energy: -1043.531 where: short stacking energy: -412.817 Base-Backbone interact. energy: -1.964 local terms energy: -411.144719 where: bonds (distance) C4'-P energy: -79.578 bonds (distance) P-C4' energy: -71.904 flat angles C4'-P-C4' energy: -92.074 flat angles P-C4'-P energy: -54.227 tors. eta vs tors. theta energy: -113.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1387.918234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.918234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.918234 (E_RNA) where: Base-Base interactions energy: -996.793 where: short stacking energy: -403.251 Base-Backbone interact. energy: 1.770 local terms energy: -392.894922 where: bonds (distance) C4'-P energy: -75.817 bonds (distance) P-C4' energy: -69.709 flat angles C4'-P-C4' energy: -83.044 flat angles P-C4'-P energy: -58.182 tors. eta vs tors. theta energy: -106.143 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: 5 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1333.889177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.889177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.889177 (E_RNA) where: Base-Base interactions energy: -948.420 where: short stacking energy: -380.505 Base-Backbone interact. energy: -2.593 local terms energy: -382.876117 where: bonds (distance) C4'-P energy: -70.611 bonds (distance) P-C4' energy: -76.468 flat angles C4'-P-C4' energy: -80.153 flat angles P-C4'-P energy: -53.940 tors. eta vs tors. theta energy: -101.705 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: 4, replica: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1315.417139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.417139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.417139 (E_RNA) where: Base-Base interactions energy: -921.265 where: short stacking energy: -374.499 Base-Backbone interact. energy: -1.011 local terms energy: -393.141243 where: bonds (distance) C4'-P energy: -75.268 bonds (distance) P-C4' energy: -69.069 flat angles C4'-P-C4' energy: -86.340 flat angles P-C4'-P energy: -60.160 tors. eta vs tors. theta energy: -102.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1245.121096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.121096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.121096 (E_RNA) where: Base-Base interactions energy: -868.510 where: short stacking energy: -354.425 Base-Backbone interact. energy: -1.526 local terms energy: -375.084221 where: bonds (distance) C4'-P energy: -69.151 bonds (distance) P-C4' energy: -71.995 flat angles C4'-P-C4' energy: -80.868 flat angles P-C4'-P energy: -56.967 tors. eta vs tors. theta energy: -96.103 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: 6 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1128.834015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.834015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.834015 (E_RNA) where: Base-Base interactions energy: -791.646 where: short stacking energy: -324.726 Base-Backbone interact. energy: -1.686 local terms energy: -335.502254 where: bonds (distance) C4'-P energy: -60.976 bonds (distance) P-C4' energy: -65.077 flat angles C4'-P-C4' energy: -78.185 flat angles P-C4'-P energy: -53.706 tors. eta vs tors. theta energy: -77.559 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: 3 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1056.923153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.923153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.923153 (E_RNA) where: Base-Base interactions energy: -747.123 where: short stacking energy: -285.039 Base-Backbone interact. energy: -0.884 local terms energy: -308.915530 where: bonds (distance) C4'-P energy: -72.191 bonds (distance) P-C4' energy: -71.699 flat angles C4'-P-C4' energy: -51.026 flat angles P-C4'-P energy: -43.553 tors. eta vs tors. theta energy: -70.446 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: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1013.525455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.525455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.525455 (E_RNA) where: Base-Base interactions energy: -706.259 where: short stacking energy: -287.069 Base-Backbone interact. energy: -1.298 local terms energy: -305.968753 where: bonds (distance) C4'-P energy: -58.692 bonds (distance) P-C4' energy: -61.050 flat angles C4'-P-C4' energy: -76.665 flat angles P-C4'-P energy: -40.251 tors. eta vs tors. theta energy: -69.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -837.019661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.019661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.019661 (E_RNA) where: Base-Base interactions energy: -564.725 where: short stacking energy: -260.909 Base-Backbone interact. energy: 0.452 local terms energy: -272.746695 where: bonds (distance) C4'-P energy: -57.671 bonds (distance) P-C4' energy: -52.908 flat angles C4'-P-C4' energy: -65.482 flat angles P-C4'-P energy: -39.784 tors. eta vs tors. theta energy: -56.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -798.523355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.523355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.523355 (E_RNA) where: Base-Base interactions energy: -517.709 where: short stacking energy: -211.169 Base-Backbone interact. energy: -0.517 local terms energy: -280.297649 where: bonds (distance) C4'-P energy: -63.181 bonds (distance) P-C4' energy: -50.315 flat angles C4'-P-C4' energy: -74.310 flat angles P-C4'-P energy: -41.867 tors. eta vs tors. theta energy: -50.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1454.259394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.259394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.259394 (E_RNA) where: Base-Base interactions energy: -1039.864 where: short stacking energy: -420.973 Base-Backbone interact. energy: -1.720 local terms energy: -412.675180 where: bonds (distance) C4'-P energy: -80.307 bonds (distance) P-C4' energy: -87.643 flat angles C4'-P-C4' energy: -83.733 flat angles P-C4'-P energy: -55.583 tors. eta vs tors. theta energy: -105.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1378.688751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.688751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.688751 (E_RNA) where: Base-Base interactions energy: -978.056 where: short stacking energy: -394.435 Base-Backbone interact. energy: -0.926 local terms energy: -399.707270 where: bonds (distance) C4'-P energy: -76.877 bonds (distance) P-C4' energy: -77.379 flat angles C4'-P-C4' energy: -79.280 flat angles P-C4'-P energy: -53.964 tors. eta vs tors. theta energy: -112.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1353.850723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.850723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.850723 (E_RNA) where: Base-Base interactions energy: -970.399 where: short stacking energy: -373.637 Base-Backbone interact. energy: -0.247 local terms energy: -383.204714 where: bonds (distance) C4'-P energy: -74.409 bonds (distance) P-C4' energy: -66.598 flat angles C4'-P-C4' energy: -82.959 flat angles P-C4'-P energy: -61.518 tors. eta vs tors. theta energy: -97.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1292.425523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.425523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.425523 (E_RNA) where: Base-Base interactions energy: -913.117 where: short stacking energy: -362.855 Base-Backbone interact. energy: -0.460 local terms energy: -378.848563 where: bonds (distance) C4'-P energy: -71.079 bonds (distance) P-C4' energy: -72.844 flat angles C4'-P-C4' energy: -86.396 flat angles P-C4'-P energy: -52.914 tors. eta vs tors. theta energy: -95.615 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: 5, replica: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1237.151201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.151201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.151201 (E_RNA) where: Base-Base interactions energy: -882.489 where: short stacking energy: -360.755 Base-Backbone interact. energy: 2.817 local terms energy: -357.479602 where: bonds (distance) C4'-P energy: -57.129 bonds (distance) P-C4' energy: -70.551 flat angles C4'-P-C4' energy: -80.555 flat angles P-C4'-P energy: -53.938 tors. eta vs tors. theta energy: -95.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1210.227265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.227265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.227265 (E_RNA) where: Base-Base interactions energy: -865.381 where: short stacking energy: -339.441 Base-Backbone interact. energy: -1.186 local terms energy: -343.660460 where: bonds (distance) C4'-P energy: -71.693 bonds (distance) P-C4' energy: -65.066 flat angles C4'-P-C4' energy: -73.694 flat angles P-C4'-P energy: -50.135 tors. eta vs tors. theta energy: -83.073 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: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1060.877224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.877224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.877224 (E_RNA) where: Base-Base interactions energy: -734.739 where: short stacking energy: -308.555 Base-Backbone interact. energy: -0.844 local terms energy: -325.294881 where: bonds (distance) C4'-P energy: -63.837 bonds (distance) P-C4' energy: -63.216 flat angles C4'-P-C4' energy: -69.060 flat angles P-C4'-P energy: -40.963 tors. eta vs tors. theta energy: -88.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -999.760233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.760233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.760233 (E_RNA) where: Base-Base interactions energy: -694.146 where: short stacking energy: -274.381 Base-Backbone interact. energy: 0.839 local terms energy: -306.452570 where: bonds (distance) C4'-P energy: -61.276 bonds (distance) P-C4' energy: -54.803 flat angles C4'-P-C4' energy: -74.952 flat angles P-C4'-P energy: -48.591 tors. eta vs tors. theta energy: -66.831 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: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -800.772263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.772263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.772263 (E_RNA) where: Base-Base interactions energy: -533.683 where: short stacking energy: -216.058 Base-Backbone interact. energy: -1.844 local terms energy: -265.245187 where: bonds (distance) C4'-P energy: -54.506 bonds (distance) P-C4' energy: -61.442 flat angles C4'-P-C4' energy: -63.055 flat angles P-C4'-P energy: -50.042 tors. eta vs tors. theta energy: -36.201 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: 4 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -768.496340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.496340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.496340 (E_RNA) where: Base-Base interactions energy: -519.326 where: short stacking energy: -207.595 Base-Backbone interact. energy: -0.959 local terms energy: -248.211327 where: bonds (distance) C4'-P energy: -55.081 bonds (distance) P-C4' energy: -54.612 flat angles C4'-P-C4' energy: -66.717 flat angles P-C4'-P energy: -40.056 tors. eta vs tors. theta energy: -31.745 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: 32 Temperature: 0.900000 Total energy: -1443.531245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.531245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.531245 (E_RNA) where: Base-Base interactions energy: -1037.887 where: short stacking energy: -406.458 Base-Backbone interact. energy: 0.606 local terms energy: -406.249974 where: bonds (distance) C4'-P energy: -73.426 bonds (distance) P-C4' energy: -69.916 flat angles C4'-P-C4' energy: -93.042 flat angles P-C4'-P energy: -57.951 tors. eta vs tors. theta energy: -111.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1373.209617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.209617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.209617 (E_RNA) where: Base-Base interactions energy: -972.252 where: short stacking energy: -385.105 Base-Backbone interact. energy: -1.866 local terms energy: -399.091188 where: bonds (distance) C4'-P energy: -82.072 bonds (distance) P-C4' energy: -69.299 flat angles C4'-P-C4' energy: -88.041 flat angles P-C4'-P energy: -52.283 tors. eta vs tors. theta energy: -107.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1348.078969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.078969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.078969 (E_RNA) where: Base-Base interactions energy: -940.909 where: short stacking energy: -368.542 Base-Backbone interact. energy: -0.310 local terms energy: -406.859889 where: bonds (distance) C4'-P energy: -78.622 bonds (distance) P-C4' energy: -84.810 flat angles C4'-P-C4' energy: -86.656 flat angles P-C4'-P energy: -55.476 tors. eta vs tors. theta energy: -101.296 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: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1255.860289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.860289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.860289 (E_RNA) where: Base-Base interactions energy: -884.098 where: short stacking energy: -343.737 Base-Backbone interact. energy: -1.244 local terms energy: -370.518002 where: bonds (distance) C4'-P energy: -70.966 bonds (distance) P-C4' energy: -71.056 flat angles C4'-P-C4' energy: -72.264 flat angles P-C4'-P energy: -61.377 tors. eta vs tors. theta energy: -94.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1243.341760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.341760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.341760 (E_RNA) where: Base-Base interactions energy: -878.770 where: short stacking energy: -356.130 Base-Backbone interact. energy: -1.158 local terms energy: -363.413632 where: bonds (distance) C4'-P energy: -66.836 bonds (distance) P-C4' energy: -56.042 flat angles C4'-P-C4' energy: -91.280 flat angles P-C4'-P energy: -55.274 tors. eta vs tors. theta energy: -93.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1225.085684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.085684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.085684 (E_RNA) where: Base-Base interactions energy: -903.296 where: short stacking energy: -350.393 Base-Backbone interact. energy: 0.797 local terms energy: -322.586694 where: bonds (distance) C4'-P energy: -61.213 bonds (distance) P-C4' energy: -57.777 flat angles C4'-P-C4' energy: -69.424 flat angles P-C4'-P energy: -53.426 tors. eta vs tors. theta energy: -80.747 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: 3 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1074.581259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.581259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.581259 (E_RNA) where: Base-Base interactions energy: -740.021 where: short stacking energy: -308.174 Base-Backbone interact. energy: -1.721 local terms energy: -332.839917 where: bonds (distance) C4'-P energy: -63.601 bonds (distance) P-C4' energy: -77.603 flat angles C4'-P-C4' energy: -71.752 flat angles P-C4'-P energy: -35.295 tors. eta vs tors. theta energy: -84.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -995.776618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.776618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.776618 (E_RNA) where: Base-Base interactions energy: -698.604 where: short stacking energy: -294.871 Base-Backbone interact. energy: -1.080 local terms energy: -296.092998 where: bonds (distance) C4'-P energy: -59.073 bonds (distance) P-C4' energy: -61.307 flat angles C4'-P-C4' energy: -70.495 flat angles P-C4'-P energy: -34.577 tors. eta vs tors. theta energy: -70.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -864.895325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.895325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.895325 (E_RNA) where: Base-Base interactions energy: -608.525 where: short stacking energy: -271.633 Base-Backbone interact. energy: -1.036 local terms energy: -255.334423 where: bonds (distance) C4'-P energy: -53.964 bonds (distance) P-C4' energy: -55.875 flat angles C4'-P-C4' energy: -69.478 flat angles P-C4'-P energy: -21.544 tors. eta vs tors. theta energy: -54.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -771.785700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.785700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.785700 (E_RNA) where: Base-Base interactions energy: -521.664 where: short stacking energy: -210.183 Base-Backbone interact. energy: -0.369 local terms energy: -249.752452 where: bonds (distance) C4'-P energy: -48.055 bonds (distance) P-C4' energy: -59.869 flat angles C4'-P-C4' energy: -59.536 flat angles P-C4'-P energy: -33.829 tors. eta vs tors. theta energy: -48.464 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: 1, replica: 8 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1469.752396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.752396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.752396 (E_RNA) where: Base-Base interactions energy: -1063.734 where: short stacking energy: -423.310 Base-Backbone interact. energy: 0.061 local terms energy: -406.079604 where: bonds (distance) C4'-P energy: -79.264 bonds (distance) P-C4' energy: -74.293 flat angles C4'-P-C4' energy: -91.440 flat angles P-C4'-P energy: -53.271 tors. eta vs tors. theta energy: -107.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1361.207947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.207947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.207947 (E_RNA) where: Base-Base interactions energy: -952.325 where: short stacking energy: -375.612 Base-Backbone interact. energy: -2.282 local terms energy: -406.600538 where: bonds (distance) C4'-P energy: -82.234 bonds (distance) P-C4' energy: -73.494 flat angles C4'-P-C4' energy: -76.528 flat angles P-C4'-P energy: -65.017 tors. eta vs tors. theta energy: -109.327 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: 7 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1354.148210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.148210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.148210 (E_RNA) where: Base-Base interactions energy: -971.860 where: short stacking energy: -367.382 Base-Backbone interact. energy: -0.851 local terms energy: -381.437626 where: bonds (distance) C4'-P energy: -78.578 bonds (distance) P-C4' energy: -66.394 flat angles C4'-P-C4' energy: -90.670 flat angles P-C4'-P energy: -49.584 tors. eta vs tors. theta energy: -96.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1272.887335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.887335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.887335 (E_RNA) where: Base-Base interactions energy: -899.872 where: short stacking energy: -383.637 Base-Backbone interact. energy: -1.279 local terms energy: -371.735422 where: bonds (distance) C4'-P energy: -67.756 bonds (distance) P-C4' energy: -68.986 flat angles C4'-P-C4' energy: -77.645 flat angles P-C4'-P energy: -57.529 tors. eta vs tors. theta energy: -99.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1256.616429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.616429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.616429 (E_RNA) where: Base-Base interactions energy: -885.025 where: short stacking energy: -355.494 Base-Backbone interact. energy: -0.199 local terms energy: -371.391792 where: bonds (distance) C4'-P energy: -67.792 bonds (distance) P-C4' energy: -70.263 flat angles C4'-P-C4' energy: -79.468 flat angles P-C4'-P energy: -52.239 tors. eta vs tors. theta energy: -101.630 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: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1254.762144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.762144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.762144 (E_RNA) where: Base-Base interactions energy: -881.506 where: short stacking energy: -338.695 Base-Backbone interact. energy: -0.393 local terms energy: -372.863417 where: bonds (distance) C4'-P energy: -72.019 bonds (distance) P-C4' energy: -72.654 flat angles C4'-P-C4' energy: -79.614 flat angles P-C4'-P energy: -59.877 tors. eta vs tors. theta energy: -88.700 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: 3 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1135.927188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.927188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.927188 (E_RNA) where: Base-Base interactions energy: -794.974 where: short stacking energy: -303.998 Base-Backbone interact. energy: -0.371 local terms energy: -340.581754 where: bonds (distance) C4'-P energy: -53.093 bonds (distance) P-C4' energy: -70.011 flat angles C4'-P-C4' energy: -78.074 flat angles P-C4'-P energy: -54.584 tors. eta vs tors. theta energy: -84.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1018.615438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.615438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.615438 (E_RNA) where: Base-Base interactions energy: -705.703 where: short stacking energy: -273.087 Base-Backbone interact. energy: -1.511 local terms energy: -311.401623 where: bonds (distance) C4'-P energy: -56.233 bonds (distance) P-C4' energy: -59.374 flat angles C4'-P-C4' energy: -74.677 flat angles P-C4'-P energy: -52.706 tors. eta vs tors. theta energy: -68.411 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: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -893.730211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.730211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.730211 (E_RNA) where: Base-Base interactions energy: -599.593 where: short stacking energy: -256.677 Base-Backbone interact. energy: -0.521 local terms energy: -293.615797 where: bonds (distance) C4'-P energy: -53.968 bonds (distance) P-C4' energy: -48.071 flat angles C4'-P-C4' energy: -75.709 flat angles P-C4'-P energy: -55.904 tors. eta vs tors. theta energy: -59.964 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: 4 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -786.831174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.831174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.831174 (E_RNA) where: Base-Base interactions energy: -528.221 where: short stacking energy: -206.666 Base-Backbone interact. energy: -1.234 local terms energy: -257.376123 where: bonds (distance) C4'-P energy: -58.911 bonds (distance) P-C4' energy: -63.292 flat angles C4'-P-C4' energy: -49.466 flat angles P-C4'-P energy: -41.308 tors. eta vs tors. theta energy: -44.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1456.859439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.859439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.859439 (E_RNA) where: Base-Base interactions energy: -1037.144 where: short stacking energy: -408.656 Base-Backbone interact. energy: -0.871 local terms energy: -418.844666 where: bonds (distance) C4'-P energy: -80.124 bonds (distance) P-C4' energy: -78.976 flat angles C4'-P-C4' energy: -85.967 flat angles P-C4'-P energy: -58.869 tors. eta vs tors. theta energy: -114.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1397.073460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.073460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.073460 (E_RNA) where: Base-Base interactions energy: -1013.413 where: short stacking energy: -386.925 Base-Backbone interact. energy: -0.416 local terms energy: -383.245174 where: bonds (distance) C4'-P energy: -68.291 bonds (distance) P-C4' energy: -64.765 flat angles C4'-P-C4' energy: -84.157 flat angles P-C4'-P energy: -63.370 tors. eta vs tors. theta energy: -102.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1368.688984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.688984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.688984 (E_RNA) where: Base-Base interactions energy: -975.971 where: short stacking energy: -378.983 Base-Backbone interact. energy: 0.315 local terms energy: -393.033680 where: bonds (distance) C4'-P energy: -67.845 bonds (distance) P-C4' energy: -78.585 flat angles C4'-P-C4' energy: -86.077 flat angles P-C4'-P energy: -60.364 tors. eta vs tors. theta energy: -100.163 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: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1286.719380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.719380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.719380 (E_RNA) where: Base-Base interactions energy: -924.261 where: short stacking energy: -368.228 Base-Backbone interact. energy: -2.222 local terms energy: -360.236061 where: bonds (distance) C4'-P energy: -65.956 bonds (distance) P-C4' energy: -69.148 flat angles C4'-P-C4' energy: -74.855 flat angles P-C4'-P energy: -50.937 tors. eta vs tors. theta energy: -99.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1241.299676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.299676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.299676 (E_RNA) where: Base-Base interactions energy: -866.584 where: short stacking energy: -353.863 Base-Backbone interact. energy: 4.289 local terms energy: -379.004466 where: bonds (distance) C4'-P energy: -71.306 bonds (distance) P-C4' energy: -73.827 flat angles C4'-P-C4' energy: -77.589 flat angles P-C4'-P energy: -58.210 tors. eta vs tors. theta energy: -98.073 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: 34 Temperature: 1.150000 Total energy: -1263.883504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.883504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.883504 (E_RNA) where: Base-Base interactions energy: -918.525 where: short stacking energy: -355.725 Base-Backbone interact. energy: -1.147 local terms energy: -344.211548 where: bonds (distance) C4'-P energy: -60.748 bonds (distance) P-C4' energy: -61.328 flat angles C4'-P-C4' energy: -70.997 flat angles P-C4'-P energy: -53.226 tors. eta vs tors. theta energy: -97.913 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: 7, replica: 3 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1116.247067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.247067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.247067 (E_RNA) where: Base-Base interactions energy: -786.578 where: short stacking energy: -319.310 Base-Backbone interact. energy: -1.400 local terms energy: -328.269646 where: bonds (distance) C4'-P energy: -60.600 bonds (distance) P-C4' energy: -70.131 flat angles C4'-P-C4' energy: -70.434 flat angles P-C4'-P energy: -46.908 tors. eta vs tors. theta energy: -80.196 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: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1047.901646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.901646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.901646 (E_RNA) where: Base-Base interactions energy: -729.935 where: short stacking energy: -293.114 Base-Backbone interact. energy: 0.492 local terms energy: -318.459354 where: bonds (distance) C4'-P energy: -55.420 bonds (distance) P-C4' energy: -73.397 flat angles C4'-P-C4' energy: -76.360 flat angles P-C4'-P energy: -37.933 tors. eta vs tors. theta energy: -75.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -902.295859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.295859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.295859 (E_RNA) where: Base-Base interactions energy: -598.547 where: short stacking energy: -267.237 Base-Backbone interact. energy: 0.159 local terms energy: -303.908701 where: bonds (distance) C4'-P energy: -62.446 bonds (distance) P-C4' energy: -54.244 flat angles C4'-P-C4' energy: -76.046 flat angles P-C4'-P energy: -49.891 tors. eta vs tors. theta energy: -61.282 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: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -901.304270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.304270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.304270 (E_RNA) where: Base-Base interactions energy: -603.496 where: short stacking energy: -254.306 Base-Backbone interact. energy: 4.014 local terms energy: -301.822537 where: bonds (distance) C4'-P energy: -53.638 bonds (distance) P-C4' energy: -75.546 flat angles C4'-P-C4' energy: -66.950 flat angles P-C4'-P energy: -50.305 tors. eta vs tors. theta energy: -55.383 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: 8 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1471.367989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.367989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.367989 (E_RNA) where: Base-Base interactions energy: -1057.088 where: short stacking energy: -415.158 Base-Backbone interact. energy: 0.753 local terms energy: -415.032682 where: bonds (distance) C4'-P energy: -83.343 bonds (distance) P-C4' energy: -80.539 flat angles C4'-P-C4' energy: -83.298 flat angles P-C4'-P energy: -50.479 tors. eta vs tors. theta energy: -117.373 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: 5 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1397.197416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.197416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.197416 (E_RNA) where: Base-Base interactions energy: -1002.246 where: short stacking energy: -390.201 Base-Backbone interact. energy: -2.725 local terms energy: -392.226434 where: bonds (distance) C4'-P energy: -73.272 bonds (distance) P-C4' energy: -73.463 flat angles C4'-P-C4' energy: -76.639 flat angles P-C4'-P energy: -63.799 tors. eta vs tors. theta energy: -105.053 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: 3, replica: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1367.354707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.354707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.354707 (E_RNA) where: Base-Base interactions energy: -965.008 where: short stacking energy: -380.291 Base-Backbone interact. energy: 0.141 local terms energy: -402.487768 where: bonds (distance) C4'-P energy: -75.006 bonds (distance) P-C4' energy: -73.024 flat angles C4'-P-C4' energy: -85.802 flat angles P-C4'-P energy: -62.080 tors. eta vs tors. theta energy: -106.575 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: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1326.228952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.228952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.228952 (E_RNA) where: Base-Base interactions energy: -939.517 where: short stacking energy: -386.232 Base-Backbone interact. energy: -1.368 local terms energy: -385.343585 where: bonds (distance) C4'-P energy: -61.813 bonds (distance) P-C4' energy: -72.928 flat angles C4'-P-C4' energy: -82.894 flat angles P-C4'-P energy: -55.542 tors. eta vs tors. theta energy: -112.166 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: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1267.262459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.262459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.262459 (E_RNA) where: Base-Base interactions energy: -881.283 where: short stacking energy: -353.983 Base-Backbone interact. energy: 0.542 local terms energy: -386.521865 where: bonds (distance) C4'-P energy: -77.717 bonds (distance) P-C4' energy: -78.673 flat angles C4'-P-C4' energy: -77.465 flat angles P-C4'-P energy: -49.874 tors. eta vs tors. theta energy: -102.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1270.577267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.577267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.577267 (E_RNA) where: Base-Base interactions energy: -918.773 where: short stacking energy: -359.504 Base-Backbone interact. energy: 0.358 local terms energy: -352.161728 where: bonds (distance) C4'-P energy: -65.198 bonds (distance) P-C4' energy: -68.648 flat angles C4'-P-C4' energy: -71.291 flat angles P-C4'-P energy: -52.832 tors. eta vs tors. theta energy: -94.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1067.355270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.355270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.355270 (E_RNA) where: Base-Base interactions energy: -769.021 where: short stacking energy: -301.315 Base-Backbone interact. energy: 3.202 local terms energy: -301.536199 where: bonds (distance) C4'-P energy: -58.133 bonds (distance) P-C4' energy: -60.342 flat angles C4'-P-C4' energy: -72.144 flat angles P-C4'-P energy: -39.034 tors. eta vs tors. theta energy: -71.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1048.438957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.438957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.438957 (E_RNA) where: Base-Base interactions energy: -731.672 where: short stacking energy: -276.106 Base-Backbone interact. energy: -1.040 local terms energy: -315.727289 where: bonds (distance) C4'-P energy: -58.533 bonds (distance) P-C4' energy: -70.904 flat angles C4'-P-C4' energy: -72.799 flat angles P-C4'-P energy: -48.585 tors. eta vs tors. theta energy: -64.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -880.228123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.228123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.228123 (E_RNA) where: Base-Base interactions energy: -621.364 where: short stacking energy: -269.132 Base-Backbone interact. energy: 0.294 local terms energy: -259.158112 where: bonds (distance) C4'-P energy: -45.004 bonds (distance) P-C4' energy: -38.583 flat angles C4'-P-C4' energy: -59.744 flat angles P-C4'-P energy: -44.270 tors. eta vs tors. theta energy: -71.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -940.919932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.919932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.919932 (E_RNA) where: Base-Base interactions energy: -660.727 where: short stacking energy: -267.303 Base-Backbone interact. energy: 0.231 local terms energy: -280.423079 where: bonds (distance) C4'-P energy: -63.984 bonds (distance) P-C4' energy: -53.999 flat angles C4'-P-C4' energy: -51.681 flat angles P-C4'-P energy: -36.099 tors. eta vs tors. theta energy: -74.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1459.668726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.668726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.668726 (E_RNA) where: Base-Base interactions energy: -1049.480 where: short stacking energy: -413.216 Base-Backbone interact. energy: 0.042 local terms energy: -410.230538 where: bonds (distance) C4'-P energy: -74.907 bonds (distance) P-C4' energy: -80.529 flat angles C4'-P-C4' energy: -82.841 flat angles P-C4'-P energy: -57.553 tors. eta vs tors. theta energy: -114.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1403.343421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.343421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.343421 (E_RNA) where: Base-Base interactions energy: -998.076 where: short stacking energy: -397.481 Base-Backbone interact. energy: -2.122 local terms energy: -403.144950 where: bonds (distance) C4'-P energy: -66.405 bonds (distance) P-C4' energy: -73.532 flat angles C4'-P-C4' energy: -86.980 flat angles P-C4'-P energy: -62.109 tors. eta vs tors. theta energy: -114.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1389.328177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.328177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.328177 (E_RNA) where: Base-Base interactions energy: -1000.962 where: short stacking energy: -391.862 Base-Backbone interact. energy: -1.084 local terms energy: -387.281473 where: bonds (distance) C4'-P energy: -75.194 bonds (distance) P-C4' energy: -75.028 flat angles C4'-P-C4' energy: -75.453 flat angles P-C4'-P energy: -56.195 tors. eta vs tors. theta energy: -105.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1328.066642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.066642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.066642 (E_RNA) where: Base-Base interactions energy: -926.965 where: short stacking energy: -381.593 Base-Backbone interact. energy: -0.058 local terms energy: -401.042978 where: bonds (distance) C4'-P energy: -71.395 bonds (distance) P-C4' energy: -76.728 flat angles C4'-P-C4' energy: -77.996 flat angles P-C4'-P energy: -63.391 tors. eta vs tors. theta energy: -111.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1258.032279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.032279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.032279 (E_RNA) where: Base-Base interactions energy: -896.501 where: short stacking energy: -365.037 Base-Backbone interact. energy: 0.112 local terms energy: -361.642824 where: bonds (distance) C4'-P energy: -67.404 bonds (distance) P-C4' energy: -69.760 flat angles C4'-P-C4' energy: -78.127 flat angles P-C4'-P energy: -47.034 tors. eta vs tors. theta energy: -99.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1316.132665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.132665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.132665 (E_RNA) where: Base-Base interactions energy: -963.977 where: short stacking energy: -369.187 Base-Backbone interact. energy: 2.002 local terms energy: -354.157537 where: bonds (distance) C4'-P energy: -50.380 bonds (distance) P-C4' energy: -58.849 flat angles C4'-P-C4' energy: -88.885 flat angles P-C4'-P energy: -53.765 tors. eta vs tors. theta energy: -102.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1074.994835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.994835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.994835 (E_RNA) where: Base-Base interactions energy: -748.377 where: short stacking energy: -314.652 Base-Backbone interact. energy: 1.161 local terms energy: -327.779303 where: bonds (distance) C4'-P energy: -61.520 bonds (distance) P-C4' energy: -75.705 flat angles C4'-P-C4' energy: -72.743 flat angles P-C4'-P energy: -38.817 tors. eta vs tors. theta energy: -78.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1054.308010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.308010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.308010 (E_RNA) where: Base-Base interactions energy: -767.257 where: short stacking energy: -304.516 Base-Backbone interact. energy: 5.215 local terms energy: -292.266285 where: bonds (distance) C4'-P energy: -61.628 bonds (distance) P-C4' energy: -38.960 flat angles C4'-P-C4' energy: -73.376 flat angles P-C4'-P energy: -35.495 tors. eta vs tors. theta energy: -82.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -916.469625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.469625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.469625 (E_RNA) where: Base-Base interactions energy: -612.566 where: short stacking energy: -255.263 Base-Backbone interact. energy: -1.151 local terms energy: -302.752056 where: bonds (distance) C4'-P energy: -72.857 bonds (distance) P-C4' energy: -67.628 flat angles C4'-P-C4' energy: -65.698 flat angles P-C4'-P energy: -37.628 tors. eta vs tors. theta energy: -58.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -835.557635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.557635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.557635 (E_RNA) where: Base-Base interactions energy: -581.108 where: short stacking energy: -223.339 Base-Backbone interact. energy: -0.037 local terms energy: -254.412560 where: bonds (distance) C4'-P energy: -56.593 bonds (distance) P-C4' energy: -64.269 flat angles C4'-P-C4' energy: -58.073 flat angles P-C4'-P energy: -29.822 tors. eta vs tors. theta energy: -45.655 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: 37 Temperature: 0.900000 Total energy: -1467.501422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.501422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.501422 (E_RNA) where: Base-Base interactions energy: -1074.403 where: short stacking energy: -422.562 Base-Backbone interact. energy: -0.374 local terms energy: -392.724454 where: bonds (distance) C4'-P energy: -65.686 bonds (distance) P-C4' energy: -72.483 flat angles C4'-P-C4' energy: -87.348 flat angles P-C4'-P energy: -57.611 tors. eta vs tors. theta energy: -109.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1387.840145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.840145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.840145 (E_RNA) where: Base-Base interactions energy: -997.592 where: short stacking energy: -382.976 Base-Backbone interact. energy: -1.062 local terms energy: -389.186179 where: bonds (distance) C4'-P energy: -64.614 bonds (distance) P-C4' energy: -75.330 flat angles C4'-P-C4' energy: -90.417 flat angles P-C4'-P energy: -60.522 tors. eta vs tors. theta energy: -98.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1357.318754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.318754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.318754 (E_RNA) where: Base-Base interactions energy: -954.024 where: short stacking energy: -386.383 Base-Backbone interact. energy: -0.351 local terms energy: -402.942882 where: bonds (distance) C4'-P energy: -67.165 bonds (distance) P-C4' energy: -77.143 flat angles C4'-P-C4' energy: -83.469 flat angles P-C4'-P energy: -63.464 tors. eta vs tors. theta energy: -111.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1327.094834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.094834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.094834 (E_RNA) where: Base-Base interactions energy: -942.679 where: short stacking energy: -379.752 Base-Backbone interact. energy: 1.126 local terms energy: -385.542092 where: bonds (distance) C4'-P energy: -62.990 bonds (distance) P-C4' energy: -72.017 flat angles C4'-P-C4' energy: -83.165 flat angles P-C4'-P energy: -56.384 tors. eta vs tors. theta energy: -110.985 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: 2 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1226.079487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.079487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.079487 (E_RNA) where: Base-Base interactions energy: -855.700 where: short stacking energy: -336.719 Base-Backbone interact. energy: -0.859 local terms energy: -369.520624 where: bonds (distance) C4'-P energy: -68.955 bonds (distance) P-C4' energy: -71.289 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -56.769 tors. eta vs tors. theta energy: -96.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1321.844111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.844111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.844111 (E_RNA) where: Base-Base interactions energy: -960.956 where: short stacking energy: -352.330 Base-Backbone interact. energy: -1.853 local terms energy: -359.035117 where: bonds (distance) C4'-P energy: -66.082 bonds (distance) P-C4' energy: -58.007 flat angles C4'-P-C4' energy: -79.022 flat angles P-C4'-P energy: -57.531 tors. eta vs tors. theta energy: -98.393 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: 3 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1111.711105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.711105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.711105 (E_RNA) where: Base-Base interactions energy: -778.790 where: short stacking energy: -303.060 Base-Backbone interact. energy: -0.468 local terms energy: -332.453217 where: bonds (distance) C4'-P energy: -69.349 bonds (distance) P-C4' energy: -68.711 flat angles C4'-P-C4' energy: -63.644 flat angles P-C4'-P energy: -53.271 tors. eta vs tors. theta energy: -77.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1075.819463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.819463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.819463 (E_RNA) where: Base-Base interactions energy: -772.382 where: short stacking energy: -298.224 Base-Backbone interact. energy: -1.878 local terms energy: -301.559235 where: bonds (distance) C4'-P energy: -45.780 bonds (distance) P-C4' energy: -58.756 flat angles C4'-P-C4' energy: -71.587 flat angles P-C4'-P energy: -56.989 tors. eta vs tors. theta energy: -68.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -968.998119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.998119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.998119 (E_RNA) where: Base-Base interactions energy: -681.981 where: short stacking energy: -285.100 Base-Backbone interact. energy: 0.200 local terms energy: -287.216920 where: bonds (distance) C4'-P energy: -57.933 bonds (distance) P-C4' energy: -51.397 flat angles C4'-P-C4' energy: -75.262 flat angles P-C4'-P energy: -38.757 tors. eta vs tors. theta energy: -63.868 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: 4 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -873.037581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.037581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.037581 (E_RNA) where: Base-Base interactions energy: -570.987 where: short stacking energy: -234.956 Base-Backbone interact. energy: -1.597 local terms energy: -300.453199 where: bonds (distance) C4'-P energy: -70.056 bonds (distance) P-C4' energy: -70.877 flat angles C4'-P-C4' energy: -63.622 flat angles P-C4'-P energy: -41.495 tors. eta vs tors. theta energy: -54.402 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: 38 Temperature: 0.900000 Total energy: -1463.023070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.023070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.023070 (E_RNA) where: Base-Base interactions energy: -1063.026 where: short stacking energy: -411.491 Base-Backbone interact. energy: -1.439 local terms energy: -398.558255 where: bonds (distance) C4'-P energy: -77.733 bonds (distance) P-C4' energy: -75.569 flat angles C4'-P-C4' energy: -83.533 flat angles P-C4'-P energy: -45.969 tors. eta vs tors. theta energy: -115.754 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: 7 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1419.284598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.284598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.284598 (E_RNA) where: Base-Base interactions energy: -1011.621 where: short stacking energy: -402.609 Base-Backbone interact. energy: 0.093 local terms energy: -407.755831 where: bonds (distance) C4'-P energy: -75.400 bonds (distance) P-C4' energy: -73.786 flat angles C4'-P-C4' energy: -87.144 flat angles P-C4'-P energy: -60.987 tors. eta vs tors. theta energy: -110.438 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: 3, replica: 5 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1348.876260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.876260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.876260 (E_RNA) where: Base-Base interactions energy: -947.586 where: short stacking energy: -387.016 Base-Backbone interact. energy: 0.775 local terms energy: -402.064943 where: bonds (distance) C4'-P energy: -63.300 bonds (distance) P-C4' energy: -74.564 flat angles C4'-P-C4' energy: -92.347 flat angles P-C4'-P energy: -68.833 tors. eta vs tors. theta energy: -103.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1332.176875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.176875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.176875 (E_RNA) where: Base-Base interactions energy: -955.424 where: short stacking energy: -369.472 Base-Backbone interact. energy: 0.976 local terms energy: -377.728653 where: bonds (distance) C4'-P energy: -67.061 bonds (distance) P-C4' energy: -74.856 flat angles C4'-P-C4' energy: -79.797 flat angles P-C4'-P energy: -51.255 tors. eta vs tors. theta energy: -104.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1394.966316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.966316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.966316 (E_RNA) where: Base-Base interactions energy: -1044.676 where: short stacking energy: -387.933 Base-Backbone interact. energy: 1.066 local terms energy: -351.356678 where: bonds (distance) C4'-P energy: -65.726 bonds (distance) P-C4' energy: -56.271 flat angles C4'-P-C4' energy: -83.841 flat angles P-C4'-P energy: -36.429 tors. eta vs tors. theta energy: -109.090 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: 2 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1227.172208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.172208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.172208 (E_RNA) where: Base-Base interactions energy: -881.297 where: short stacking energy: -355.665 Base-Backbone interact. energy: 0.068 local terms energy: -345.943339 where: bonds (distance) C4'-P energy: -55.863 bonds (distance) P-C4' energy: -64.536 flat angles C4'-P-C4' energy: -79.418 flat angles P-C4'-P energy: -46.820 tors. eta vs tors. theta energy: -99.306 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: 3 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1122.073490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.073490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.073490 (E_RNA) where: Base-Base interactions energy: -765.521 where: short stacking energy: -324.443 Base-Backbone interact. energy: 0.318 local terms energy: -356.870425 where: bonds (distance) C4'-P energy: -72.534 bonds (distance) P-C4' energy: -68.520 flat angles C4'-P-C4' energy: -80.016 flat angles P-C4'-P energy: -39.529 tors. eta vs tors. theta energy: -96.272 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: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1082.566415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.566415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.566415 (E_RNA) where: Base-Base interactions energy: -753.702 where: short stacking energy: -295.702 Base-Backbone interact. energy: 1.982 local terms energy: -330.846066 where: bonds (distance) C4'-P energy: -60.903 bonds (distance) P-C4' energy: -79.769 flat angles C4'-P-C4' energy: -75.261 flat angles P-C4'-P energy: -44.943 tors. eta vs tors. theta energy: -69.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -981.027277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.027277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.027277 (E_RNA) where: Base-Base interactions energy: -687.537 where: short stacking energy: -285.890 Base-Backbone interact. energy: 0.214 local terms energy: -293.703584 where: bonds (distance) C4'-P energy: -50.371 bonds (distance) P-C4' energy: -55.682 flat angles C4'-P-C4' energy: -69.958 flat angles P-C4'-P energy: -43.214 tors. eta vs tors. theta energy: -74.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -922.048732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.048732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.048732 (E_RNA) where: Base-Base interactions energy: -622.981 where: short stacking energy: -261.495 Base-Backbone interact. energy: 1.272 local terms energy: -300.339579 where: bonds (distance) C4'-P energy: -68.345 bonds (distance) P-C4' energy: -64.026 flat angles C4'-P-C4' energy: -74.582 flat angles P-C4'-P energy: -35.509 tors. eta vs tors. theta energy: -57.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1470.147745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.147745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.147745 (E_RNA) where: Base-Base interactions energy: -1063.854 where: short stacking energy: -416.158 Base-Backbone interact. energy: -0.166 local terms energy: -406.127670 where: bonds (distance) C4'-P energy: -71.031 bonds (distance) P-C4' energy: -77.794 flat angles C4'-P-C4' energy: -87.496 flat angles P-C4'-P energy: -50.456 tors. eta vs tors. theta energy: -119.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1452.393849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.393849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.393849 (E_RNA) where: Base-Base interactions energy: -1038.566 where: short stacking energy: -411.591 Base-Backbone interact. energy: -1.591 local terms energy: -412.237058 where: bonds (distance) C4'-P energy: -80.615 bonds (distance) P-C4' energy: -75.100 flat angles C4'-P-C4' energy: -92.710 flat angles P-C4'-P energy: -55.839 tors. eta vs tors. theta energy: -107.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1390.488731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.488731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.488731 (E_RNA) where: Base-Base interactions energy: -1015.745 where: short stacking energy: -396.956 Base-Backbone interact. energy: 0.877 local terms energy: -375.620526 where: bonds (distance) C4'-P energy: -59.243 bonds (distance) P-C4' energy: -60.281 flat angles C4'-P-C4' energy: -88.522 flat angles P-C4'-P energy: -56.937 tors. eta vs tors. theta energy: -110.638 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: 4, replica: 6 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1401.439687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.439687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.439687 (E_RNA) where: Base-Base interactions energy: -1006.537 where: short stacking energy: -388.437 Base-Backbone interact. energy: -0.117 local terms energy: -394.785743 where: bonds (distance) C4'-P energy: -74.185 bonds (distance) P-C4' energy: -72.563 flat angles C4'-P-C4' energy: -85.558 flat angles P-C4'-P energy: -55.969 tors. eta vs tors. theta energy: -106.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1290.201420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.201420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.201420 (E_RNA) where: Base-Base interactions energy: -924.545 where: short stacking energy: -390.253 Base-Backbone interact. energy: -2.550 local terms energy: -363.106478 where: bonds (distance) C4'-P energy: -61.705 bonds (distance) P-C4' energy: -60.798 flat angles C4'-P-C4' energy: -87.942 flat angles P-C4'-P energy: -46.638 tors. eta vs tors. theta energy: -106.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1216.687484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.687484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.687484 (E_RNA) where: Base-Base interactions energy: -870.087 where: short stacking energy: -344.714 Base-Backbone interact. energy: -1.923 local terms energy: -344.677585 where: bonds (distance) C4'-P energy: -57.157 bonds (distance) P-C4' energy: -69.575 flat angles C4'-P-C4' energy: -73.302 flat angles P-C4'-P energy: -53.432 tors. eta vs tors. theta energy: -91.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1112.143178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.143178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.143178 (E_RNA) where: Base-Base interactions energy: -765.612 where: short stacking energy: -311.511 Base-Backbone interact. energy: 0.127 local terms energy: -346.658300 where: bonds (distance) C4'-P energy: -55.524 bonds (distance) P-C4' energy: -65.309 flat angles C4'-P-C4' energy: -79.945 flat angles P-C4'-P energy: -52.329 tors. eta vs tors. theta energy: -93.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1094.826837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.826837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.826837 (E_RNA) where: Base-Base interactions energy: -798.527 where: short stacking energy: -321.852 Base-Backbone interact. energy: -0.211 local terms energy: -296.088533 where: bonds (distance) C4'-P energy: -55.120 bonds (distance) P-C4' energy: -70.782 flat angles C4'-P-C4' energy: -66.947 flat angles P-C4'-P energy: -33.854 tors. eta vs tors. theta energy: -69.386 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: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1001.087684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.087684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.087684 (E_RNA) where: Base-Base interactions energy: -703.162 where: short stacking energy: -293.406 Base-Backbone interact. energy: -0.683 local terms energy: -297.242305 where: bonds (distance) C4'-P energy: -54.938 bonds (distance) P-C4' energy: -60.815 flat angles C4'-P-C4' energy: -66.699 flat angles P-C4'-P energy: -40.836 tors. eta vs tors. theta energy: -73.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -870.753173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.753173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.753173 (E_RNA) where: Base-Base interactions energy: -586.652 where: short stacking energy: -247.758 Base-Backbone interact. energy: -1.796 local terms energy: -282.305400 where: bonds (distance) C4'-P energy: -64.409 bonds (distance) P-C4' energy: -54.012 flat angles C4'-P-C4' energy: -75.026 flat angles P-C4'-P energy: -30.043 tors. eta vs tors. theta energy: -58.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1440.218216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.218216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.218216 (E_RNA) where: Base-Base interactions energy: -1045.277 where: short stacking energy: -396.266 Base-Backbone interact. energy: -1.429 local terms energy: -393.512438 where: bonds (distance) C4'-P energy: -68.177 bonds (distance) P-C4' energy: -76.706 flat angles C4'-P-C4' energy: -85.485 flat angles P-C4'-P energy: -59.586 tors. eta vs tors. theta energy: -103.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1434.437250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.437250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.437250 (E_RNA) where: Base-Base interactions energy: -1040.358 where: short stacking energy: -412.900 Base-Backbone interact. energy: -1.313 local terms energy: -392.765904 where: bonds (distance) C4'-P energy: -63.849 bonds (distance) P-C4' energy: -71.342 flat angles C4'-P-C4' energy: -85.484 flat angles P-C4'-P energy: -56.313 tors. eta vs tors. theta energy: -115.777 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: 6 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1447.700552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.700552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.700552 (E_RNA) where: Base-Base interactions energy: -1062.931 where: short stacking energy: -403.976 Base-Backbone interact. energy: 2.174 local terms energy: -386.943772 where: bonds (distance) C4'-P energy: -67.709 bonds (distance) P-C4' energy: -62.874 flat angles C4'-P-C4' energy: -79.321 flat angles P-C4'-P energy: -63.434 tors. eta vs tors. theta energy: -113.606 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: 4, replica: 5 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1416.652778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.652778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.652778 (E_RNA) where: Base-Base interactions energy: -1032.219 where: short stacking energy: -402.413 Base-Backbone interact. energy: -2.969 local terms energy: -381.464817 where: bonds (distance) C4'-P energy: -70.753 bonds (distance) P-C4' energy: -65.824 flat angles C4'-P-C4' energy: -75.685 flat angles P-C4'-P energy: -62.193 tors. eta vs tors. theta energy: -107.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1271.939159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.939159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.939159 (E_RNA) where: Base-Base interactions energy: -897.193 where: short stacking energy: -365.265 Base-Backbone interact. energy: -1.527 local terms energy: -373.219129 where: bonds (distance) C4'-P energy: -67.247 bonds (distance) P-C4' energy: -70.926 flat angles C4'-P-C4' energy: -73.344 flat angles P-C4'-P energy: -55.050 tors. eta vs tors. theta energy: -106.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1198.041504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.041504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.041504 (E_RNA) where: Base-Base interactions energy: -856.944 where: short stacking energy: -333.234 Base-Backbone interact. energy: 0.700 local terms energy: -341.796808 where: bonds (distance) C4'-P energy: -59.170 bonds (distance) P-C4' energy: -66.941 flat angles C4'-P-C4' energy: -76.314 flat angles P-C4'-P energy: -51.129 tors. eta vs tors. theta energy: -88.243 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: 10 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1188.080179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.080179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.080179 (E_RNA) where: Base-Base interactions energy: -869.918 where: short stacking energy: -344.459 Base-Backbone interact. energy: -1.543 local terms energy: -316.619998 where: bonds (distance) C4'-P energy: -51.187 bonds (distance) P-C4' energy: -47.102 flat angles C4'-P-C4' energy: -76.407 flat angles P-C4'-P energy: -57.270 tors. eta vs tors. theta energy: -84.655 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: 3 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1078.909031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.909031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.909031 (E_RNA) where: Base-Base interactions energy: -747.411 where: short stacking energy: -300.933 Base-Backbone interact. energy: -0.199 local terms energy: -331.299501 where: bonds (distance) C4'-P energy: -60.511 bonds (distance) P-C4' energy: -66.981 flat angles C4'-P-C4' energy: -75.771 flat angles P-C4'-P energy: -51.332 tors. eta vs tors. theta energy: -76.704 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: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -996.247814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.247814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.247814 (E_RNA) where: Base-Base interactions energy: -678.816 where: short stacking energy: -285.672 Base-Backbone interact. energy: -0.686 local terms energy: -316.745222 where: bonds (distance) C4'-P energy: -58.670 bonds (distance) P-C4' energy: -68.995 flat angles C4'-P-C4' energy: -72.514 flat angles P-C4'-P energy: -44.590 tors. eta vs tors. theta energy: -71.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -913.128661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.128661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.128661 (E_RNA) where: Base-Base interactions energy: -619.207 where: short stacking energy: -277.525 Base-Backbone interact. energy: -0.390 local terms energy: -293.531442 where: bonds (distance) C4'-P energy: -43.036 bonds (distance) P-C4' energy: -58.812 flat angles C4'-P-C4' energy: -65.690 flat angles P-C4'-P energy: -49.463 tors. eta vs tors. theta energy: -76.531 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: 7 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1460.939579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.939579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.939579 (E_RNA) where: Base-Base interactions energy: -1042.880 where: short stacking energy: -410.197 Base-Backbone interact. energy: -2.702 local terms energy: -415.357530 where: bonds (distance) C4'-P energy: -76.804 bonds (distance) P-C4' energy: -88.463 flat angles C4'-P-C4' energy: -88.548 flat angles P-C4'-P energy: -54.925 tors. eta vs tors. theta energy: -106.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1451.279375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.279375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.279375 (E_RNA) where: Base-Base interactions energy: -1060.855 where: short stacking energy: -399.545 Base-Backbone interact. energy: -1.813 local terms energy: -388.610669 where: bonds (distance) C4'-P energy: -74.421 bonds (distance) P-C4' energy: -70.490 flat angles C4'-P-C4' energy: -77.257 flat angles P-C4'-P energy: -59.883 tors. eta vs tors. theta energy: -106.560 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: 8 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1421.132299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.132299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.132299 (E_RNA) where: Base-Base interactions energy: -998.575 where: short stacking energy: -400.650 Base-Backbone interact. energy: -1.382 local terms energy: -421.175887 where: bonds (distance) C4'-P energy: -77.856 bonds (distance) P-C4' energy: -75.600 flat angles C4'-P-C4' energy: -88.079 flat angles P-C4'-P energy: -61.697 tors. eta vs tors. theta energy: -117.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1366.574130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.574130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.574130 (E_RNA) where: Base-Base interactions energy: -995.451 where: short stacking energy: -396.681 Base-Backbone interact. energy: 0.329 local terms energy: -371.451552 where: bonds (distance) C4'-P energy: -64.027 bonds (distance) P-C4' energy: -63.593 flat angles C4'-P-C4' energy: -76.056 flat angles P-C4'-P energy: -57.018 tors. eta vs tors. theta energy: -110.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1280.615807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.615807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.615807 (E_RNA) where: Base-Base interactions energy: -919.543 where: short stacking energy: -365.687 Base-Backbone interact. energy: -2.696 local terms energy: -358.377012 where: bonds (distance) C4'-P energy: -70.044 bonds (distance) P-C4' energy: -68.799 flat angles C4'-P-C4' energy: -75.771 flat angles P-C4'-P energy: -40.053 tors. eta vs tors. theta energy: -103.710 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: 6, replica: 10 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1201.156871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.156871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.156871 (E_RNA) where: Base-Base interactions energy: -831.369 where: short stacking energy: -336.136 Base-Backbone interact. energy: -0.562 local terms energy: -369.225911 where: bonds (distance) C4'-P energy: -76.516 bonds (distance) P-C4' energy: -77.941 flat angles C4'-P-C4' energy: -80.095 flat angles P-C4'-P energy: -40.974 tors. eta vs tors. theta energy: -93.700 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: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1241.798483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.798483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.798483 (E_RNA) where: Base-Base interactions energy: -910.301 where: short stacking energy: -350.970 Base-Backbone interact. energy: -1.256 local terms energy: -330.241384 where: bonds (distance) C4'-P energy: -62.830 bonds (distance) P-C4' energy: -68.654 flat angles C4'-P-C4' energy: -66.381 flat angles P-C4'-P energy: -36.507 tors. eta vs tors. theta energy: -95.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1052.430109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.430109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.430109 (E_RNA) where: Base-Base interactions energy: -734.183 where: short stacking energy: -277.853 Base-Backbone interact. energy: -1.655 local terms energy: -316.591751 where: bonds (distance) C4'-P energy: -45.094 bonds (distance) P-C4' energy: -71.196 flat angles C4'-P-C4' energy: -79.191 flat angles P-C4'-P energy: -49.148 tors. eta vs tors. theta energy: -71.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1025.686064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.686064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.686064 (E_RNA) where: Base-Base interactions energy: -694.691 where: short stacking energy: -290.179 Base-Backbone interact. energy: 1.273 local terms energy: -332.267876 where: bonds (distance) C4'-P energy: -63.547 bonds (distance) P-C4' energy: -59.934 flat angles C4'-P-C4' energy: -79.945 flat angles P-C4'-P energy: -50.131 tors. eta vs tors. theta energy: -78.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -900.468846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.468846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.468846 (E_RNA) where: Base-Base interactions energy: -592.680 where: short stacking energy: -250.469 Base-Backbone interact. energy: -0.630 local terms energy: -307.158845 where: bonds (distance) C4'-P energy: -59.172 bonds (distance) P-C4' energy: -65.720 flat angles C4'-P-C4' energy: -74.045 flat angles P-C4'-P energy: -40.203 tors. eta vs tors. theta energy: -68.019 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: 6 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1483.419604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.419604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.419604 (E_RNA) where: Base-Base interactions energy: -1067.488 where: short stacking energy: -411.563 Base-Backbone interact. energy: 2.073 local terms energy: -418.005426 where: bonds (distance) C4'-P energy: -79.431 bonds (distance) P-C4' energy: -76.726 flat angles C4'-P-C4' energy: -89.045 flat angles P-C4'-P energy: -58.148 tors. eta vs tors. theta energy: -114.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1424.791090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.791090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.791090 (E_RNA) where: Base-Base interactions energy: -1029.896 where: short stacking energy: -412.512 Base-Backbone interact. energy: 3.019 local terms energy: -397.913768 where: bonds (distance) C4'-P energy: -71.811 bonds (distance) P-C4' energy: -71.887 flat angles C4'-P-C4' energy: -82.981 flat angles P-C4'-P energy: -58.474 tors. eta vs tors. theta energy: -112.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1404.529256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.529256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.529256 (E_RNA) where: Base-Base interactions energy: -1011.672 where: short stacking energy: -393.126 Base-Backbone interact. energy: -0.458 local terms energy: -392.399373 where: bonds (distance) C4'-P energy: -69.460 bonds (distance) P-C4' energy: -70.614 flat angles C4'-P-C4' energy: -88.695 flat angles P-C4'-P energy: -55.978 tors. eta vs tors. theta energy: -107.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1394.218764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.218764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.218764 (E_RNA) where: Base-Base interactions energy: -1007.165 where: short stacking energy: -383.332 Base-Backbone interact. energy: -0.851 local terms energy: -386.202571 where: bonds (distance) C4'-P energy: -65.002 bonds (distance) P-C4' energy: -59.754 flat angles C4'-P-C4' energy: -89.579 flat angles P-C4'-P energy: -63.688 tors. eta vs tors. theta energy: -108.181 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: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1306.957171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.957171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.957171 (E_RNA) where: Base-Base interactions energy: -933.107 where: short stacking energy: -371.908 Base-Backbone interact. energy: -1.192 local terms energy: -372.657645 where: bonds (distance) C4'-P energy: -65.387 bonds (distance) P-C4' energy: -66.688 flat angles C4'-P-C4' energy: -86.623 flat angles P-C4'-P energy: -50.480 tors. eta vs tors. theta energy: -103.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1221.914237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.914237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.914237 (E_RNA) where: Base-Base interactions energy: -844.799 where: short stacking energy: -342.599 Base-Backbone interact. energy: -1.779 local terms energy: -375.336238 where: bonds (distance) C4'-P energy: -72.254 bonds (distance) P-C4' energy: -74.366 flat angles C4'-P-C4' energy: -71.826 flat angles P-C4'-P energy: -54.727 tors. eta vs tors. theta energy: -102.164 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: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1184.307219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.307219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.307219 (E_RNA) where: Base-Base interactions energy: -848.876 where: short stacking energy: -327.645 Base-Backbone interact. energy: 2.737 local terms energy: -338.168655 where: bonds (distance) C4'-P energy: -60.589 bonds (distance) P-C4' energy: -72.238 flat angles C4'-P-C4' energy: -70.222 flat angles P-C4'-P energy: -47.184 tors. eta vs tors. theta energy: -87.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1069.083957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.083957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.083957 (E_RNA) where: Base-Base interactions energy: -740.635 where: short stacking energy: -305.439 Base-Backbone interact. energy: -1.148 local terms energy: -327.300384 where: bonds (distance) C4'-P energy: -60.524 bonds (distance) P-C4' energy: -50.412 flat angles C4'-P-C4' energy: -76.665 flat angles P-C4'-P energy: -51.782 tors. eta vs tors. theta energy: -87.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1006.101711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.101711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.101711 (E_RNA) where: Base-Base interactions energy: -702.573 where: short stacking energy: -278.779 Base-Backbone interact. energy: -0.439 local terms energy: -303.089734 where: bonds (distance) C4'-P energy: -61.799 bonds (distance) P-C4' energy: -63.838 flat angles C4'-P-C4' energy: -55.097 flat angles P-C4'-P energy: -43.781 tors. eta vs tors. theta energy: -78.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -869.820754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.820754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.820754 (E_RNA) where: Base-Base interactions energy: -602.190 where: short stacking energy: -256.120 Base-Backbone interact. energy: 2.113 local terms energy: -269.743258 where: bonds (distance) C4'-P energy: -47.884 bonds (distance) P-C4' energy: -66.662 flat angles C4'-P-C4' energy: -71.765 flat angles P-C4'-P energy: -33.841 tors. eta vs tors. theta energy: -49.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1499.305920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.305920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.305920 (E_RNA) where: Base-Base interactions energy: -1098.376 where: short stacking energy: -428.456 Base-Backbone interact. energy: -0.030 local terms energy: -400.900095 where: bonds (distance) C4'-P energy: -78.076 bonds (distance) P-C4' energy: -71.359 flat angles C4'-P-C4' energy: -82.552 flat angles P-C4'-P energy: -55.086 tors. eta vs tors. theta energy: -113.828 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: 8 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1425.779797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.779797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.779797 (E_RNA) where: Base-Base interactions energy: -1037.150 where: short stacking energy: -399.241 Base-Backbone interact. energy: -0.079 local terms energy: -388.550968 where: bonds (distance) C4'-P energy: -77.890 bonds (distance) P-C4' energy: -69.384 flat angles C4'-P-C4' energy: -84.637 flat angles P-C4'-P energy: -52.337 tors. eta vs tors. theta energy: -104.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1413.233165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.233165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.233165 (E_RNA) where: Base-Base interactions energy: -1000.430 where: short stacking energy: -393.183 Base-Backbone interact. energy: -0.969 local terms energy: -411.834000 where: bonds (distance) C4'-P energy: -74.977 bonds (distance) P-C4' energy: -78.364 flat angles C4'-P-C4' energy: -90.445 flat angles P-C4'-P energy: -61.185 tors. eta vs tors. theta energy: -106.862 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: 4, replica: 5 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1393.726609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.726609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.726609 (E_RNA) where: Base-Base interactions energy: -1030.090 where: short stacking energy: -396.022 Base-Backbone interact. energy: 3.602 local terms energy: -367.238935 where: bonds (distance) C4'-P energy: -70.618 bonds (distance) P-C4' energy: -60.449 flat angles C4'-P-C4' energy: -78.145 flat angles P-C4'-P energy: -50.917 tors. eta vs tors. theta energy: -107.109 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: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1291.778434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.778434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.778434 (E_RNA) where: Base-Base interactions energy: -914.104 where: short stacking energy: -365.541 Base-Backbone interact. energy: -0.361 local terms energy: -377.313752 where: bonds (distance) C4'-P energy: -79.280 bonds (distance) P-C4' energy: -64.753 flat angles C4'-P-C4' energy: -74.721 flat angles P-C4'-P energy: -50.877 tors. eta vs tors. theta energy: -107.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1207.806533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.806533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.806533 (E_RNA) where: Base-Base interactions energy: -865.688 where: short stacking energy: -339.640 Base-Backbone interact. energy: -1.501 local terms energy: -340.617914 where: bonds (distance) C4'-P energy: -66.000 bonds (distance) P-C4' energy: -58.849 flat angles C4'-P-C4' energy: -77.195 flat angles P-C4'-P energy: -44.089 tors. eta vs tors. theta energy: -94.485 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: 2 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1203.029556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.029556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.029556 (E_RNA) where: Base-Base interactions energy: -853.810 where: short stacking energy: -337.973 Base-Backbone interact. energy: -1.213 local terms energy: -348.006557 where: bonds (distance) C4'-P energy: -64.517 bonds (distance) P-C4' energy: -64.941 flat angles C4'-P-C4' energy: -72.168 flat angles P-C4'-P energy: -55.831 tors. eta vs tors. theta energy: -90.550 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: 9 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1019.393897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.393897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.393897 (E_RNA) where: Base-Base interactions energy: -716.163 where: short stacking energy: -283.666 Base-Backbone interact. energy: -2.179 local terms energy: -301.051703 where: bonds (distance) C4'-P energy: -66.314 bonds (distance) P-C4' energy: -58.641 flat angles C4'-P-C4' energy: -62.173 flat angles P-C4'-P energy: -46.622 tors. eta vs tors. theta energy: -67.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1064.806766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.806766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.806766 (E_RNA) where: Base-Base interactions energy: -767.668 where: short stacking energy: -307.896 Base-Backbone interact. energy: 0.513 local terms energy: -297.651676 where: bonds (distance) C4'-P energy: -46.433 bonds (distance) P-C4' energy: -59.183 flat angles C4'-P-C4' energy: -55.032 flat angles P-C4'-P energy: -48.884 tors. eta vs tors. theta energy: -88.119 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: 4 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -866.840111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.840111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.840111 (E_RNA) where: Base-Base interactions energy: -570.872 where: short stacking energy: -231.306 Base-Backbone interact. energy: 0.478 local terms energy: -296.446097 where: bonds (distance) C4'-P energy: -73.739 bonds (distance) P-C4' energy: -59.114 flat angles C4'-P-C4' energy: -66.025 flat angles P-C4'-P energy: -47.490 tors. eta vs tors. theta energy: -50.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1496.243464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.243464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.243464 (E_RNA) where: Base-Base interactions energy: -1095.000 where: short stacking energy: -425.309 Base-Backbone interact. energy: -1.484 local terms energy: -399.758986 where: bonds (distance) C4'-P energy: -64.927 bonds (distance) P-C4' energy: -82.037 flat angles C4'-P-C4' energy: -85.187 flat angles P-C4'-P energy: -57.738 tors. eta vs tors. theta energy: -109.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1418.190437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.190437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.190437 (E_RNA) where: Base-Base interactions energy: -1036.671 where: short stacking energy: -397.470 Base-Backbone interact. energy: -1.426 local terms energy: -380.093469 where: bonds (distance) C4'-P energy: -71.296 bonds (distance) P-C4' energy: -79.849 flat angles C4'-P-C4' energy: -73.936 flat angles P-C4'-P energy: -51.666 tors. eta vs tors. theta energy: -103.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1424.996981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.996981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.996981 (E_RNA) where: Base-Base interactions energy: -1031.427 where: short stacking energy: -400.467 Base-Backbone interact. energy: -1.593 local terms energy: -391.976697 where: bonds (distance) C4'-P energy: -68.889 bonds (distance) P-C4' energy: -71.628 flat angles C4'-P-C4' energy: -81.713 flat angles P-C4'-P energy: -52.493 tors. eta vs tors. theta energy: -117.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1383.887961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.887961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.887961 (E_RNA) where: Base-Base interactions energy: -992.202 where: short stacking energy: -392.125 Base-Backbone interact. energy: -1.595 local terms energy: -390.091554 where: bonds (distance) C4'-P energy: -72.139 bonds (distance) P-C4' energy: -71.846 flat angles C4'-P-C4' energy: -87.646 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -103.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1294.224979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.224979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.224979 (E_RNA) where: Base-Base interactions energy: -926.416 where: short stacking energy: -358.350 Base-Backbone interact. energy: 3.706 local terms energy: -371.514540 where: bonds (distance) C4'-P energy: -65.546 bonds (distance) P-C4' energy: -63.814 flat angles C4'-P-C4' energy: -87.781 flat angles P-C4'-P energy: -53.224 tors. eta vs tors. theta energy: -101.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1199.476224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.476224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.476224 (E_RNA) where: Base-Base interactions energy: -859.504 where: short stacking energy: -337.169 Base-Backbone interact. energy: -1.000 local terms energy: -338.972484 where: bonds (distance) C4'-P energy: -57.969 bonds (distance) P-C4' energy: -67.321 flat angles C4'-P-C4' energy: -73.875 flat angles P-C4'-P energy: -50.590 tors. eta vs tors. theta energy: -89.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1179.378410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.378410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.378410 (E_RNA) where: Base-Base interactions energy: -842.799 where: short stacking energy: -322.798 Base-Backbone interact. energy: -1.265 local terms energy: -335.314326 where: bonds (distance) C4'-P energy: -57.330 bonds (distance) P-C4' energy: -80.132 flat angles C4'-P-C4' energy: -58.408 flat angles P-C4'-P energy: -59.420 tors. eta vs tors. theta energy: -80.023 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: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1043.258357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.258357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.258357 (E_RNA) where: Base-Base interactions energy: -717.384 where: short stacking energy: -289.463 Base-Backbone interact. energy: -1.483 local terms energy: -324.391661 where: bonds (distance) C4'-P energy: -58.351 bonds (distance) P-C4' energy: -71.917 flat angles C4'-P-C4' energy: -76.594 flat angles P-C4'-P energy: -41.838 tors. eta vs tors. theta energy: -75.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1087.679838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.679838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.679838 (E_RNA) where: Base-Base interactions energy: -775.694 where: short stacking energy: -306.740 Base-Backbone interact. energy: -0.180 local terms energy: -311.805291 where: bonds (distance) C4'-P energy: -52.491 bonds (distance) P-C4' energy: -72.375 flat angles C4'-P-C4' energy: -59.466 flat angles P-C4'-P energy: -40.700 tors. eta vs tors. theta energy: -86.773 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: 10, replica: 4 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -888.558915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.558915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.558915 (E_RNA) where: Base-Base interactions energy: -607.010 where: short stacking energy: -268.847 Base-Backbone interact. energy: 0.577 local terms energy: -282.126684 where: bonds (distance) C4'-P energy: -60.875 bonds (distance) P-C4' energy: -74.911 flat angles C4'-P-C4' energy: -63.860 flat angles P-C4'-P energy: -23.369 tors. eta vs tors. theta energy: -59.112 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: 45 Temperature: 0.900000 Total energy: -1489.779574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.779574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.779574 (E_RNA) where: Base-Base interactions energy: -1090.182 where: short stacking energy: -414.209 Base-Backbone interact. energy: -0.838 local terms energy: -398.759886 where: bonds (distance) C4'-P energy: -69.464 bonds (distance) P-C4' energy: -74.152 flat angles C4'-P-C4' energy: -85.308 flat angles P-C4'-P energy: -62.116 tors. eta vs tors. theta energy: -107.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1426.518844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.518844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.518844 (E_RNA) where: Base-Base interactions energy: -1034.200 where: short stacking energy: -393.865 Base-Backbone interact. energy: -0.972 local terms energy: -391.346858 where: bonds (distance) C4'-P energy: -70.632 bonds (distance) P-C4' energy: -79.523 flat angles C4'-P-C4' energy: -87.869 flat angles P-C4'-P energy: -47.802 tors. eta vs tors. theta energy: -105.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1427.228255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.228255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.228255 (E_RNA) where: Base-Base interactions energy: -1042.885 where: short stacking energy: -396.164 Base-Backbone interact. energy: -1.352 local terms energy: -382.991141 where: bonds (distance) C4'-P energy: -66.586 bonds (distance) P-C4' energy: -68.640 flat angles C4'-P-C4' energy: -78.600 flat angles P-C4'-P energy: -51.358 tors. eta vs tors. theta energy: -117.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1315.562423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.562423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.562423 (E_RNA) where: Base-Base interactions energy: -945.767 where: short stacking energy: -375.434 Base-Backbone interact. energy: 0.480 local terms energy: -370.275430 where: bonds (distance) C4'-P energy: -67.551 bonds (distance) P-C4' energy: -64.509 flat angles C4'-P-C4' energy: -79.698 flat angles P-C4'-P energy: -59.950 tors. eta vs tors. theta energy: -98.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1332.392050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.392050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.392050 (E_RNA) where: Base-Base interactions energy: -975.621 where: short stacking energy: -385.598 Base-Backbone interact. energy: -0.988 local terms energy: -355.783490 where: bonds (distance) C4'-P energy: -63.662 bonds (distance) P-C4' energy: -55.869 flat angles C4'-P-C4' energy: -83.844 flat angles P-C4'-P energy: -48.029 tors. eta vs tors. theta energy: -104.381 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: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1228.685470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.685470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.685470 (E_RNA) where: Base-Base interactions energy: -890.035 where: short stacking energy: -336.187 Base-Backbone interact. energy: -2.163 local terms energy: -336.487145 where: bonds (distance) C4'-P energy: -53.761 bonds (distance) P-C4' energy: -60.865 flat angles C4'-P-C4' energy: -76.738 flat angles P-C4'-P energy: -53.239 tors. eta vs tors. theta energy: -91.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1164.375121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.375121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.375121 (E_RNA) where: Base-Base interactions energy: -808.707 where: short stacking energy: -307.266 Base-Backbone interact. energy: -2.761 local terms energy: -352.907278 where: bonds (distance) C4'-P energy: -70.996 bonds (distance) P-C4' energy: -64.176 flat angles C4'-P-C4' energy: -79.989 flat angles P-C4'-P energy: -59.403 tors. eta vs tors. theta energy: -78.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1032.822371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.822371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.822371 (E_RNA) where: Base-Base interactions energy: -713.844 where: short stacking energy: -305.166 Base-Backbone interact. energy: -0.725 local terms energy: -318.253324 where: bonds (distance) C4'-P energy: -62.754 bonds (distance) P-C4' energy: -52.594 flat angles C4'-P-C4' energy: -76.751 flat angles P-C4'-P energy: -44.865 tors. eta vs tors. theta energy: -81.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1052.122253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.122253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.122253 (E_RNA) where: Base-Base interactions energy: -726.861 where: short stacking energy: -303.663 Base-Backbone interact. energy: 0.077 local terms energy: -325.338368 where: bonds (distance) C4'-P energy: -68.752 bonds (distance) P-C4' energy: -53.314 flat angles C4'-P-C4' energy: -75.196 flat angles P-C4'-P energy: -49.135 tors. eta vs tors. theta energy: -78.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -856.377341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.377341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.377341 (E_RNA) where: Base-Base interactions energy: -601.585 where: short stacking energy: -255.777 Base-Backbone interact. energy: -0.372 local terms energy: -254.420448 where: bonds (distance) C4'-P energy: -65.627 bonds (distance) P-C4' energy: -48.754 flat angles C4'-P-C4' energy: -58.873 flat angles P-C4'-P energy: -25.869 tors. eta vs tors. theta energy: -55.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1504.649857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.649857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.649857 (E_RNA) where: Base-Base interactions energy: -1067.595 where: short stacking energy: -414.201 Base-Backbone interact. energy: -1.035 local terms energy: -436.020295 where: bonds (distance) C4'-P energy: -78.978 bonds (distance) P-C4' energy: -83.339 flat angles C4'-P-C4' energy: -92.834 flat angles P-C4'-P energy: -66.927 tors. eta vs tors. theta energy: -113.943 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: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1434.541778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.541778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.541778 (E_RNA) where: Base-Base interactions energy: -1035.364 where: short stacking energy: -404.611 Base-Backbone interact. energy: -0.941 local terms energy: -398.237182 where: bonds (distance) C4'-P energy: -73.718 bonds (distance) P-C4' energy: -80.407 flat angles C4'-P-C4' energy: -80.206 flat angles P-C4'-P energy: -56.974 tors. eta vs tors. theta energy: -106.933 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: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1434.615628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.615628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.615628 (E_RNA) where: Base-Base interactions energy: -1048.659 where: short stacking energy: -399.365 Base-Backbone interact. energy: 0.180 local terms energy: -386.137134 where: bonds (distance) C4'-P energy: -72.987 bonds (distance) P-C4' energy: -66.960 flat angles C4'-P-C4' energy: -73.467 flat angles P-C4'-P energy: -59.429 tors. eta vs tors. theta energy: -113.294 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: 4, replica: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1321.844168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.844168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.844168 (E_RNA) where: Base-Base interactions energy: -962.311 where: short stacking energy: -371.286 Base-Backbone interact. energy: 1.163 local terms energy: -360.696235 where: bonds (distance) C4'-P energy: -70.270 bonds (distance) P-C4' energy: -65.951 flat angles C4'-P-C4' energy: -72.412 flat angles P-C4'-P energy: -53.951 tors. eta vs tors. theta energy: -98.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1302.080662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.080662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.080662 (E_RNA) where: Base-Base interactions energy: -926.682 where: short stacking energy: -356.400 Base-Backbone interact. energy: -1.220 local terms energy: -374.179104 where: bonds (distance) C4'-P energy: -58.531 bonds (distance) P-C4' energy: -75.898 flat angles C4'-P-C4' energy: -86.595 flat angles P-C4'-P energy: -52.493 tors. eta vs tors. theta energy: -100.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1232.904351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.904351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.904351 (E_RNA) where: Base-Base interactions energy: -884.358 where: short stacking energy: -350.179 Base-Backbone interact. energy: 3.876 local terms energy: -352.422001 where: bonds (distance) C4'-P energy: -58.510 bonds (distance) P-C4' energy: -68.041 flat angles C4'-P-C4' energy: -78.587 flat angles P-C4'-P energy: -47.457 tors. eta vs tors. theta energy: -99.827 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: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1164.795937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.795937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.795937 (E_RNA) where: Base-Base interactions energy: -815.216 where: short stacking energy: -319.891 Base-Backbone interact. energy: 6.494 local terms energy: -356.073808 where: bonds (distance) C4'-P energy: -65.339 bonds (distance) P-C4' energy: -70.147 flat angles C4'-P-C4' energy: -87.218 flat angles P-C4'-P energy: -44.629 tors. eta vs tors. theta energy: -88.742 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: 3 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -980.472303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.472303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.472303 (E_RNA) where: Base-Base interactions energy: -673.425 where: short stacking energy: -271.514 Base-Backbone interact. energy: 1.157 local terms energy: -308.203957 where: bonds (distance) C4'-P energy: -57.408 bonds (distance) P-C4' energy: -59.020 flat angles C4'-P-C4' energy: -64.074 flat angles P-C4'-P energy: -58.436 tors. eta vs tors. theta energy: -69.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1051.920766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.920766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.920766 (E_RNA) where: Base-Base interactions energy: -747.859 where: short stacking energy: -290.748 Base-Backbone interact. energy: 1.337 local terms energy: -305.398413 where: bonds (distance) C4'-P energy: -59.689 bonds (distance) P-C4' energy: -61.664 flat angles C4'-P-C4' energy: -69.570 flat angles P-C4'-P energy: -39.845 tors. eta vs tors. theta energy: -74.630 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: 4 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -856.017084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.017084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.017084 (E_RNA) where: Base-Base interactions energy: -564.854 where: short stacking energy: -241.077 Base-Backbone interact. energy: 0.448 local terms energy: -291.611636 where: bonds (distance) C4'-P energy: -64.721 bonds (distance) P-C4' energy: -57.761 flat angles C4'-P-C4' energy: -70.975 flat angles P-C4'-P energy: -46.763 tors. eta vs tors. theta energy: -51.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1503.139435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.139435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.139435 (E_RNA) where: Base-Base interactions energy: -1093.589 where: short stacking energy: -418.955 Base-Backbone interact. energy: -1.918 local terms energy: -407.632133 where: bonds (distance) C4'-P energy: -72.702 bonds (distance) P-C4' energy: -81.638 flat angles C4'-P-C4' energy: -87.670 flat angles P-C4'-P energy: -52.598 tors. eta vs tors. theta energy: -113.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1472.265899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.265899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.265899 (E_RNA) where: Base-Base interactions energy: -1053.210 where: short stacking energy: -404.711 Base-Backbone interact. energy: -1.622 local terms energy: -417.433703 where: bonds (distance) C4'-P energy: -72.343 bonds (distance) P-C4' energy: -78.178 flat angles C4'-P-C4' energy: -86.128 flat angles P-C4'-P energy: -68.492 tors. eta vs tors. theta energy: -112.292 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: 8 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1387.632177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.632177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.632177 (E_RNA) where: Base-Base interactions energy: -989.960 where: short stacking energy: -390.478 Base-Backbone interact. energy: -1.287 local terms energy: -396.384382 where: bonds (distance) C4'-P energy: -66.526 bonds (distance) P-C4' energy: -76.085 flat angles C4'-P-C4' energy: -87.025 flat angles P-C4'-P energy: -54.530 tors. eta vs tors. theta energy: -112.217 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: 4, replica: 1 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1341.983818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.983818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.983818 (E_RNA) where: Base-Base interactions energy: -967.337 where: short stacking energy: -397.413 Base-Backbone interact. energy: -0.643 local terms energy: -374.003588 where: bonds (distance) C4'-P energy: -60.945 bonds (distance) P-C4' energy: -64.274 flat angles C4'-P-C4' energy: -75.090 flat angles P-C4'-P energy: -59.889 tors. eta vs tors. theta energy: -113.805 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: 7 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1315.544766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.544766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.544766 (E_RNA) where: Base-Base interactions energy: -953.667 where: short stacking energy: -372.570 Base-Backbone interact. energy: -0.883 local terms energy: -360.994462 where: bonds (distance) C4'-P energy: -64.087 bonds (distance) P-C4' energy: -73.002 flat angles C4'-P-C4' energy: -74.428 flat angles P-C4'-P energy: -48.769 tors. eta vs tors. theta energy: -100.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1226.762263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.762263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.762263 (E_RNA) where: Base-Base interactions energy: -872.231 where: short stacking energy: -350.190 Base-Backbone interact. energy: 1.299 local terms energy: -355.830661 where: bonds (distance) C4'-P energy: -73.291 bonds (distance) P-C4' energy: -67.367 flat angles C4'-P-C4' energy: -77.323 flat angles P-C4'-P energy: -42.764 tors. eta vs tors. theta energy: -95.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1164.198681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.198681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.198681 (E_RNA) where: Base-Base interactions energy: -818.711 where: short stacking energy: -319.587 Base-Backbone interact. energy: -4.117 local terms energy: -341.370335 where: bonds (distance) C4'-P energy: -62.683 bonds (distance) P-C4' energy: -60.494 flat angles C4'-P-C4' energy: -81.437 flat angles P-C4'-P energy: -44.781 tors. eta vs tors. theta energy: -91.976 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: 9 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1067.923477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.923477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.923477 (E_RNA) where: Base-Base interactions energy: -764.734 where: short stacking energy: -308.426 Base-Backbone interact. energy: -0.771 local terms energy: -302.419192 where: bonds (distance) C4'-P energy: -57.333 bonds (distance) P-C4' energy: -57.635 flat angles C4'-P-C4' energy: -75.434 flat angles P-C4'-P energy: -42.273 tors. eta vs tors. theta energy: -69.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1049.599750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.599750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.599750 (E_RNA) where: Base-Base interactions energy: -726.412 where: short stacking energy: -289.478 Base-Backbone interact. energy: -0.876 local terms energy: -322.311996 where: bonds (distance) C4'-P energy: -56.415 bonds (distance) P-C4' energy: -59.525 flat angles C4'-P-C4' energy: -80.093 flat angles P-C4'-P energy: -42.471 tors. eta vs tors. theta energy: -83.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -897.927927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.927927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.927927 (E_RNA) where: Base-Base interactions energy: -614.127 where: short stacking energy: -254.013 Base-Backbone interact. energy: 1.512 local terms energy: -285.313482 where: bonds (distance) C4'-P energy: -72.525 bonds (distance) P-C4' energy: -56.899 flat angles C4'-P-C4' energy: -58.177 flat angles P-C4'-P energy: -34.023 tors. eta vs tors. theta energy: -63.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1514.676686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.676686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.676686 (E_RNA) where: Base-Base interactions energy: -1092.509 where: short stacking energy: -414.465 Base-Backbone interact. energy: -1.006 local terms energy: -421.162181 where: bonds (distance) C4'-P energy: -70.295 bonds (distance) P-C4' energy: -86.869 flat angles C4'-P-C4' energy: -83.534 flat angles P-C4'-P energy: -65.469 tors. eta vs tors. theta energy: -114.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1465.100376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.100376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.100376 (E_RNA) where: Base-Base interactions energy: -1058.766 where: short stacking energy: -409.230 Base-Backbone interact. energy: -1.165 local terms energy: -405.168450 where: bonds (distance) C4'-P energy: -79.302 bonds (distance) P-C4' energy: -65.698 flat angles C4'-P-C4' energy: -91.250 flat angles P-C4'-P energy: -56.801 tors. eta vs tors. theta energy: -112.118 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: 8 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1413.571393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.571393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.571393 (E_RNA) where: Base-Base interactions energy: -1000.463 where: short stacking energy: -400.220 Base-Backbone interact. energy: -2.065 local terms energy: -411.043444 where: bonds (distance) C4'-P energy: -69.248 bonds (distance) P-C4' energy: -81.495 flat angles C4'-P-C4' energy: -87.791 flat angles P-C4'-P energy: -51.036 tors. eta vs tors. theta energy: -121.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1326.267167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.267167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.267167 (E_RNA) where: Base-Base interactions energy: -939.745 where: short stacking energy: -380.051 Base-Backbone interact. energy: -0.092 local terms energy: -386.430255 where: bonds (distance) C4'-P energy: -63.379 bonds (distance) P-C4' energy: -65.580 flat angles C4'-P-C4' energy: -89.290 flat angles P-C4'-P energy: -60.697 tors. eta vs tors. theta energy: -107.485 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: 5, replica: 7 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1289.722878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.722878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.722878 (E_RNA) where: Base-Base interactions energy: -941.526 where: short stacking energy: -370.123 Base-Backbone interact. energy: 2.320 local terms energy: -350.516250 where: bonds (distance) C4'-P energy: -67.256 bonds (distance) P-C4' energy: -62.423 flat angles C4'-P-C4' energy: -76.339 flat angles P-C4'-P energy: -47.752 tors. eta vs tors. theta energy: -96.747 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: 48 Temperature: 1.150000 Total energy: -1267.799458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.799458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.799458 (E_RNA) where: Base-Base interactions energy: -913.382 where: short stacking energy: -340.064 Base-Backbone interact. energy: 3.833 local terms energy: -358.250260 where: bonds (distance) C4'-P energy: -67.778 bonds (distance) P-C4' energy: -64.963 flat angles C4'-P-C4' energy: -74.528 flat angles P-C4'-P energy: -48.381 tors. eta vs tors. theta energy: -102.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1165.318577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.318577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.318577 (E_RNA) where: Base-Base interactions energy: -824.618 where: short stacking energy: -316.003 Base-Backbone interact. energy: -2.468 local terms energy: -338.233177 where: bonds (distance) C4'-P energy: -66.527 bonds (distance) P-C4' energy: -69.902 flat angles C4'-P-C4' energy: -64.727 flat angles P-C4'-P energy: -57.581 tors. eta vs tors. theta energy: -79.496 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: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1074.255941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.255941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.255941 (E_RNA) where: Base-Base interactions energy: -727.727 where: short stacking energy: -302.201 Base-Backbone interact. energy: -1.040 local terms energy: -345.488953 where: bonds (distance) C4'-P energy: -69.643 bonds (distance) P-C4' energy: -62.992 flat angles C4'-P-C4' energy: -77.353 flat angles P-C4'-P energy: -50.300 tors. eta vs tors. theta energy: -85.202 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: 3 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1023.636427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.636427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.636427 (E_RNA) where: Base-Base interactions energy: -713.198 where: short stacking energy: -278.907 Base-Backbone interact. energy: -0.665 local terms energy: -309.773000 where: bonds (distance) C4'-P energy: -66.130 bonds (distance) P-C4' energy: -54.895 flat angles C4'-P-C4' energy: -68.842 flat angles P-C4'-P energy: -41.579 tors. eta vs tors. theta energy: -78.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -923.024676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.024676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.024676 (E_RNA) where: Base-Base interactions energy: -635.127 where: short stacking energy: -257.465 Base-Backbone interact. energy: -0.420 local terms energy: -287.477024 where: bonds (distance) C4'-P energy: -52.853 bonds (distance) P-C4' energy: -62.774 flat angles C4'-P-C4' energy: -64.956 flat angles P-C4'-P energy: -42.038 tors. eta vs tors. theta energy: -64.856 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: 1, replica: 6 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1496.940219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.940219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.940219 (E_RNA) where: Base-Base interactions energy: -1091.468 where: short stacking energy: -406.557 Base-Backbone interact. energy: -1.641 local terms energy: -403.831194 where: bonds (distance) C4'-P energy: -63.325 bonds (distance) P-C4' energy: -82.221 flat angles C4'-P-C4' energy: -82.763 flat angles P-C4'-P energy: -58.851 tors. eta vs tors. theta energy: -116.672 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: 5 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1471.562276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.562276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.562276 (E_RNA) where: Base-Base interactions energy: -1072.101 where: short stacking energy: -414.382 Base-Backbone interact. energy: -0.676 local terms energy: -398.785583 where: bonds (distance) C4'-P energy: -71.268 bonds (distance) P-C4' energy: -69.915 flat angles C4'-P-C4' energy: -87.438 flat angles P-C4'-P energy: -53.089 tors. eta vs tors. theta energy: -117.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1415.428197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.428197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.428197 (E_RNA) where: Base-Base interactions energy: -1023.194 where: short stacking energy: -411.305 Base-Backbone interact. energy: -0.407 local terms energy: -391.827738 where: bonds (distance) C4'-P energy: -63.181 bonds (distance) P-C4' energy: -77.484 flat angles C4'-P-C4' energy: -80.999 flat angles P-C4'-P energy: -56.299 tors. eta vs tors. theta energy: -113.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1348.508051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.508051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.508051 (E_RNA) where: Base-Base interactions energy: -973.102 where: short stacking energy: -382.437 Base-Backbone interact. energy: -3.214 local terms energy: -372.192178 where: bonds (distance) C4'-P energy: -71.035 bonds (distance) P-C4' energy: -67.590 flat angles C4'-P-C4' energy: -71.509 flat angles P-C4'-P energy: -56.772 tors. eta vs tors. theta energy: -105.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1310.618571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.618571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.618571 (E_RNA) where: Base-Base interactions energy: -942.075 where: short stacking energy: -358.695 Base-Backbone interact. energy: -1.672 local terms energy: -366.870938 where: bonds (distance) C4'-P energy: -59.134 bonds (distance) P-C4' energy: -78.967 flat angles C4'-P-C4' energy: -76.273 flat angles P-C4'-P energy: -58.534 tors. eta vs tors. theta energy: -93.963 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: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1270.781058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.781058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.781058 (E_RNA) where: Base-Base interactions energy: -921.012 where: short stacking energy: -357.360 Base-Backbone interact. energy: 1.145 local terms energy: -350.914109 where: bonds (distance) C4'-P energy: -68.633 bonds (distance) P-C4' energy: -63.535 flat angles C4'-P-C4' energy: -75.833 flat angles P-C4'-P energy: -48.590 tors. eta vs tors. theta energy: -94.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1171.403264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.403264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.403264 (E_RNA) where: Base-Base interactions energy: -849.994 where: short stacking energy: -338.783 Base-Backbone interact. energy: 0.285 local terms energy: -321.693870 where: bonds (distance) C4'-P energy: -53.576 bonds (distance) P-C4' energy: -62.363 flat angles C4'-P-C4' energy: -74.245 flat angles P-C4'-P energy: -41.137 tors. eta vs tors. theta energy: -90.373 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: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1097.362123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.362123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.362123 (E_RNA) where: Base-Base interactions energy: -773.266 where: short stacking energy: -340.998 Base-Backbone interact. energy: 0.613 local terms energy: -324.708658 where: bonds (distance) C4'-P energy: -59.570 bonds (distance) P-C4' energy: -52.013 flat angles C4'-P-C4' energy: -77.168 flat angles P-C4'-P energy: -46.122 tors. eta vs tors. theta energy: -89.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1004.786069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.786069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.786069 (E_RNA) where: Base-Base interactions energy: -682.237 where: short stacking energy: -289.891 Base-Backbone interact. energy: 2.393 local terms energy: -324.942515 where: bonds (distance) C4'-P energy: -54.145 bonds (distance) P-C4' energy: -71.282 flat angles C4'-P-C4' energy: -68.253 flat angles P-C4'-P energy: -51.336 tors. eta vs tors. theta energy: -79.927 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: 4 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -926.306398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.306398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.306398 (E_RNA) where: Base-Base interactions energy: -625.548 where: short stacking energy: -256.446 Base-Backbone interact. energy: 0.253 local terms energy: -301.010842 where: bonds (distance) C4'-P energy: -62.593 bonds (distance) P-C4' energy: -61.114 flat angles C4'-P-C4' energy: -71.054 flat angles P-C4'-P energy: -44.644 tors. eta vs tors. theta energy: -61.605 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: 50 Temperature: 0.900000 Total energy: -1484.915153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.915153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.915153 (E_RNA) where: Base-Base interactions energy: -1069.225 where: short stacking energy: -418.221 Base-Backbone interact. energy: -0.585 local terms energy: -415.105116 where: bonds (distance) C4'-P energy: -69.573 bonds (distance) P-C4' energy: -83.464 flat angles C4'-P-C4' energy: -86.588 flat angles P-C4'-P energy: -55.771 tors. eta vs tors. theta energy: -119.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1501.233130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.233130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.233130 (E_RNA) where: Base-Base interactions energy: -1097.996 where: short stacking energy: -411.347 Base-Backbone interact. energy: 2.926 local terms energy: -406.162952 where: bonds (distance) C4'-P energy: -70.494 bonds (distance) P-C4' energy: -72.240 flat angles C4'-P-C4' energy: -90.561 flat angles P-C4'-P energy: -55.880 tors. eta vs tors. theta energy: -116.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1405.975054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.975054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.975054 (E_RNA) where: Base-Base interactions energy: -1017.245 where: short stacking energy: -385.295 Base-Backbone interact. energy: 0.154 local terms energy: -388.884092 where: bonds (distance) C4'-P energy: -69.065 bonds (distance) P-C4' energy: -80.540 flat angles C4'-P-C4' energy: -81.130 flat angles P-C4'-P energy: -53.442 tors. eta vs tors. theta energy: -104.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1353.073850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.073850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.073850 (E_RNA) where: Base-Base interactions energy: -978.031 where: short stacking energy: -387.284 Base-Backbone interact. energy: -1.551 local terms energy: -373.491916 where: bonds (distance) C4'-P energy: -63.686 bonds (distance) P-C4' energy: -62.527 flat angles C4'-P-C4' energy: -76.741 flat angles P-C4'-P energy: -55.413 tors. eta vs tors. theta energy: -115.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1305.555161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.555161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.555161 (E_RNA) where: Base-Base interactions energy: -921.927 where: short stacking energy: -358.831 Base-Backbone interact. energy: 0.173 local terms energy: -383.800803 where: bonds (distance) C4'-P energy: -66.625 bonds (distance) P-C4' energy: -69.483 flat angles C4'-P-C4' energy: -88.689 flat angles P-C4'-P energy: -54.202 tors. eta vs tors. theta energy: -104.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1273.383053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.383053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.383053 (E_RNA) where: Base-Base interactions energy: -932.053 where: short stacking energy: -357.216 Base-Backbone interact. energy: -0.892 local terms energy: -340.437736 where: bonds (distance) C4'-P energy: -55.673 bonds (distance) P-C4' energy: -70.699 flat angles C4'-P-C4' energy: -76.561 flat angles P-C4'-P energy: -40.311 tors. eta vs tors. theta energy: -97.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1131.589304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.589304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.589304 (E_RNA) where: Base-Base interactions energy: -798.447 where: short stacking energy: -328.695 Base-Backbone interact. energy: -0.491 local terms energy: -332.651521 where: bonds (distance) C4'-P energy: -62.466 bonds (distance) P-C4' energy: -57.432 flat angles C4'-P-C4' energy: -74.454 flat angles P-C4'-P energy: -50.621 tors. eta vs tors. theta energy: -87.678 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: 10 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1117.817347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.817347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.817347 (E_RNA) where: Base-Base interactions energy: -781.156 where: short stacking energy: -307.741 Base-Backbone interact. energy: -1.707 local terms energy: -334.954304 where: bonds (distance) C4'-P energy: -59.420 bonds (distance) P-C4' energy: -62.727 flat angles C4'-P-C4' energy: -76.716 flat angles P-C4'-P energy: -53.598 tors. eta vs tors. theta energy: -82.493 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: 3 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1063.329388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.329388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.329388 (E_RNA) where: Base-Base interactions energy: -757.982 where: short stacking energy: -302.480 Base-Backbone interact. energy: 1.260 local terms energy: -306.607372 where: bonds (distance) C4'-P energy: -57.628 bonds (distance) P-C4' energy: -62.768 flat angles C4'-P-C4' energy: -77.721 flat angles P-C4'-P energy: -34.410 tors. eta vs tors. theta energy: -74.080 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: 4 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -926.207652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.207652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.207652 (E_RNA) where: Base-Base interactions energy: -629.768 where: short stacking energy: -266.907 Base-Backbone interact. energy: 2.464 local terms energy: -298.903700 where: bonds (distance) C4'-P energy: -59.003 bonds (distance) P-C4' energy: -58.213 flat angles C4'-P-C4' energy: -77.065 flat angles P-C4'-P energy: -40.748 tors. eta vs tors. theta energy: -63.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1472.015359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.015359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.015359 (E_RNA) where: Base-Base interactions energy: -1062.906 where: short stacking energy: -417.424 Base-Backbone interact. energy: -1.280 local terms energy: -407.829630 where: bonds (distance) C4'-P energy: -77.414 bonds (distance) P-C4' energy: -69.741 flat angles C4'-P-C4' energy: -86.470 flat angles P-C4'-P energy: -58.407 tors. eta vs tors. theta energy: -115.797 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: 2, replica: 6 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1514.753919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.753919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.753919 (E_RNA) where: Base-Base interactions energy: -1092.055 where: short stacking energy: -418.834 Base-Backbone interact. energy: -3.092 local terms energy: -419.606360 where: bonds (distance) C4'-P energy: -77.177 bonds (distance) P-C4' energy: -73.746 flat angles C4'-P-C4' energy: -93.348 flat angles P-C4'-P energy: -59.496 tors. eta vs tors. theta energy: -115.839 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: 8 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1396.138764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.138764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.138764 (E_RNA) where: Base-Base interactions energy: -995.611 where: short stacking energy: -399.165 Base-Backbone interact. energy: 2.071 local terms energy: -402.598398 where: bonds (distance) C4'-P energy: -75.918 bonds (distance) P-C4' energy: -84.146 flat angles C4'-P-C4' energy: -80.372 flat angles P-C4'-P energy: -56.064 tors. eta vs tors. theta energy: -106.099 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: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1353.000274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.000274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.000274 (E_RNA) where: Base-Base interactions energy: -958.628 where: short stacking energy: -370.618 Base-Backbone interact. energy: -1.114 local terms energy: -393.258297 where: bonds (distance) C4'-P energy: -80.809 bonds (distance) P-C4' energy: -74.587 flat angles C4'-P-C4' energy: -82.514 flat angles P-C4'-P energy: -54.607 tors. eta vs tors. theta energy: -100.741 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: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1332.306423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.306423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.306423 (E_RNA) where: Base-Base interactions energy: -944.995 where: short stacking energy: -384.814 Base-Backbone interact. energy: -0.703 local terms energy: -386.608956 where: bonds (distance) C4'-P energy: -66.419 bonds (distance) P-C4' energy: -66.117 flat angles C4'-P-C4' energy: -89.270 flat angles P-C4'-P energy: -50.392 tors. eta vs tors. theta energy: -114.411 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: 6, replica: 7 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1282.710087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.710087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.710087 (E_RNA) where: Base-Base interactions energy: -921.165 where: short stacking energy: -366.867 Base-Backbone interact. energy: -0.771 local terms energy: -360.773252 where: bonds (distance) C4'-P energy: -74.011 bonds (distance) P-C4' energy: -60.833 flat angles C4'-P-C4' energy: -65.105 flat angles P-C4'-P energy: -49.579 tors. eta vs tors. theta energy: -111.245 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: 9 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1155.528486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.528486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.528486 (E_RNA) where: Base-Base interactions energy: -805.375 where: short stacking energy: -321.629 Base-Backbone interact. energy: 1.216 local terms energy: -351.369538 where: bonds (distance) C4'-P energy: -60.064 bonds (distance) P-C4' energy: -74.274 flat angles C4'-P-C4' energy: -73.438 flat angles P-C4'-P energy: -54.412 tors. eta vs tors. theta energy: -89.182 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: 10 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1150.460498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.460498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.460498 (E_RNA) where: Base-Base interactions energy: -812.248 where: short stacking energy: -311.927 Base-Backbone interact. energy: 1.958 local terms energy: -340.170497 where: bonds (distance) C4'-P energy: -69.419 bonds (distance) P-C4' energy: -54.535 flat angles C4'-P-C4' energy: -83.399 flat angles P-C4'-P energy: -48.342 tors. eta vs tors. theta energy: -84.477 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: 3 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1102.636643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.636643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.636643 (E_RNA) where: Base-Base interactions energy: -789.765 where: short stacking energy: -318.715 Base-Backbone interact. energy: 1.070 local terms energy: -313.941902 where: bonds (distance) C4'-P energy: -58.259 bonds (distance) P-C4' energy: -63.155 flat angles C4'-P-C4' energy: -69.857 flat angles P-C4'-P energy: -44.543 tors. eta vs tors. theta energy: -78.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -887.941265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.941265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.941265 (E_RNA) where: Base-Base interactions energy: -599.619 where: short stacking energy: -255.001 Base-Backbone interact. energy: 0.285 local terms energy: -288.607028 where: bonds (distance) C4'-P energy: -58.238 bonds (distance) P-C4' energy: -66.571 flat angles C4'-P-C4' energy: -60.871 flat angles P-C4'-P energy: -44.052 tors. eta vs tors. theta energy: -58.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1499.097846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.097846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.097846 (E_RNA) where: Base-Base interactions energy: -1094.487 where: short stacking energy: -434.985 Base-Backbone interact. energy: -2.006 local terms energy: -402.605320 where: bonds (distance) C4'-P energy: -77.129 bonds (distance) P-C4' energy: -56.078 flat angles C4'-P-C4' energy: -88.597 flat angles P-C4'-P energy: -60.823 tors. eta vs tors. theta energy: -119.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1490.291487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.291487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.291487 (E_RNA) where: Base-Base interactions energy: -1100.345 where: short stacking energy: -418.599 Base-Backbone interact. energy: 1.564 local terms energy: -391.510413 where: bonds (distance) C4'-P energy: -66.794 bonds (distance) P-C4' energy: -70.795 flat angles C4'-P-C4' energy: -86.205 flat angles P-C4'-P energy: -63.895 tors. eta vs tors. theta energy: -103.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1400.013078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.013078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.013078 (E_RNA) where: Base-Base interactions energy: -1016.579 where: short stacking energy: -390.167 Base-Backbone interact. energy: 0.524 local terms energy: -383.958435 where: bonds (distance) C4'-P energy: -74.912 bonds (distance) P-C4' energy: -69.932 flat angles C4'-P-C4' energy: -77.334 flat angles P-C4'-P energy: -54.988 tors. eta vs tors. theta energy: -106.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1336.076357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.076357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.076357 (E_RNA) where: Base-Base interactions energy: -951.487 where: short stacking energy: -366.613 Base-Backbone interact. energy: -0.957 local terms energy: -383.631980 where: bonds (distance) C4'-P energy: -68.483 bonds (distance) P-C4' energy: -73.732 flat angles C4'-P-C4' energy: -86.629 flat angles P-C4'-P energy: -57.350 tors. eta vs tors. theta energy: -97.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1361.355957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.355957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.355957 (E_RNA) where: Base-Base interactions energy: -985.122 where: short stacking energy: -375.273 Base-Backbone interact. energy: 9.626 local terms energy: -385.859613 where: bonds (distance) C4'-P energy: -73.914 bonds (distance) P-C4' energy: -67.977 flat angles C4'-P-C4' energy: -78.205 flat angles P-C4'-P energy: -51.717 tors. eta vs tors. theta energy: -114.045 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: 6, replica: 7 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1348.438311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.438311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.438311 (E_RNA) where: Base-Base interactions energy: -970.560 where: short stacking energy: -377.779 Base-Backbone interact. energy: 2.797 local terms energy: -380.674607 where: bonds (distance) C4'-P energy: -58.965 bonds (distance) P-C4' energy: -81.524 flat angles C4'-P-C4' energy: -84.336 flat angles P-C4'-P energy: -47.303 tors. eta vs tors. theta energy: -108.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1186.223351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.223351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.223351 (E_RNA) where: Base-Base interactions energy: -834.095 where: short stacking energy: -342.737 Base-Backbone interact. energy: -2.163 local terms energy: -349.965101 where: bonds (distance) C4'-P energy: -60.677 bonds (distance) P-C4' energy: -68.460 flat angles C4'-P-C4' energy: -81.463 flat angles P-C4'-P energy: -48.083 tors. eta vs tors. theta energy: -91.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1108.553913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.553913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.553913 (E_RNA) where: Base-Base interactions energy: -773.115 where: short stacking energy: -305.917 Base-Backbone interact. energy: -0.893 local terms energy: -334.546126 where: bonds (distance) C4'-P energy: -54.552 bonds (distance) P-C4' energy: -66.943 flat angles C4'-P-C4' energy: -72.375 flat angles P-C4'-P energy: -54.292 tors. eta vs tors. theta energy: -86.384 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: 9, replica: 3 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1081.996427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.996427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.996427 (E_RNA) where: Base-Base interactions energy: -763.001 where: short stacking energy: -298.463 Base-Backbone interact. energy: 0.605 local terms energy: -319.600824 where: bonds (distance) C4'-P energy: -50.074 bonds (distance) P-C4' energy: -69.662 flat angles C4'-P-C4' energy: -74.372 flat angles P-C4'-P energy: -45.306 tors. eta vs tors. theta energy: -80.187 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: 4 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -889.530027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.530027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.530027 (E_RNA) where: Base-Base interactions energy: -648.752 where: short stacking energy: -253.368 Base-Backbone interact. energy: 2.326 local terms energy: -243.104137 where: bonds (distance) C4'-P energy: -50.861 bonds (distance) P-C4' energy: -48.411 flat angles C4'-P-C4' energy: -46.097 flat angles P-C4'-P energy: -38.531 tors. eta vs tors. theta energy: -59.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1493.740099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.740099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.740099 (E_RNA) where: Base-Base interactions energy: -1064.190 where: short stacking energy: -407.989 Base-Backbone interact. energy: -0.731 local terms energy: -428.819227 where: bonds (distance) C4'-P energy: -79.117 bonds (distance) P-C4' energy: -81.687 flat angles C4'-P-C4' energy: -86.958 flat angles P-C4'-P energy: -65.223 tors. eta vs tors. theta energy: -115.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1470.060165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.060165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.060165 (E_RNA) where: Base-Base interactions energy: -1081.052 where: short stacking energy: -413.419 Base-Backbone interact. energy: 0.218 local terms energy: -389.226078 where: bonds (distance) C4'-P energy: -67.575 bonds (distance) P-C4' energy: -78.791 flat angles C4'-P-C4' energy: -80.288 flat angles P-C4'-P energy: -54.975 tors. eta vs tors. theta energy: -107.598 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: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1416.995889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.995889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.995889 (E_RNA) where: Base-Base interactions energy: -1036.378 where: short stacking energy: -396.397 Base-Backbone interact. energy: -0.835 local terms energy: -379.782431 where: bonds (distance) C4'-P energy: -60.163 bonds (distance) P-C4' energy: -74.287 flat angles C4'-P-C4' energy: -86.253 flat angles P-C4'-P energy: -55.480 tors. eta vs tors. theta energy: -103.599 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: 53 Temperature: 1.050000 Total energy: -1376.110985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.110985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.110985 (E_RNA) where: Base-Base interactions energy: -1000.540 where: short stacking energy: -403.309 Base-Backbone interact. energy: 7.449 local terms energy: -383.019979 where: bonds (distance) C4'-P energy: -66.064 bonds (distance) P-C4' energy: -76.989 flat angles C4'-P-C4' energy: -80.890 flat angles P-C4'-P energy: -55.712 tors. eta vs tors. theta energy: -103.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1318.387527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.387527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.387527 (E_RNA) where: Base-Base interactions energy: -952.281 where: short stacking energy: -377.645 Base-Backbone interact. energy: 6.969 local terms energy: -373.075439 where: bonds (distance) C4'-P energy: -61.124 bonds (distance) P-C4' energy: -65.408 flat angles C4'-P-C4' energy: -86.206 flat angles P-C4'-P energy: -54.093 tors. eta vs tors. theta energy: -106.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1330.669949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.669949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.669949 (E_RNA) where: Base-Base interactions energy: -959.131 where: short stacking energy: -361.196 Base-Backbone interact. energy: 0.046 local terms energy: -371.585431 where: bonds (distance) C4'-P energy: -60.351 bonds (distance) P-C4' energy: -69.066 flat angles C4'-P-C4' energy: -86.445 flat angles P-C4'-P energy: -54.652 tors. eta vs tors. theta energy: -101.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1160.762074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.762074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.762074 (E_RNA) where: Base-Base interactions energy: -816.856 where: short stacking energy: -324.659 Base-Backbone interact. energy: -0.998 local terms energy: -342.908326 where: bonds (distance) C4'-P energy: -59.646 bonds (distance) P-C4' energy: -69.290 flat angles C4'-P-C4' energy: -68.665 flat angles P-C4'-P energy: -54.584 tors. eta vs tors. theta energy: -90.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1156.356558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.356558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.356558 (E_RNA) where: Base-Base interactions energy: -822.073 where: short stacking energy: -335.287 Base-Backbone interact. energy: -0.239 local terms energy: -334.044659 where: bonds (distance) C4'-P energy: -60.389 bonds (distance) P-C4' energy: -71.160 flat angles C4'-P-C4' energy: -70.065 flat angles P-C4'-P energy: -44.914 tors. eta vs tors. theta energy: -87.517 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: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1042.882162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.882162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.882162 (E_RNA) where: Base-Base interactions energy: -723.234 where: short stacking energy: -310.258 Base-Backbone interact. energy: -0.861 local terms energy: -318.787551 where: bonds (distance) C4'-P energy: -60.951 bonds (distance) P-C4' energy: -64.367 flat angles C4'-P-C4' energy: -68.326 flat angles P-C4'-P energy: -49.896 tors. eta vs tors. theta energy: -75.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -957.991333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.991333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.991333 (E_RNA) where: Base-Base interactions energy: -672.787 where: short stacking energy: -252.803 Base-Backbone interact. energy: 0.514 local terms energy: -285.718664 where: bonds (distance) C4'-P energy: -59.247 bonds (distance) P-C4' energy: -59.698 flat angles C4'-P-C4' energy: -58.225 flat angles P-C4'-P energy: -47.208 tors. eta vs tors. theta energy: -61.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1518.163517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.163517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.163517 (E_RNA) where: Base-Base interactions energy: -1105.405 where: short stacking energy: -438.062 Base-Backbone interact. energy: -1.881 local terms energy: -410.877134 where: bonds (distance) C4'-P energy: -64.501 bonds (distance) P-C4' energy: -64.668 flat angles C4'-P-C4' energy: -89.064 flat angles P-C4'-P energy: -69.580 tors. eta vs tors. theta energy: -123.064 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: 6 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1485.108425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.108425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.108425 (E_RNA) where: Base-Base interactions energy: -1094.981 where: short stacking energy: -417.919 Base-Backbone interact. energy: 1.072 local terms energy: -391.199603 where: bonds (distance) C4'-P energy: -62.947 bonds (distance) P-C4' energy: -63.187 flat angles C4'-P-C4' energy: -86.776 flat angles P-C4'-P energy: -65.314 tors. eta vs tors. theta energy: -112.976 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: 54 Temperature: 1.000000 Total energy: -1430.930295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.930295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.930295 (E_RNA) where: Base-Base interactions energy: -1035.919 where: short stacking energy: -400.798 Base-Backbone interact. energy: -2.165 local terms energy: -392.846437 where: bonds (distance) C4'-P energy: -78.596 bonds (distance) P-C4' energy: -73.808 flat angles C4'-P-C4' energy: -76.867 flat angles P-C4'-P energy: -54.363 tors. eta vs tors. theta energy: -109.213 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: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1381.797269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.797269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.797269 (E_RNA) where: Base-Base interactions energy: -988.785 where: short stacking energy: -380.825 Base-Backbone interact. energy: 1.195 local terms energy: -394.206572 where: bonds (distance) C4'-P energy: -78.974 bonds (distance) P-C4' energy: -70.845 flat angles C4'-P-C4' energy: -81.300 flat angles P-C4'-P energy: -62.374 tors. eta vs tors. theta energy: -100.713 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: 7 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1364.780725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.780725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.780725 (E_RNA) where: Base-Base interactions energy: -972.158 where: short stacking energy: -365.540 Base-Backbone interact. energy: -0.827 local terms energy: -391.795418 where: bonds (distance) C4'-P energy: -62.065 bonds (distance) P-C4' energy: -81.517 flat angles C4'-P-C4' energy: -86.091 flat angles P-C4'-P energy: -56.991 tors. eta vs tors. theta energy: -105.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1310.845773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.845773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.845773 (E_RNA) where: Base-Base interactions energy: -941.931 where: short stacking energy: -367.216 Base-Backbone interact. energy: 1.707 local terms energy: -370.621578 where: bonds (distance) C4'-P energy: -69.632 bonds (distance) P-C4' energy: -62.657 flat angles C4'-P-C4' energy: -80.216 flat angles P-C4'-P energy: -49.382 tors. eta vs tors. theta energy: -108.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1235.511939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.511939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.511939 (E_RNA) where: Base-Base interactions energy: -879.637 where: short stacking energy: -347.669 Base-Backbone interact. energy: -0.601 local terms energy: -355.273886 where: bonds (distance) C4'-P energy: -63.140 bonds (distance) P-C4' energy: -62.528 flat angles C4'-P-C4' energy: -77.443 flat angles P-C4'-P energy: -56.013 tors. eta vs tors. theta energy: -96.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1164.246335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.246335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.246335 (E_RNA) where: Base-Base interactions energy: -835.835 where: short stacking energy: -343.686 Base-Backbone interact. energy: -0.393 local terms energy: -328.018413 where: bonds (distance) C4'-P energy: -55.861 bonds (distance) P-C4' energy: -57.890 flat angles C4'-P-C4' energy: -74.428 flat angles P-C4'-P energy: -44.935 tors. eta vs tors. theta energy: -94.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1075.640440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.640440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.640440 (E_RNA) where: Base-Base interactions energy: -753.844 where: short stacking energy: -313.173 Base-Backbone interact. energy: 1.344 local terms energy: -323.140275 where: bonds (distance) C4'-P energy: -66.191 bonds (distance) P-C4' energy: -68.051 flat angles C4'-P-C4' energy: -64.850 flat angles P-C4'-P energy: -35.041 tors. eta vs tors. theta energy: -89.007 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: 4 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -957.999548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.999548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.999548 (E_RNA) where: Base-Base interactions energy: -653.965 where: short stacking energy: -260.767 Base-Backbone interact. energy: 0.468 local terms energy: -304.503166 where: bonds (distance) C4'-P energy: -52.092 bonds (distance) P-C4' energy: -71.297 flat angles C4'-P-C4' energy: -72.853 flat angles P-C4'-P energy: -38.218 tors. eta vs tors. theta energy: -70.042 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: 5 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1528.257816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.257816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.257816 (E_RNA) where: Base-Base interactions energy: -1091.575 where: short stacking energy: -431.346 Base-Backbone interact. energy: -0.748 local terms energy: -435.934929 where: bonds (distance) C4'-P energy: -79.941 bonds (distance) P-C4' energy: -72.989 flat angles C4'-P-C4' energy: -90.990 flat angles P-C4'-P energy: -73.079 tors. eta vs tors. theta energy: -118.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1464.711829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.711829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.711829 (E_RNA) where: Base-Base interactions energy: -1068.425 where: short stacking energy: -404.983 Base-Backbone interact. energy: -1.504 local terms energy: -394.783033 where: bonds (distance) C4'-P energy: -81.168 bonds (distance) P-C4' energy: -73.729 flat angles C4'-P-C4' energy: -78.640 flat angles P-C4'-P energy: -54.258 tors. eta vs tors. theta energy: -106.987 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: 1 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1423.352588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.352588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.352588 (E_RNA) where: Base-Base interactions energy: -1040.690 where: short stacking energy: -397.277 Base-Backbone interact. energy: -1.387 local terms energy: -381.276141 where: bonds (distance) C4'-P energy: -66.711 bonds (distance) P-C4' energy: -69.401 flat angles C4'-P-C4' energy: -88.521 flat angles P-C4'-P energy: -56.996 tors. eta vs tors. theta energy: -99.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1394.847083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.847083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.847083 (E_RNA) where: Base-Base interactions energy: -1008.319 where: short stacking energy: -387.605 Base-Backbone interact. energy: 0.310 local terms energy: -386.838123 where: bonds (distance) C4'-P energy: -68.292 bonds (distance) P-C4' energy: -73.631 flat angles C4'-P-C4' energy: -78.905 flat angles P-C4'-P energy: -49.573 tors. eta vs tors. theta energy: -116.436 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: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1364.654663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.654663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.654663 (E_RNA) where: Base-Base interactions energy: -990.562 where: short stacking energy: -384.317 Base-Backbone interact. energy: 1.268 local terms energy: -375.360265 where: bonds (distance) C4'-P energy: -58.098 bonds (distance) P-C4' energy: -65.394 flat angles C4'-P-C4' energy: -85.449 flat angles P-C4'-P energy: -61.961 tors. eta vs tors. theta energy: -104.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1284.234951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.234951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.234951 (E_RNA) where: Base-Base interactions energy: -925.127 where: short stacking energy: -362.208 Base-Backbone interact. energy: -1.319 local terms energy: -357.789215 where: bonds (distance) C4'-P energy: -55.549 bonds (distance) P-C4' energy: -73.304 flat angles C4'-P-C4' energy: -72.038 flat angles P-C4'-P energy: -55.653 tors. eta vs tors. theta energy: -101.245 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: 10 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1249.412340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.412340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.412340 (E_RNA) where: Base-Base interactions energy: -923.208 where: short stacking energy: -368.329 Base-Backbone interact. energy: -0.066 local terms energy: -326.137677 where: bonds (distance) C4'-P energy: -53.768 bonds (distance) P-C4' energy: -56.298 flat angles C4'-P-C4' energy: -68.968 flat angles P-C4'-P energy: -49.446 tors. eta vs tors. theta energy: -97.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1117.381080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.381080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.381080 (E_RNA) where: Base-Base interactions energy: -788.241 where: short stacking energy: -325.590 Base-Backbone interact. energy: -4.099 local terms energy: -325.040888 where: bonds (distance) C4'-P energy: -56.372 bonds (distance) P-C4' energy: -66.709 flat angles C4'-P-C4' energy: -68.049 flat angles P-C4'-P energy: -42.915 tors. eta vs tors. theta energy: -90.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1135.290934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.290934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.290934 (E_RNA) where: Base-Base interactions energy: -821.865 where: short stacking energy: -334.032 Base-Backbone interact. energy: -1.043 local terms energy: -312.383357 where: bonds (distance) C4'-P energy: -63.963 bonds (distance) P-C4' energy: -55.070 flat angles C4'-P-C4' energy: -60.153 flat angles P-C4'-P energy: -38.650 tors. eta vs tors. theta energy: -94.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -917.517758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.517758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.517758 (E_RNA) where: Base-Base interactions energy: -632.022 where: short stacking energy: -270.738 Base-Backbone interact. energy: 0.284 local terms energy: -285.779823 where: bonds (distance) C4'-P energy: -43.327 bonds (distance) P-C4' energy: -68.024 flat angles C4'-P-C4' energy: -76.630 flat angles P-C4'-P energy: -35.106 tors. eta vs tors. theta energy: -62.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1535.695036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.695036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.695036 (E_RNA) where: Base-Base interactions energy: -1109.003 where: short stacking energy: -433.467 Base-Backbone interact. energy: -1.096 local terms energy: -425.595935 where: bonds (distance) C4'-P energy: -70.458 bonds (distance) P-C4' energy: -74.692 flat angles C4'-P-C4' energy: -96.638 flat angles P-C4'-P energy: -65.177 tors. eta vs tors. theta energy: -118.631 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: 6 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1475.377748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.377748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.377748 (E_RNA) where: Base-Base interactions energy: -1090.631 where: short stacking energy: -426.155 Base-Backbone interact. energy: -2.379 local terms energy: -382.367458 where: bonds (distance) C4'-P energy: -68.762 bonds (distance) P-C4' energy: -69.349 flat angles C4'-P-C4' energy: -85.988 flat angles P-C4'-P energy: -50.615 tors. eta vs tors. theta energy: -107.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1431.857389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.857389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.857389 (E_RNA) where: Base-Base interactions energy: -1067.103 where: short stacking energy: -415.514 Base-Backbone interact. energy: 1.317 local terms energy: -366.072020 where: bonds (distance) C4'-P energy: -64.594 bonds (distance) P-C4' energy: -73.221 flat angles C4'-P-C4' energy: -79.706 flat angles P-C4'-P energy: -42.853 tors. eta vs tors. theta energy: -105.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1391.973833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.973833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.973833 (E_RNA) where: Base-Base interactions energy: -999.849 where: short stacking energy: -382.650 Base-Backbone interact. energy: -0.860 local terms energy: -391.265021 where: bonds (distance) C4'-P energy: -68.086 bonds (distance) P-C4' energy: -74.771 flat angles C4'-P-C4' energy: -86.876 flat angles P-C4'-P energy: -57.213 tors. eta vs tors. theta energy: -104.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1363.696015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.696015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.696015 (E_RNA) where: Base-Base interactions energy: -986.437 where: short stacking energy: -373.818 Base-Backbone interact. energy: -0.440 local terms energy: -376.819181 where: bonds (distance) C4'-P energy: -66.886 bonds (distance) P-C4' energy: -70.839 flat angles C4'-P-C4' energy: -81.565 flat angles P-C4'-P energy: -56.605 tors. eta vs tors. theta energy: -100.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1297.671800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.671800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.671800 (E_RNA) where: Base-Base interactions energy: -942.788 where: short stacking energy: -373.520 Base-Backbone interact. energy: 1.445 local terms energy: -356.329317 where: bonds (distance) C4'-P energy: -52.319 bonds (distance) P-C4' energy: -61.913 flat angles C4'-P-C4' energy: -84.290 flat angles P-C4'-P energy: -52.861 tors. eta vs tors. theta energy: -104.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1237.079946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.079946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.079946 (E_RNA) where: Base-Base interactions energy: -882.335 where: short stacking energy: -346.053 Base-Backbone interact. energy: 0.458 local terms energy: -355.203004 where: bonds (distance) C4'-P energy: -64.602 bonds (distance) P-C4' energy: -62.004 flat angles C4'-P-C4' energy: -67.718 flat angles P-C4'-P energy: -58.405 tors. eta vs tors. theta energy: -102.473 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: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1096.063180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.063180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.063180 (E_RNA) where: Base-Base interactions energy: -766.223 where: short stacking energy: -317.713 Base-Backbone interact. energy: 1.718 local terms energy: -331.558069 where: bonds (distance) C4'-P energy: -57.015 bonds (distance) P-C4' energy: -79.337 flat angles C4'-P-C4' energy: -55.495 flat angles P-C4'-P energy: -53.303 tors. eta vs tors. theta energy: -86.408 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: 9, replica: 3 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1082.094030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.094030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.094030 (E_RNA) where: Base-Base interactions energy: -751.380 where: short stacking energy: -295.475 Base-Backbone interact. energy: -0.598 local terms energy: -330.115930 where: bonds (distance) C4'-P energy: -58.440 bonds (distance) P-C4' energy: -63.037 flat angles C4'-P-C4' energy: -70.642 flat angles P-C4'-P energy: -55.412 tors. eta vs tors. theta energy: -82.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -880.232868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.232868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.232868 (E_RNA) where: Base-Base interactions energy: -598.892 where: short stacking energy: -235.822 Base-Backbone interact. energy: -0.345 local terms energy: -280.995301 where: bonds (distance) C4'-P energy: -66.658 bonds (distance) P-C4' energy: -54.258 flat angles C4'-P-C4' energy: -65.426 flat angles P-C4'-P energy: -40.720 tors. eta vs tors. theta energy: -53.934 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: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1531.290471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.290471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.290471 (E_RNA) where: Base-Base interactions energy: -1109.540 where: short stacking energy: -436.560 Base-Backbone interact. energy: -1.104 local terms energy: -420.646961 where: bonds (distance) C4'-P energy: -76.401 bonds (distance) P-C4' energy: -62.743 flat angles C4'-P-C4' energy: -88.750 flat angles P-C4'-P energy: -68.888 tors. eta vs tors. theta energy: -123.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1496.227961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.227961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.227961 (E_RNA) where: Base-Base interactions energy: -1091.980 where: short stacking energy: -423.201 Base-Backbone interact. energy: -0.530 local terms energy: -403.717208 where: bonds (distance) C4'-P energy: -67.637 bonds (distance) P-C4' energy: -70.515 flat angles C4'-P-C4' energy: -83.163 flat angles P-C4'-P energy: -62.574 tors. eta vs tors. theta energy: -119.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1424.275520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.275520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.275520 (E_RNA) where: Base-Base interactions energy: -1050.399 where: short stacking energy: -399.638 Base-Backbone interact. energy: 0.677 local terms energy: -374.553518 where: bonds (distance) C4'-P energy: -71.203 bonds (distance) P-C4' energy: -57.870 flat angles C4'-P-C4' energy: -81.910 flat angles P-C4'-P energy: -56.200 tors. eta vs tors. theta energy: -107.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1394.047389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.047389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.047389 (E_RNA) where: Base-Base interactions energy: -1007.824 where: short stacking energy: -396.705 Base-Backbone interact. energy: 0.901 local terms energy: -387.123960 where: bonds (distance) C4'-P energy: -72.128 bonds (distance) P-C4' energy: -67.655 flat angles C4'-P-C4' energy: -80.730 flat angles P-C4'-P energy: -55.470 tors. eta vs tors. theta energy: -111.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1358.825178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.825178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.825178 (E_RNA) where: Base-Base interactions energy: -997.333 where: short stacking energy: -387.542 Base-Backbone interact. energy: 2.542 local terms energy: -364.033816 where: bonds (distance) C4'-P energy: -74.656 bonds (distance) P-C4' energy: -50.414 flat angles C4'-P-C4' energy: -83.498 flat angles P-C4'-P energy: -47.185 tors. eta vs tors. theta energy: -108.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1298.684434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.684434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.684434 (E_RNA) where: Base-Base interactions energy: -943.176 where: short stacking energy: -357.909 Base-Backbone interact. energy: -1.922 local terms energy: -353.586864 where: bonds (distance) C4'-P energy: -66.695 bonds (distance) P-C4' energy: -56.996 flat angles C4'-P-C4' energy: -76.784 flat angles P-C4'-P energy: -47.217 tors. eta vs tors. theta energy: -105.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1214.157209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.157209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.157209 (E_RNA) where: Base-Base interactions energy: -867.393 where: short stacking energy: -340.700 Base-Backbone interact. energy: -1.250 local terms energy: -345.514179 where: bonds (distance) C4'-P energy: -58.959 bonds (distance) P-C4' energy: -69.705 flat angles C4'-P-C4' energy: -64.883 flat angles P-C4'-P energy: -53.756 tors. eta vs tors. theta energy: -98.212 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: 57 Temperature: 1.250000 Total energy: -1157.023999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.023999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.023999 (E_RNA) where: Base-Base interactions energy: -802.910 where: short stacking energy: -319.578 Base-Backbone interact. energy: 0.096 local terms energy: -354.210116 where: bonds (distance) C4'-P energy: -59.980 bonds (distance) P-C4' energy: -64.225 flat angles C4'-P-C4' energy: -83.639 flat angles P-C4'-P energy: -55.015 tors. eta vs tors. theta energy: -91.351 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: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1048.104304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.104304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.104304 (E_RNA) where: Base-Base interactions energy: -741.831 where: short stacking energy: -299.281 Base-Backbone interact. energy: -0.681 local terms energy: -305.591680 where: bonds (distance) C4'-P energy: -46.309 bonds (distance) P-C4' energy: -67.104 flat angles C4'-P-C4' energy: -73.823 flat angles P-C4'-P energy: -44.769 tors. eta vs tors. theta energy: -73.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -868.361921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.361921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.361921 (E_RNA) where: Base-Base interactions energy: -582.990 where: short stacking energy: -246.299 Base-Backbone interact. energy: -0.955 local terms energy: -284.417571 where: bonds (distance) C4'-P energy: -56.758 bonds (distance) P-C4' energy: -55.344 flat angles C4'-P-C4' energy: -68.909 flat angles P-C4'-P energy: -43.869 tors. eta vs tors. theta energy: -59.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1536.151362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.151362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.151362 (E_RNA) where: Base-Base interactions energy: -1111.228 where: short stacking energy: -435.687 Base-Backbone interact. energy: 0.520 local terms energy: -425.443747 where: bonds (distance) C4'-P energy: -79.420 bonds (distance) P-C4' energy: -79.304 flat angles C4'-P-C4' energy: -84.372 flat angles P-C4'-P energy: -59.339 tors. eta vs tors. theta energy: -123.008 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: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1495.226378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.226378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.226378 (E_RNA) where: Base-Base interactions energy: -1106.797 where: short stacking energy: -427.809 Base-Backbone interact. energy: -0.560 local terms energy: -387.869434 where: bonds (distance) C4'-P energy: -65.009 bonds (distance) P-C4' energy: -77.341 flat angles C4'-P-C4' energy: -79.332 flat angles P-C4'-P energy: -56.268 tors. eta vs tors. theta energy: -109.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1420.459309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.459309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.459309 (E_RNA) where: Base-Base interactions energy: -1030.371 where: short stacking energy: -373.240 Base-Backbone interact. energy: 2.028 local terms energy: -392.117033 where: bonds (distance) C4'-P energy: -64.310 bonds (distance) P-C4' energy: -83.814 flat angles C4'-P-C4' energy: -81.622 flat angles P-C4'-P energy: -60.363 tors. eta vs tors. theta energy: -102.009 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: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1418.149483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.149483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.149483 (E_RNA) where: Base-Base interactions energy: -1030.146 where: short stacking energy: -397.352 Base-Backbone interact. energy: -1.245 local terms energy: -386.758326 where: bonds (distance) C4'-P energy: -65.003 bonds (distance) P-C4' energy: -73.469 flat angles C4'-P-C4' energy: -77.894 flat angles P-C4'-P energy: -60.124 tors. eta vs tors. theta energy: -110.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1391.836116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.836116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.836116 (E_RNA) where: Base-Base interactions energy: -1003.540 where: short stacking energy: -397.714 Base-Backbone interact. energy: -0.086 local terms energy: -388.209816 where: bonds (distance) C4'-P energy: -80.179 bonds (distance) P-C4' energy: -58.420 flat angles C4'-P-C4' energy: -84.493 flat angles P-C4'-P energy: -47.936 tors. eta vs tors. theta energy: -117.183 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: 8 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1315.040478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.040478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.040478 (E_RNA) where: Base-Base interactions energy: -943.974 where: short stacking energy: -362.658 Base-Backbone interact. energy: -0.810 local terms energy: -370.257062 where: bonds (distance) C4'-P energy: -61.551 bonds (distance) P-C4' energy: -66.492 flat angles C4'-P-C4' energy: -87.900 flat angles P-C4'-P energy: -48.113 tors. eta vs tors. theta energy: -106.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1184.194510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.194510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.194510 (E_RNA) where: Base-Base interactions energy: -819.130 where: short stacking energy: -323.837 Base-Backbone interact. energy: -0.318 local terms energy: -364.746309 where: bonds (distance) C4'-P energy: -67.547 bonds (distance) P-C4' energy: -78.596 flat angles C4'-P-C4' energy: -76.900 flat angles P-C4'-P energy: -47.449 tors. eta vs tors. theta energy: -94.254 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: 10 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1197.375818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.375818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.375818 (E_RNA) where: Base-Base interactions energy: -860.041 where: short stacking energy: -335.212 Base-Backbone interact. energy: -1.633 local terms energy: -335.701472 where: bonds (distance) C4'-P energy: -59.233 bonds (distance) P-C4' energy: -57.884 flat angles C4'-P-C4' energy: -86.086 flat angles P-C4'-P energy: -41.968 tors. eta vs tors. theta energy: -90.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1081.611582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.611582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.611582 (E_RNA) where: Base-Base interactions energy: -770.761 where: short stacking energy: -311.162 Base-Backbone interact. energy: 4.689 local terms energy: -315.539859 where: bonds (distance) C4'-P energy: -62.798 bonds (distance) P-C4' energy: -63.016 flat angles C4'-P-C4' energy: -65.354 flat angles P-C4'-P energy: -44.349 tors. eta vs tors. theta energy: -80.024 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: 4 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -900.550709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.550709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.550709 (E_RNA) where: Base-Base interactions energy: -625.438 where: short stacking energy: -250.786 Base-Backbone interact. energy: 3.094 local terms energy: -278.206505 where: bonds (distance) C4'-P energy: -53.349 bonds (distance) P-C4' energy: -58.405 flat angles C4'-P-C4' energy: -69.879 flat angles P-C4'-P energy: -34.576 tors. eta vs tors. theta energy: -61.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1530.288652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.288652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.288652 (E_RNA) where: Base-Base interactions energy: -1098.148 where: short stacking energy: -430.079 Base-Backbone interact. energy: -0.942 local terms energy: -431.198455 where: bonds (distance) C4'-P energy: -78.104 bonds (distance) P-C4' energy: -79.641 flat angles C4'-P-C4' energy: -92.103 flat angles P-C4'-P energy: -61.739 tors. eta vs tors. theta energy: -119.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1500.283346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.283346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.283346 (E_RNA) where: Base-Base interactions energy: -1081.293 where: short stacking energy: -413.083 Base-Backbone interact. energy: 0.990 local terms energy: -419.981270 where: bonds (distance) C4'-P energy: -70.586 bonds (distance) P-C4' energy: -85.086 flat angles C4'-P-C4' energy: -88.594 flat angles P-C4'-P energy: -56.470 tors. eta vs tors. theta energy: -119.245 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: 7 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1448.510860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.510860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.510860 (E_RNA) where: Base-Base interactions energy: -1059.944 where: short stacking energy: -397.659 Base-Backbone interact. energy: -1.057 local terms energy: -387.509881 where: bonds (distance) C4'-P energy: -65.806 bonds (distance) P-C4' energy: -62.692 flat angles C4'-P-C4' energy: -82.297 flat angles P-C4'-P energy: -71.514 tors. eta vs tors. theta energy: -105.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1419.055961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.055961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.055961 (E_RNA) where: Base-Base interactions energy: -1025.146 where: short stacking energy: -398.433 Base-Backbone interact. energy: 2.159 local terms energy: -396.069413 where: bonds (distance) C4'-P energy: -66.837 bonds (distance) P-C4' energy: -75.031 flat angles C4'-P-C4' energy: -89.356 flat angles P-C4'-P energy: -55.031 tors. eta vs tors. theta energy: -109.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1393.398386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.398386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.398386 (E_RNA) where: Base-Base interactions energy: -1004.883 where: short stacking energy: -391.104 Base-Backbone interact. energy: 0.124 local terms energy: -388.639725 where: bonds (distance) C4'-P energy: -66.834 bonds (distance) P-C4' energy: -71.291 flat angles C4'-P-C4' energy: -85.070 flat angles P-C4'-P energy: -48.944 tors. eta vs tors. theta energy: -116.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1298.236201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.236201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.236201 (E_RNA) where: Base-Base interactions energy: -947.006 where: short stacking energy: -365.319 Base-Backbone interact. energy: -1.078 local terms energy: -350.152179 where: bonds (distance) C4'-P energy: -60.886 bonds (distance) P-C4' energy: -71.262 flat angles C4'-P-C4' energy: -70.347 flat angles P-C4'-P energy: -44.440 tors. eta vs tors. theta energy: -103.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1178.060331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.060331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.060331 (E_RNA) where: Base-Base interactions energy: -831.789 where: short stacking energy: -341.955 Base-Backbone interact. energy: -0.277 local terms energy: -345.994336 where: bonds (distance) C4'-P energy: -59.935 bonds (distance) P-C4' energy: -60.824 flat angles C4'-P-C4' energy: -83.410 flat angles P-C4'-P energy: -46.702 tors. eta vs tors. theta energy: -95.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1177.177562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.177562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.177562 (E_RNA) where: Base-Base interactions energy: -821.566 where: short stacking energy: -329.607 Base-Backbone interact. energy: 1.214 local terms energy: -356.825732 where: bonds (distance) C4'-P energy: -66.960 bonds (distance) P-C4' energy: -65.730 flat angles C4'-P-C4' energy: -71.934 flat angles P-C4'-P energy: -56.549 tors. eta vs tors. theta energy: -95.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1152.898670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.898670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.898670 (E_RNA) where: Base-Base interactions energy: -809.560 where: short stacking energy: -304.842 Base-Backbone interact. energy: 0.954 local terms energy: -344.292516 where: bonds (distance) C4'-P energy: -67.381 bonds (distance) P-C4' energy: -71.545 flat angles C4'-P-C4' energy: -70.234 flat angles P-C4'-P energy: -41.426 tors. eta vs tors. theta energy: -93.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -908.213801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.213801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.213801 (E_RNA) where: Base-Base interactions energy: -604.454 where: short stacking energy: -266.765 Base-Backbone interact. energy: -1.767 local terms energy: -301.993377 where: bonds (distance) C4'-P energy: -66.293 bonds (distance) P-C4' energy: -70.878 flat angles C4'-P-C4' energy: -59.024 flat angles P-C4'-P energy: -43.056 tors. eta vs tors. theta energy: -62.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1533.838901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.838901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.838901 (E_RNA) where: Base-Base interactions energy: -1103.058 where: short stacking energy: -432.632 Base-Backbone interact. energy: -1.087 local terms energy: -429.693779 where: bonds (distance) C4'-P energy: -72.843 bonds (distance) P-C4' energy: -77.220 flat angles C4'-P-C4' energy: -94.285 flat angles P-C4'-P energy: -63.258 tors. eta vs tors. theta energy: -122.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1503.243710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.243710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.243710 (E_RNA) where: Base-Base interactions energy: -1089.305 where: short stacking energy: -414.331 Base-Backbone interact. energy: -0.554 local terms energy: -413.385181 where: bonds (distance) C4'-P energy: -69.229 bonds (distance) P-C4' energy: -74.305 flat angles C4'-P-C4' energy: -87.114 flat angles P-C4'-P energy: -64.501 tors. eta vs tors. theta energy: -118.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1462.365366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.365366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.365366 (E_RNA) where: Base-Base interactions energy: -1057.278 where: short stacking energy: -393.512 Base-Backbone interact. energy: -1.443 local terms energy: -403.644717 where: bonds (distance) C4'-P energy: -73.222 bonds (distance) P-C4' energy: -69.700 flat angles C4'-P-C4' energy: -90.518 flat angles P-C4'-P energy: -61.826 tors. eta vs tors. theta energy: -108.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1434.972851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.972851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.972851 (E_RNA) where: Base-Base interactions energy: -1060.273 where: short stacking energy: -412.544 Base-Backbone interact. energy: -1.434 local terms energy: -373.265969 where: bonds (distance) C4'-P energy: -81.846 bonds (distance) P-C4' energy: -57.940 flat angles C4'-P-C4' energy: -75.932 flat angles P-C4'-P energy: -48.876 tors. eta vs tors. theta energy: -108.672 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: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1373.840221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.840221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.840221 (E_RNA) where: Base-Base interactions energy: -995.859 where: short stacking energy: -380.857 Base-Backbone interact. energy: -0.892 local terms energy: -377.089470 where: bonds (distance) C4'-P energy: -63.643 bonds (distance) P-C4' energy: -70.255 flat angles C4'-P-C4' energy: -85.476 flat angles P-C4'-P energy: -51.589 tors. eta vs tors. theta energy: -106.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1311.412566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.412566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.412566 (E_RNA) where: Base-Base interactions energy: -973.979 where: short stacking energy: -376.178 Base-Backbone interact. energy: -2.026 local terms energy: -335.407685 where: bonds (distance) C4'-P energy: -58.825 bonds (distance) P-C4' energy: -58.882 flat angles C4'-P-C4' energy: -71.172 flat angles P-C4'-P energy: -38.566 tors. eta vs tors. theta energy: -107.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1175.377770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.377770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.377770 (E_RNA) where: Base-Base interactions energy: -833.498 where: short stacking energy: -336.179 Base-Backbone interact. energy: 0.615 local terms energy: -342.495085 where: bonds (distance) C4'-P energy: -67.339 bonds (distance) P-C4' energy: -70.301 flat angles C4'-P-C4' energy: -76.650 flat angles P-C4'-P energy: -33.873 tors. eta vs tors. theta energy: -94.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1200.179259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.179259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.179259 (E_RNA) where: Base-Base interactions energy: -845.354 where: short stacking energy: -357.810 Base-Backbone interact. energy: -1.213 local terms energy: -353.612008 where: bonds (distance) C4'-P energy: -66.533 bonds (distance) P-C4' energy: -52.999 flat angles C4'-P-C4' energy: -82.889 flat angles P-C4'-P energy: -51.997 tors. eta vs tors. theta energy: -99.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1125.140613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.140613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.140613 (E_RNA) where: Base-Base interactions energy: -810.715 where: short stacking energy: -334.049 Base-Backbone interact. energy: -2.395 local terms energy: -312.030329 where: bonds (distance) C4'-P energy: -68.846 bonds (distance) P-C4' energy: -45.413 flat angles C4'-P-C4' energy: -70.832 flat angles P-C4'-P energy: -41.383 tors. eta vs tors. theta energy: -85.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -848.309579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.309579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.309579 (E_RNA) where: Base-Base interactions energy: -555.989 where: short stacking energy: -238.750 Base-Backbone interact. energy: -2.565 local terms energy: -289.755259 where: bonds (distance) C4'-P energy: -53.335 bonds (distance) P-C4' energy: -76.292 flat angles C4'-P-C4' energy: -70.315 flat angles P-C4'-P energy: -42.301 tors. eta vs tors. theta energy: -47.511 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: 1, replica: 5 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1555.282324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.282324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.282324 (E_RNA) where: Base-Base interactions energy: -1140.730 where: short stacking energy: -442.555 Base-Backbone interact. energy: -0.534 local terms energy: -414.018384 where: bonds (distance) C4'-P energy: -71.554 bonds (distance) P-C4' energy: -64.882 flat angles C4'-P-C4' energy: -88.340 flat angles P-C4'-P energy: -66.344 tors. eta vs tors. theta energy: -122.900 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: 6 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1489.175148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.175148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.175148 (E_RNA) where: Base-Base interactions energy: -1075.039 where: short stacking energy: -415.218 Base-Backbone interact. energy: -0.260 local terms energy: -413.875865 where: bonds (distance) C4'-P energy: -79.164 bonds (distance) P-C4' energy: -75.762 flat angles C4'-P-C4' energy: -88.971 flat angles P-C4'-P energy: -56.049 tors. eta vs tors. theta energy: -113.929 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: 7 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1426.160656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.160656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.160656 (E_RNA) where: Base-Base interactions energy: -1038.246 where: short stacking energy: -399.395 Base-Backbone interact. energy: 2.378 local terms energy: -390.292834 where: bonds (distance) C4'-P energy: -73.220 bonds (distance) P-C4' energy: -72.288 flat angles C4'-P-C4' energy: -86.766 flat angles P-C4'-P energy: -49.012 tors. eta vs tors. theta energy: -109.007 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: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1456.078137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.078137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.078137 (E_RNA) where: Base-Base interactions energy: -1050.899 where: short stacking energy: -409.750 Base-Backbone interact. energy: 0.554 local terms energy: -405.733331 where: bonds (distance) C4'-P energy: -67.149 bonds (distance) P-C4' energy: -79.856 flat angles C4'-P-C4' energy: -81.572 flat angles P-C4'-P energy: -66.071 tors. eta vs tors. theta energy: -111.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1393.311496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.311496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.311496 (E_RNA) where: Base-Base interactions energy: -1010.287 where: short stacking energy: -387.217 Base-Backbone interact. energy: -1.568 local terms energy: -381.456993 where: bonds (distance) C4'-P energy: -77.543 bonds (distance) P-C4' energy: -67.338 flat angles C4'-P-C4' energy: -78.066 flat angles P-C4'-P energy: -50.721 tors. eta vs tors. theta energy: -107.788 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: 6, replica: 8 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1291.411866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.411866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.411866 (E_RNA) where: Base-Base interactions energy: -938.555 where: short stacking energy: -372.353 Base-Backbone interact. energy: -1.840 local terms energy: -351.016707 where: bonds (distance) C4'-P energy: -56.592 bonds (distance) P-C4' energy: -76.317 flat angles C4'-P-C4' energy: -79.862 flat angles P-C4'-P energy: -35.732 tors. eta vs tors. theta energy: -102.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1162.192707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.192707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.192707 (E_RNA) where: Base-Base interactions energy: -811.986 where: short stacking energy: -347.206 Base-Backbone interact. energy: -1.135 local terms energy: -349.070839 where: bonds (distance) C4'-P energy: -65.958 bonds (distance) P-C4' energy: -69.645 flat angles C4'-P-C4' energy: -77.008 flat angles P-C4'-P energy: -45.327 tors. eta vs tors. theta energy: -91.133 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: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1151.787776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.787776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.787776 (E_RNA) where: Base-Base interactions energy: -826.913 where: short stacking energy: -344.637 Base-Backbone interact. energy: 2.038 local terms energy: -326.912673 where: bonds (distance) C4'-P energy: -51.706 bonds (distance) P-C4' energy: -65.546 flat angles C4'-P-C4' energy: -78.319 flat angles P-C4'-P energy: -46.244 tors. eta vs tors. theta energy: -85.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1130.579741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.579741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.579741 (E_RNA) where: Base-Base interactions energy: -796.614 where: short stacking energy: -324.290 Base-Backbone interact. energy: 1.556 local terms energy: -335.522439 where: bonds (distance) C4'-P energy: -71.822 bonds (distance) P-C4' energy: -54.314 flat angles C4'-P-C4' energy: -67.322 flat angles P-C4'-P energy: -45.015 tors. eta vs tors. theta energy: -97.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -834.303209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.303209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.303209 (E_RNA) where: Base-Base interactions energy: -549.451 where: short stacking energy: -228.955 Base-Backbone interact. energy: 1.367 local terms energy: -286.219539 where: bonds (distance) C4'-P energy: -65.309 bonds (distance) P-C4' energy: -76.071 flat angles C4'-P-C4' energy: -56.017 flat angles P-C4'-P energy: -35.846 tors. eta vs tors. theta energy: -52.977 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: 62 Temperature: 0.900000 Total energy: -1549.099437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.099437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.099437 (E_RNA) where: Base-Base interactions energy: -1111.752 where: short stacking energy: -432.112 Base-Backbone interact. energy: -0.952 local terms energy: -436.395341 where: bonds (distance) C4'-P energy: -78.490 bonds (distance) P-C4' energy: -78.999 flat angles C4'-P-C4' energy: -89.738 flat angles P-C4'-P energy: -66.853 tors. eta vs tors. theta energy: -122.315 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: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1500.139139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.139139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.139139 (E_RNA) where: Base-Base interactions energy: -1089.995 where: short stacking energy: -423.267 Base-Backbone interact. energy: 0.243 local terms energy: -410.386990 where: bonds (distance) C4'-P energy: -76.365 bonds (distance) P-C4' energy: -68.256 flat angles C4'-P-C4' energy: -86.467 flat angles P-C4'-P energy: -68.867 tors. eta vs tors. theta energy: -110.432 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: 1 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1482.306074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.306074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.306074 (E_RNA) where: Base-Base interactions energy: -1062.830 where: short stacking energy: -409.697 Base-Backbone interact. energy: -1.553 local terms energy: -417.922745 where: bonds (distance) C4'-P energy: -76.821 bonds (distance) P-C4' energy: -75.987 flat angles C4'-P-C4' energy: -83.999 flat angles P-C4'-P energy: -59.695 tors. eta vs tors. theta energy: -121.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1386.945991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.945991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.945991 (E_RNA) where: Base-Base interactions energy: -1012.116 where: short stacking energy: -382.923 Base-Backbone interact. energy: -1.448 local terms energy: -373.382270 where: bonds (distance) C4'-P energy: -63.937 bonds (distance) P-C4' energy: -73.775 flat angles C4'-P-C4' energy: -79.374 flat angles P-C4'-P energy: -47.485 tors. eta vs tors. theta energy: -108.811 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: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1389.195857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.195857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.195857 (E_RNA) where: Base-Base interactions energy: -1021.758 where: short stacking energy: -401.234 Base-Backbone interact. energy: 0.935 local terms energy: -368.373217 where: bonds (distance) C4'-P energy: -63.370 bonds (distance) P-C4' energy: -59.350 flat angles C4'-P-C4' energy: -75.989 flat angles P-C4'-P energy: -59.138 tors. eta vs tors. theta energy: -110.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1278.780429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.780429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.780429 (E_RNA) where: Base-Base interactions energy: -924.305 where: short stacking energy: -348.553 Base-Backbone interact. energy: -1.101 local terms energy: -353.374138 where: bonds (distance) C4'-P energy: -63.407 bonds (distance) P-C4' energy: -73.250 flat angles C4'-P-C4' energy: -64.803 flat angles P-C4'-P energy: -50.647 tors. eta vs tors. theta energy: -101.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1231.968955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.968955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.968955 (E_RNA) where: Base-Base interactions energy: -893.347 where: short stacking energy: -358.274 Base-Backbone interact. energy: -0.842 local terms energy: -337.780678 where: bonds (distance) C4'-P energy: -67.649 bonds (distance) P-C4' energy: -55.492 flat angles C4'-P-C4' energy: -68.369 flat angles P-C4'-P energy: -50.124 tors. eta vs tors. theta energy: -96.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1135.052907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.052907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.052907 (E_RNA) where: Base-Base interactions energy: -805.009 where: short stacking energy: -322.995 Base-Backbone interact. energy: -0.175 local terms energy: -329.869004 where: bonds (distance) C4'-P energy: -62.656 bonds (distance) P-C4' energy: -72.666 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -40.932 tors. eta vs tors. theta energy: -86.066 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: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1138.785937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.785937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.785937 (E_RNA) where: Base-Base interactions energy: -825.452 where: short stacking energy: -322.092 Base-Backbone interact. energy: -0.761 local terms energy: -312.572652 where: bonds (distance) C4'-P energy: -54.853 bonds (distance) P-C4' energy: -55.786 flat angles C4'-P-C4' energy: -68.378 flat angles P-C4'-P energy: -45.664 tors. eta vs tors. theta energy: -87.892 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: 4 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -887.883758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.883758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.883758 (E_RNA) where: Base-Base interactions energy: -587.620 where: short stacking energy: -247.673 Base-Backbone interact. energy: -1.288 local terms energy: -298.975829 where: bonds (distance) C4'-P energy: -60.617 bonds (distance) P-C4' energy: -69.460 flat angles C4'-P-C4' energy: -71.789 flat angles P-C4'-P energy: -43.233 tors. eta vs tors. theta energy: -53.876 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: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1538.024689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.024689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.024689 (E_RNA) where: Base-Base interactions energy: -1105.407 where: short stacking energy: -430.673 Base-Backbone interact. energy: -0.547 local terms energy: -432.071181 where: bonds (distance) C4'-P energy: -75.000 bonds (distance) P-C4' energy: -86.290 flat angles C4'-P-C4' energy: -80.020 flat angles P-C4'-P energy: -66.391 tors. eta vs tors. theta energy: -124.370 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: 6 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1481.977136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.977136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.977136 (E_RNA) where: Base-Base interactions energy: -1084.851 where: short stacking energy: -411.794 Base-Backbone interact. energy: -1.234 local terms energy: -395.892767 where: bonds (distance) C4'-P energy: -76.162 bonds (distance) P-C4' energy: -69.189 flat angles C4'-P-C4' energy: -80.557 flat angles P-C4'-P energy: -60.093 tors. eta vs tors. theta energy: -109.893 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: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1452.158240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.158240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.158240 (E_RNA) where: Base-Base interactions energy: -1065.748 where: short stacking energy: -421.400 Base-Backbone interact. energy: -0.752 local terms energy: -385.658170 where: bonds (distance) C4'-P energy: -68.255 bonds (distance) P-C4' energy: -61.887 flat angles C4'-P-C4' energy: -85.414 flat angles P-C4'-P energy: -53.886 tors. eta vs tors. theta energy: -116.217 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: 4, replica: 7 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1393.135038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.135038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.135038 (E_RNA) where: Base-Base interactions energy: -1000.813 where: short stacking energy: -365.055 Base-Backbone interact. energy: -1.534 local terms energy: -390.787787 where: bonds (distance) C4'-P energy: -69.605 bonds (distance) P-C4' energy: -78.099 flat angles C4'-P-C4' energy: -87.200 flat angles P-C4'-P energy: -51.478 tors. eta vs tors. theta energy: -104.405 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: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1405.318929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.318929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.318929 (E_RNA) where: Base-Base interactions energy: -1024.723 where: short stacking energy: -394.083 Base-Backbone interact. energy: 0.978 local terms energy: -381.573607 where: bonds (distance) C4'-P energy: -68.095 bonds (distance) P-C4' energy: -56.836 flat angles C4'-P-C4' energy: -84.318 flat angles P-C4'-P energy: -56.106 tors. eta vs tors. theta energy: -116.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1289.424399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.424399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.424399 (E_RNA) where: Base-Base interactions energy: -935.925 where: short stacking energy: -368.679 Base-Backbone interact. energy: 1.065 local terms energy: -354.564481 where: bonds (distance) C4'-P energy: -64.540 bonds (distance) P-C4' energy: -62.667 flat angles C4'-P-C4' energy: -71.979 flat angles P-C4'-P energy: -49.724 tors. eta vs tors. theta energy: -105.654 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: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1216.078811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.078811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.078811 (E_RNA) where: Base-Base interactions energy: -854.560 where: short stacking energy: -345.879 Base-Backbone interact. energy: -2.475 local terms energy: -359.044679 where: bonds (distance) C4'-P energy: -67.214 bonds (distance) P-C4' energy: -76.494 flat angles C4'-P-C4' energy: -76.926 flat angles P-C4'-P energy: -46.656 tors. eta vs tors. theta energy: -91.755 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: 9 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1171.106407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.106407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.106407 (E_RNA) where: Base-Base interactions energy: -815.837 where: short stacking energy: -340.855 Base-Backbone interact. energy: -1.874 local terms energy: -353.395647 where: bonds (distance) C4'-P energy: -67.384 bonds (distance) P-C4' energy: -79.622 flat angles C4'-P-C4' energy: -72.455 flat angles P-C4'-P energy: -46.627 tors. eta vs tors. theta energy: -87.307 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: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1125.963948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.963948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.963948 (E_RNA) where: Base-Base interactions energy: -798.769 where: short stacking energy: -309.751 Base-Backbone interact. energy: 3.895 local terms energy: -331.089939 where: bonds (distance) C4'-P energy: -51.765 bonds (distance) P-C4' energy: -73.242 flat angles C4'-P-C4' energy: -63.136 flat angles P-C4'-P energy: -52.833 tors. eta vs tors. theta energy: -90.113 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: 4 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -908.600249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.600249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.600249 (E_RNA) where: Base-Base interactions energy: -608.484 where: short stacking energy: -243.080 Base-Backbone interact. energy: 0.564 local terms energy: -300.680024 where: bonds (distance) C4'-P energy: -63.644 bonds (distance) P-C4' energy: -63.646 flat angles C4'-P-C4' energy: -68.281 flat angles P-C4'-P energy: -49.915 tors. eta vs tors. theta energy: -55.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1544.529492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.529492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.529492 (E_RNA) where: Base-Base interactions energy: -1116.196 where: short stacking energy: -442.836 Base-Backbone interact. energy: -2.236 local terms energy: -426.097792 where: bonds (distance) C4'-P energy: -80.123 bonds (distance) P-C4' energy: -79.081 flat angles C4'-P-C4' energy: -91.553 flat angles P-C4'-P energy: -57.719 tors. eta vs tors. theta energy: -117.622 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: 6 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1494.238588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.238588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.238588 (E_RNA) where: Base-Base interactions energy: -1091.326 where: short stacking energy: -413.190 Base-Backbone interact. energy: -1.303 local terms energy: -401.609142 where: bonds (distance) C4'-P energy: -66.710 bonds (distance) P-C4' energy: -73.130 flat angles C4'-P-C4' energy: -82.388 flat angles P-C4'-P energy: -57.980 tors. eta vs tors. theta energy: -121.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1471.401274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.401274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.401274 (E_RNA) where: Base-Base interactions energy: -1067.310 where: short stacking energy: -418.824 Base-Backbone interact. energy: 0.149 local terms energy: -404.240449 where: bonds (distance) C4'-P energy: -69.822 bonds (distance) P-C4' energy: -76.991 flat angles C4'-P-C4' energy: -81.925 flat angles P-C4'-P energy: -57.008 tors. eta vs tors. theta energy: -118.495 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: 7 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1369.638262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.638262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.638262 (E_RNA) where: Base-Base interactions energy: -989.527 where: short stacking energy: -373.982 Base-Backbone interact. energy: -0.719 local terms energy: -379.392720 where: bonds (distance) C4'-P energy: -76.127 bonds (distance) P-C4' energy: -58.145 flat angles C4'-P-C4' energy: -85.721 flat angles P-C4'-P energy: -57.199 tors. eta vs tors. theta energy: -102.201 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: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1384.071514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.071514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.071514 (E_RNA) where: Base-Base interactions energy: -1002.593 where: short stacking energy: -385.097 Base-Backbone interact. energy: 0.721 local terms energy: -382.199737 where: bonds (distance) C4'-P energy: -67.372 bonds (distance) P-C4' energy: -68.321 flat angles C4'-P-C4' energy: -81.810 flat angles P-C4'-P energy: -58.879 tors. eta vs tors. theta energy: -105.817 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: 6, replica: 8 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1271.151239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.151239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.151239 (E_RNA) where: Base-Base interactions energy: -903.537 where: short stacking energy: -362.378 Base-Backbone interact. energy: 0.415 local terms energy: -368.029254 where: bonds (distance) C4'-P energy: -67.894 bonds (distance) P-C4' energy: -64.804 flat angles C4'-P-C4' energy: -85.031 flat angles P-C4'-P energy: -49.751 tors. eta vs tors. theta energy: -100.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1191.117466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.117466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.117466 (E_RNA) where: Base-Base interactions energy: -847.051 where: short stacking energy: -337.376 Base-Backbone interact. energy: -0.388 local terms energy: -343.678436 where: bonds (distance) C4'-P energy: -57.814 bonds (distance) P-C4' energy: -73.461 flat angles C4'-P-C4' energy: -71.069 flat angles P-C4'-P energy: -51.475 tors. eta vs tors. theta energy: -89.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1127.465363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.465363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.465363 (E_RNA) where: Base-Base interactions energy: -796.686 where: short stacking energy: -313.239 Base-Backbone interact. energy: 0.530 local terms energy: -331.309064 where: bonds (distance) C4'-P energy: -54.392 bonds (distance) P-C4' energy: -67.028 flat angles C4'-P-C4' energy: -73.553 flat angles P-C4'-P energy: -54.907 tors. eta vs tors. theta energy: -81.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1134.034113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.034113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.034113 (E_RNA) where: Base-Base interactions energy: -820.854 where: short stacking energy: -332.680 Base-Backbone interact. energy: -2.463 local terms energy: -310.717661 where: bonds (distance) C4'-P energy: -54.809 bonds (distance) P-C4' energy: -56.511 flat angles C4'-P-C4' energy: -75.087 flat angles P-C4'-P energy: -40.616 tors. eta vs tors. theta energy: -83.695 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: 4 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -894.334058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.334058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.334058 (E_RNA) where: Base-Base interactions energy: -621.551 where: short stacking energy: -268.850 Base-Backbone interact. energy: -1.397 local terms energy: -271.385968 where: bonds (distance) C4'-P energy: -51.697 bonds (distance) P-C4' energy: -50.665 flat angles C4'-P-C4' energy: -58.843 flat angles P-C4'-P energy: -48.607 tors. eta vs tors. theta energy: -61.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1557.001402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.001402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.001402 (E_RNA) where: Base-Base interactions energy: -1120.946 where: short stacking energy: -439.179 Base-Backbone interact. energy: -1.723 local terms energy: -434.333173 where: bonds (distance) C4'-P energy: -74.858 bonds (distance) P-C4' energy: -80.083 flat angles C4'-P-C4' energy: -93.715 flat angles P-C4'-P energy: -63.938 tors. eta vs tors. theta energy: -121.739 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: 6 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1490.068148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.068148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.068148 (E_RNA) where: Base-Base interactions energy: -1073.937 where: short stacking energy: -402.770 Base-Backbone interact. energy: -0.969 local terms energy: -415.161811 where: bonds (distance) C4'-P energy: -79.969 bonds (distance) P-C4' energy: -73.452 flat angles C4'-P-C4' energy: -76.649 flat angles P-C4'-P energy: -67.153 tors. eta vs tors. theta energy: -117.939 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: 1 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1469.349611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.349611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.349611 (E_RNA) where: Base-Base interactions energy: -1065.789 where: short stacking energy: -411.282 Base-Backbone interact. energy: 1.212 local terms energy: -404.772575 where: bonds (distance) C4'-P energy: -71.113 bonds (distance) P-C4' energy: -77.363 flat angles C4'-P-C4' energy: -81.275 flat angles P-C4'-P energy: -58.483 tors. eta vs tors. theta energy: -116.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1407.612208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.612208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.612208 (E_RNA) where: Base-Base interactions energy: -1008.272 where: short stacking energy: -397.525 Base-Backbone interact. energy: 0.981 local terms energy: -400.321006 where: bonds (distance) C4'-P energy: -70.049 bonds (distance) P-C4' energy: -75.093 flat angles C4'-P-C4' energy: -79.055 flat angles P-C4'-P energy: -61.576 tors. eta vs tors. theta energy: -114.548 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: 5, replica: 7 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1347.164707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.164707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.164707 (E_RNA) where: Base-Base interactions energy: -981.572 where: short stacking energy: -378.544 Base-Backbone interact. energy: -1.571 local terms energy: -364.021170 where: bonds (distance) C4'-P energy: -60.186 bonds (distance) P-C4' energy: -66.265 flat angles C4'-P-C4' energy: -77.389 flat angles P-C4'-P energy: -52.057 tors. eta vs tors. theta energy: -108.124 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: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1279.294055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.294055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.294055 (E_RNA) where: Base-Base interactions energy: -914.270 where: short stacking energy: -368.515 Base-Backbone interact. energy: -0.891 local terms energy: -364.132951 where: bonds (distance) C4'-P energy: -63.594 bonds (distance) P-C4' energy: -59.496 flat angles C4'-P-C4' energy: -82.446 flat angles P-C4'-P energy: -52.785 tors. eta vs tors. theta energy: -105.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1218.056400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.056400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.056400 (E_RNA) where: Base-Base interactions energy: -879.680 where: short stacking energy: -339.400 Base-Backbone interact. energy: 0.471 local terms energy: -338.847749 where: bonds (distance) C4'-P energy: -64.013 bonds (distance) P-C4' energy: -59.351 flat angles C4'-P-C4' energy: -65.520 flat angles P-C4'-P energy: -49.094 tors. eta vs tors. theta energy: -100.870 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: 65 Temperature: 1.250000 Total energy: -1163.403208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.403208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.403208 (E_RNA) where: Base-Base interactions energy: -837.076 where: short stacking energy: -327.780 Base-Backbone interact. energy: -1.579 local terms energy: -324.748435 where: bonds (distance) C4'-P energy: -62.494 bonds (distance) P-C4' energy: -64.757 flat angles C4'-P-C4' energy: -66.115 flat angles P-C4'-P energy: -51.910 tors. eta vs tors. theta energy: -79.472 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: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1119.398676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.398676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.398676 (E_RNA) where: Base-Base interactions energy: -810.482 where: short stacking energy: -325.526 Base-Backbone interact. energy: -2.693 local terms energy: -306.224136 where: bonds (distance) C4'-P energy: -50.642 bonds (distance) P-C4' energy: -63.654 flat angles C4'-P-C4' energy: -59.924 flat angles P-C4'-P energy: -45.247 tors. eta vs tors. theta energy: -86.756 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: 4 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -915.297913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.297913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.297913 (E_RNA) where: Base-Base interactions energy: -628.571 where: short stacking energy: -248.252 Base-Backbone interact. energy: -0.715 local terms energy: -286.011182 where: bonds (distance) C4'-P energy: -56.247 bonds (distance) P-C4' energy: -52.776 flat angles C4'-P-C4' energy: -66.044 flat angles P-C4'-P energy: -52.097 tors. eta vs tors. theta energy: -58.848 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: 66 Temperature: 0.900000 Total energy: -1544.482716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.482716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.482716 (E_RNA) where: Base-Base interactions energy: -1126.948 where: short stacking energy: -435.159 Base-Backbone interact. energy: -0.267 local terms energy: -417.268199 where: bonds (distance) C4'-P energy: -63.288 bonds (distance) P-C4' energy: -78.616 flat angles C4'-P-C4' energy: -93.681 flat angles P-C4'-P energy: -66.104 tors. eta vs tors. theta energy: -115.579 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: 6 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1519.766267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.766267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.766267 (E_RNA) where: Base-Base interactions energy: -1113.159 where: short stacking energy: -423.478 Base-Backbone interact. energy: 0.711 local terms energy: -407.317484 where: bonds (distance) C4'-P energy: -70.291 bonds (distance) P-C4' energy: -73.323 flat angles C4'-P-C4' energy: -87.711 flat angles P-C4'-P energy: -60.726 tors. eta vs tors. theta energy: -115.267 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: 3, replica: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1460.835593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.835593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.835593 (E_RNA) where: Base-Base interactions energy: -1074.233 where: short stacking energy: -408.734 Base-Backbone interact. energy: -0.272 local terms energy: -386.330442 where: bonds (distance) C4'-P energy: -66.338 bonds (distance) P-C4' energy: -65.354 flat angles C4'-P-C4' energy: -84.062 flat angles P-C4'-P energy: -59.594 tors. eta vs tors. theta energy: -110.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1417.893571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.893571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.893571 (E_RNA) where: Base-Base interactions energy: -1016.162 where: short stacking energy: -382.741 Base-Backbone interact. energy: -1.211 local terms energy: -400.520000 where: bonds (distance) C4'-P energy: -74.060 bonds (distance) P-C4' energy: -68.345 flat angles C4'-P-C4' energy: -89.952 flat angles P-C4'-P energy: -57.236 tors. eta vs tors. theta energy: -110.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1362.238054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.238054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.238054 (E_RNA) where: Base-Base interactions energy: -992.125 where: short stacking energy: -373.897 Base-Backbone interact. energy: 0.505 local terms energy: -370.618442 where: bonds (distance) C4'-P energy: -62.622 bonds (distance) P-C4' energy: -57.617 flat angles C4'-P-C4' energy: -79.767 flat angles P-C4'-P energy: -60.995 tors. eta vs tors. theta energy: -109.617 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: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1256.668172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.668172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.668172 (E_RNA) where: Base-Base interactions energy: -891.529 where: short stacking energy: -358.109 Base-Backbone interact. energy: 1.286 local terms energy: -366.425502 where: bonds (distance) C4'-P energy: -73.497 bonds (distance) P-C4' energy: -66.489 flat angles C4'-P-C4' energy: -76.054 flat angles P-C4'-P energy: -52.315 tors. eta vs tors. theta energy: -98.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1183.837896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.837896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.837896 (E_RNA) where: Base-Base interactions energy: -843.078 where: short stacking energy: -333.349 Base-Backbone interact. energy: -0.199 local terms energy: -340.560860 where: bonds (distance) C4'-P energy: -64.250 bonds (distance) P-C4' energy: -67.828 flat angles C4'-P-C4' energy: -62.750 flat angles P-C4'-P energy: -47.259 tors. eta vs tors. theta energy: -98.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1142.461427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.461427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.461427 (E_RNA) where: Base-Base interactions energy: -807.356 where: short stacking energy: -314.563 Base-Backbone interact. energy: -1.488 local terms energy: -333.617050 where: bonds (distance) C4'-P energy: -57.874 bonds (distance) P-C4' energy: -62.355 flat angles C4'-P-C4' energy: -70.789 flat angles P-C4'-P energy: -55.005 tors. eta vs tors. theta energy: -87.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1153.523884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.523884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.523884 (E_RNA) where: Base-Base interactions energy: -809.930 where: short stacking energy: -329.913 Base-Backbone interact. energy: -1.178 local terms energy: -342.415947 where: bonds (distance) C4'-P energy: -59.220 bonds (distance) P-C4' energy: -63.678 flat angles C4'-P-C4' energy: -78.334 flat angles P-C4'-P energy: -55.565 tors. eta vs tors. theta energy: -85.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -955.281892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.281892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.281892 (E_RNA) where: Base-Base interactions energy: -654.335 where: short stacking energy: -263.638 Base-Backbone interact. energy: 0.316 local terms energy: -301.263105 where: bonds (distance) C4'-P energy: -45.527 bonds (distance) P-C4' energy: -69.936 flat angles C4'-P-C4' energy: -71.750 flat angles P-C4'-P energy: -39.757 tors. eta vs tors. theta energy: -74.294 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: 67 Temperature: 0.900000 Total energy: -1559.268925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.268925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.268925 (E_RNA) where: Base-Base interactions energy: -1137.812 where: short stacking energy: -447.503 Base-Backbone interact. energy: -1.297 local terms energy: -420.159554 where: bonds (distance) C4'-P energy: -65.383 bonds (distance) P-C4' energy: -71.344 flat angles C4'-P-C4' energy: -91.586 flat angles P-C4'-P energy: -70.052 tors. eta vs tors. theta energy: -121.795 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: 6 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1494.413558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.413558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.413558 (E_RNA) where: Base-Base interactions energy: -1100.722 where: short stacking energy: -413.944 Base-Backbone interact. energy: 2.177 local terms energy: -395.867781 where: bonds (distance) C4'-P energy: -71.802 bonds (distance) P-C4' energy: -72.008 flat angles C4'-P-C4' energy: -84.193 flat angles P-C4'-P energy: -58.065 tors. eta vs tors. theta energy: -109.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1455.448170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.448170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.448170 (E_RNA) where: Base-Base interactions energy: -1052.949 where: short stacking energy: -408.991 Base-Backbone interact. energy: -0.327 local terms energy: -402.171787 where: bonds (distance) C4'-P energy: -73.516 bonds (distance) P-C4' energy: -72.762 flat angles C4'-P-C4' energy: -85.058 flat angles P-C4'-P energy: -57.068 tors. eta vs tors. theta energy: -113.769 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: 4, replica: 2 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1420.063442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.063442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.063442 (E_RNA) where: Base-Base interactions energy: -1029.496 where: short stacking energy: -397.352 Base-Backbone interact. energy: -0.430 local terms energy: -390.137264 where: bonds (distance) C4'-P energy: -66.485 bonds (distance) P-C4' energy: -66.977 flat angles C4'-P-C4' energy: -78.051 flat angles P-C4'-P energy: -69.047 tors. eta vs tors. theta energy: -109.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1357.274261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.274261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.274261 (E_RNA) where: Base-Base interactions energy: -996.833 where: short stacking energy: -386.242 Base-Backbone interact. energy: -0.733 local terms energy: -359.707982 where: bonds (distance) C4'-P energy: -63.742 bonds (distance) P-C4' energy: -56.424 flat angles C4'-P-C4' energy: -84.292 flat angles P-C4'-P energy: -48.547 tors. eta vs tors. theta energy: -106.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1257.742396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.742396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.742396 (E_RNA) where: Base-Base interactions energy: -884.588 where: short stacking energy: -355.035 Base-Backbone interact. energy: -0.939 local terms energy: -372.215738 where: bonds (distance) C4'-P energy: -73.228 bonds (distance) P-C4' energy: -69.650 flat angles C4'-P-C4' energy: -79.862 flat angles P-C4'-P energy: -46.062 tors. eta vs tors. theta energy: -103.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1231.099231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.099231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.099231 (E_RNA) where: Base-Base interactions energy: -864.409 where: short stacking energy: -362.987 Base-Backbone interact. energy: 0.047 local terms energy: -366.737081 where: bonds (distance) C4'-P energy: -66.840 bonds (distance) P-C4' energy: -74.217 flat angles C4'-P-C4' energy: -71.196 flat angles P-C4'-P energy: -56.601 tors. eta vs tors. theta energy: -97.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1145.537923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.537923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.537923 (E_RNA) where: Base-Base interactions energy: -809.178 where: short stacking energy: -313.645 Base-Backbone interact. energy: -1.739 local terms energy: -334.621149 where: bonds (distance) C4'-P energy: -63.196 bonds (distance) P-C4' energy: -61.868 flat angles C4'-P-C4' energy: -75.773 flat angles P-C4'-P energy: -58.839 tors. eta vs tors. theta energy: -74.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1107.448057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.448057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.448057 (E_RNA) where: Base-Base interactions energy: -791.878 where: short stacking energy: -316.920 Base-Backbone interact. energy: 1.922 local terms energy: -317.491566 where: bonds (distance) C4'-P energy: -67.348 bonds (distance) P-C4' energy: -50.089 flat angles C4'-P-C4' energy: -66.195 flat angles P-C4'-P energy: -49.418 tors. eta vs tors. theta energy: -84.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1013.760402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.760402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.760402 (E_RNA) where: Base-Base interactions energy: -694.318 where: short stacking energy: -296.311 Base-Backbone interact. energy: -1.367 local terms energy: -318.075671 where: bonds (distance) C4'-P energy: -59.462 bonds (distance) P-C4' energy: -57.248 flat angles C4'-P-C4' energy: -72.859 flat angles P-C4'-P energy: -48.013 tors. eta vs tors. theta energy: -80.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1555.273977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.273977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.273977 (E_RNA) where: Base-Base interactions energy: -1125.289 where: short stacking energy: -419.095 Base-Backbone interact. energy: -2.119 local terms energy: -427.865856 where: bonds (distance) C4'-P energy: -78.028 bonds (distance) P-C4' energy: -74.782 flat angles C4'-P-C4' energy: -83.173 flat angles P-C4'-P energy: -70.221 tors. eta vs tors. theta energy: -121.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1516.203212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.203212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.203212 (E_RNA) where: Base-Base interactions energy: -1100.509 where: short stacking energy: -414.662 Base-Backbone interact. energy: -1.534 local terms energy: -414.161087 where: bonds (distance) C4'-P energy: -78.626 bonds (distance) P-C4' energy: -79.795 flat angles C4'-P-C4' energy: -76.021 flat angles P-C4'-P energy: -65.431 tors. eta vs tors. theta energy: -114.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1448.776433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.776433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.776433 (E_RNA) where: Base-Base interactions energy: -1043.483 where: short stacking energy: -412.137 Base-Backbone interact. energy: 0.149 local terms energy: -405.441792 where: bonds (distance) C4'-P energy: -72.062 bonds (distance) P-C4' energy: -80.241 flat angles C4'-P-C4' energy: -80.076 flat angles P-C4'-P energy: -59.364 tors. eta vs tors. theta energy: -113.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1433.466805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.466805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.466805 (E_RNA) where: Base-Base interactions energy: -1038.881 where: short stacking energy: -393.464 Base-Backbone interact. energy: -0.348 local terms energy: -394.237060 where: bonds (distance) C4'-P energy: -61.540 bonds (distance) P-C4' energy: -70.286 flat angles C4'-P-C4' energy: -84.735 flat angles P-C4'-P energy: -66.933 tors. eta vs tors. theta energy: -110.744 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: 7 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1385.251142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.251142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.251142 (E_RNA) where: Base-Base interactions energy: -1010.927 where: short stacking energy: -394.011 Base-Backbone interact. energy: -0.710 local terms energy: -373.614170 where: bonds (distance) C4'-P energy: -71.226 bonds (distance) P-C4' energy: -66.078 flat angles C4'-P-C4' energy: -78.344 flat angles P-C4'-P energy: -51.392 tors. eta vs tors. theta energy: -106.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1249.346500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.346500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.346500 (E_RNA) where: Base-Base interactions energy: -896.152 where: short stacking energy: -351.543 Base-Backbone interact. energy: -0.008 local terms energy: -353.185891 where: bonds (distance) C4'-P energy: -62.668 bonds (distance) P-C4' energy: -68.694 flat angles C4'-P-C4' energy: -80.607 flat angles P-C4'-P energy: -40.388 tors. eta vs tors. theta energy: -100.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1208.917373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.917373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.917373 (E_RNA) where: Base-Base interactions energy: -862.588 where: short stacking energy: -352.319 Base-Backbone interact. energy: -1.070 local terms energy: -345.259305 where: bonds (distance) C4'-P energy: -67.723 bonds (distance) P-C4' energy: -58.367 flat angles C4'-P-C4' energy: -70.448 flat angles P-C4'-P energy: -51.589 tors. eta vs tors. theta energy: -97.133 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: 3 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1161.598359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.598359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.598359 (E_RNA) where: Base-Base interactions energy: -846.658 where: short stacking energy: -325.601 Base-Backbone interact. energy: 0.233 local terms energy: -315.173464 where: bonds (distance) C4'-P energy: -60.777 bonds (distance) P-C4' energy: -54.694 flat angles C4'-P-C4' energy: -68.023 flat angles P-C4'-P energy: -41.778 tors. eta vs tors. theta energy: -89.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1127.952203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.952203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.952203 (E_RNA) where: Base-Base interactions energy: -801.283 where: short stacking energy: -320.598 Base-Backbone interact. energy: -0.543 local terms energy: -326.126393 where: bonds (distance) C4'-P energy: -65.940 bonds (distance) P-C4' energy: -60.997 flat angles C4'-P-C4' energy: -69.262 flat angles P-C4'-P energy: -38.841 tors. eta vs tors. theta energy: -91.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -982.308873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.308873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.308873 (E_RNA) where: Base-Base interactions energy: -668.765 where: short stacking energy: -266.204 Base-Backbone interact. energy: 0.300 local terms energy: -313.844673 where: bonds (distance) C4'-P energy: -67.506 bonds (distance) P-C4' energy: -75.186 flat angles C4'-P-C4' energy: -75.391 flat angles P-C4'-P energy: -31.857 tors. eta vs tors. theta energy: -63.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1564.712832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.712832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.712832 (E_RNA) where: Base-Base interactions energy: -1135.313 where: short stacking energy: -443.439 Base-Backbone interact. energy: -0.423 local terms energy: -428.976348 where: bonds (distance) C4'-P energy: -81.258 bonds (distance) P-C4' energy: -72.238 flat angles C4'-P-C4' energy: -87.608 flat angles P-C4'-P energy: -69.635 tors. eta vs tors. theta energy: -118.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1465.417567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.417567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.417567 (E_RNA) where: Base-Base interactions energy: -1053.964 where: short stacking energy: -410.101 Base-Backbone interact. energy: -0.701 local terms energy: -410.752764 where: bonds (distance) C4'-P energy: -74.881 bonds (distance) P-C4' energy: -71.860 flat angles C4'-P-C4' energy: -92.428 flat angles P-C4'-P energy: -59.186 tors. eta vs tors. theta energy: -112.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1496.338533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.338533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.338533 (E_RNA) where: Base-Base interactions energy: -1095.919 where: short stacking energy: -417.558 Base-Backbone interact. energy: -0.773 local terms energy: -399.646059 where: bonds (distance) C4'-P energy: -70.329 bonds (distance) P-C4' energy: -78.785 flat angles C4'-P-C4' energy: -82.655 flat angles P-C4'-P energy: -55.385 tors. eta vs tors. theta energy: -112.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1438.910899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.910899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.910899 (E_RNA) where: Base-Base interactions energy: -1041.881 where: short stacking energy: -404.334 Base-Backbone interact. energy: -1.079 local terms energy: -395.950979 where: bonds (distance) C4'-P energy: -69.474 bonds (distance) P-C4' energy: -83.893 flat angles C4'-P-C4' energy: -72.038 flat angles P-C4'-P energy: -56.006 tors. eta vs tors. theta energy: -114.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1379.966327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.966327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.966327 (E_RNA) where: Base-Base interactions energy: -1002.230 where: short stacking energy: -392.454 Base-Backbone interact. energy: -2.114 local terms energy: -375.621748 where: bonds (distance) C4'-P energy: -52.139 bonds (distance) P-C4' energy: -63.569 flat angles C4'-P-C4' energy: -85.277 flat angles P-C4'-P energy: -56.232 tors. eta vs tors. theta energy: -118.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1246.984372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.984372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.984372 (E_RNA) where: Base-Base interactions energy: -895.668 where: short stacking energy: -347.358 Base-Backbone interact. energy: -0.480 local terms energy: -350.835810 where: bonds (distance) C4'-P energy: -67.642 bonds (distance) P-C4' energy: -62.878 flat angles C4'-P-C4' energy: -72.036 flat angles P-C4'-P energy: -59.202 tors. eta vs tors. theta energy: -89.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1248.446166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.446166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.446166 (E_RNA) where: Base-Base interactions energy: -889.563 where: short stacking energy: -360.949 Base-Backbone interact. energy: 0.260 local terms energy: -359.143338 where: bonds (distance) C4'-P energy: -64.204 bonds (distance) P-C4' energy: -73.376 flat angles C4'-P-C4' energy: -78.672 flat angles P-C4'-P energy: -46.834 tors. eta vs tors. theta energy: -96.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1173.736141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.736141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.736141 (E_RNA) where: Base-Base interactions energy: -848.089 where: short stacking energy: -342.861 Base-Backbone interact. energy: -0.017 local terms energy: -325.630368 where: bonds (distance) C4'-P energy: -61.415 bonds (distance) P-C4' energy: -60.858 flat angles C4'-P-C4' energy: -70.483 flat angles P-C4'-P energy: -44.709 tors. eta vs tors. theta energy: -88.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1126.515365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.515365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.515365 (E_RNA) where: Base-Base interactions energy: -794.513 where: short stacking energy: -321.016 Base-Backbone interact. energy: -2.065 local terms energy: -329.937488 where: bonds (distance) C4'-P energy: -73.336 bonds (distance) P-C4' energy: -67.429 flat angles C4'-P-C4' energy: -63.548 flat angles P-C4'-P energy: -43.458 tors. eta vs tors. theta energy: -82.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -982.905419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.905419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.905419 (E_RNA) where: Base-Base interactions energy: -695.288 where: short stacking energy: -275.298 Base-Backbone interact. energy: -1.505 local terms energy: -286.113071 where: bonds (distance) C4'-P energy: -62.469 bonds (distance) P-C4' energy: -60.813 flat angles C4'-P-C4' energy: -63.886 flat angles P-C4'-P energy: -35.087 tors. eta vs tors. theta energy: -63.858 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: 5 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1554.236894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.236894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.236894 (E_RNA) where: Base-Base interactions energy: -1129.635 where: short stacking energy: -434.746 Base-Backbone interact. energy: -0.005 local terms energy: -424.597125 where: bonds (distance) C4'-P energy: -76.855 bonds (distance) P-C4' energy: -73.859 flat angles C4'-P-C4' energy: -92.724 flat angles P-C4'-P energy: -67.464 tors. eta vs tors. theta energy: -113.695 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: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1487.016075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.016075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.016075 (E_RNA) where: Base-Base interactions energy: -1071.574 where: short stacking energy: -416.301 Base-Backbone interact. energy: -2.541 local terms energy: -412.901093 where: bonds (distance) C4'-P energy: -71.799 bonds (distance) P-C4' energy: -73.828 flat angles C4'-P-C4' energy: -91.401 flat angles P-C4'-P energy: -56.981 tors. eta vs tors. theta energy: -118.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1477.199695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.199695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.199695 (E_RNA) where: Base-Base interactions energy: -1079.226 where: short stacking energy: -395.364 Base-Backbone interact. energy: -0.997 local terms energy: -396.977373 where: bonds (distance) C4'-P energy: -69.647 bonds (distance) P-C4' energy: -79.200 flat angles C4'-P-C4' energy: -83.200 flat angles P-C4'-P energy: -55.774 tors. eta vs tors. theta energy: -109.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1442.266260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.266260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.266260 (E_RNA) where: Base-Base interactions energy: -1035.761 where: short stacking energy: -395.705 Base-Backbone interact. energy: -1.131 local terms energy: -405.374832 where: bonds (distance) C4'-P energy: -67.357 bonds (distance) P-C4' energy: -70.023 flat angles C4'-P-C4' energy: -89.496 flat angles P-C4'-P energy: -62.923 tors. eta vs tors. theta energy: -115.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1385.920095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.920095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.920095 (E_RNA) where: Base-Base interactions energy: -1005.949 where: short stacking energy: -389.340 Base-Backbone interact. energy: 3.955 local terms energy: -383.926650 where: bonds (distance) C4'-P energy: -76.703 bonds (distance) P-C4' energy: -57.298 flat angles C4'-P-C4' energy: -82.975 flat angles P-C4'-P energy: -56.098 tors. eta vs tors. theta energy: -110.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1219.476059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.476059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.476059 (E_RNA) where: Base-Base interactions energy: -861.329 where: short stacking energy: -344.634 Base-Backbone interact. energy: 2.189 local terms energy: -360.336736 where: bonds (distance) C4'-P energy: -61.986 bonds (distance) P-C4' energy: -69.988 flat angles C4'-P-C4' energy: -84.059 flat angles P-C4'-P energy: -54.284 tors. eta vs tors. theta energy: -90.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1227.441770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.441770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.441770 (E_RNA) where: Base-Base interactions energy: -892.677 where: short stacking energy: -356.079 Base-Backbone interact. energy: 0.268 local terms energy: -335.032529 where: bonds (distance) C4'-P energy: -52.280 bonds (distance) P-C4' energy: -74.380 flat angles C4'-P-C4' energy: -61.179 flat angles P-C4'-P energy: -48.237 tors. eta vs tors. theta energy: -98.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1182.812070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.812070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.812070 (E_RNA) where: Base-Base interactions energy: -857.408 where: short stacking energy: -323.649 Base-Backbone interact. energy: -1.147 local terms energy: -324.256559 where: bonds (distance) C4'-P energy: -63.291 bonds (distance) P-C4' energy: -54.900 flat angles C4'-P-C4' energy: -77.298 flat angles P-C4'-P energy: -46.735 tors. eta vs tors. theta energy: -82.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1124.663863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.663863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.663863 (E_RNA) where: Base-Base interactions energy: -790.215 where: short stacking energy: -322.885 Base-Backbone interact. energy: -0.343 local terms energy: -334.106144 where: bonds (distance) C4'-P energy: -64.001 bonds (distance) P-C4' energy: -60.463 flat angles C4'-P-C4' energy: -68.402 flat angles P-C4'-P energy: -44.849 tors. eta vs tors. theta energy: -96.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -962.657155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.657155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.657155 (E_RNA) where: Base-Base interactions energy: -655.926 where: short stacking energy: -278.114 Base-Backbone interact. energy: 0.192 local terms energy: -306.922983 where: bonds (distance) C4'-P energy: -73.016 bonds (distance) P-C4' energy: -70.896 flat angles C4'-P-C4' energy: -57.521 flat angles P-C4'-P energy: -34.372 tors. eta vs tors. theta energy: -71.118 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: 5 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1536.124411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.124411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.124411 (E_RNA) where: Base-Base interactions energy: -1114.462 where: short stacking energy: -434.016 Base-Backbone interact. energy: -1.226 local terms energy: -420.436960 where: bonds (distance) C4'-P energy: -67.599 bonds (distance) P-C4' energy: -80.428 flat angles C4'-P-C4' energy: -89.351 flat angles P-C4'-P energy: -69.181 tors. eta vs tors. theta energy: -113.878 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: 6 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1500.151227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.151227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.151227 (E_RNA) where: Base-Base interactions energy: -1078.162 where: short stacking energy: -407.652 Base-Backbone interact. energy: -1.533 local terms energy: -420.456471 where: bonds (distance) C4'-P energy: -80.496 bonds (distance) P-C4' energy: -81.755 flat angles C4'-P-C4' energy: -83.187 flat angles P-C4'-P energy: -67.361 tors. eta vs tors. theta energy: -107.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1438.122462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.122462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.122462 (E_RNA) where: Base-Base interactions energy: -1025.823 where: short stacking energy: -395.820 Base-Backbone interact. energy: -0.940 local terms energy: -411.359436 where: bonds (distance) C4'-P energy: -72.693 bonds (distance) P-C4' energy: -74.472 flat angles C4'-P-C4' energy: -85.536 flat angles P-C4'-P energy: -64.472 tors. eta vs tors. theta energy: -114.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1457.568589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.568589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.568589 (E_RNA) where: Base-Base interactions energy: -1059.071 where: short stacking energy: -399.951 Base-Backbone interact. energy: -0.395 local terms energy: -398.102982 where: bonds (distance) C4'-P energy: -54.287 bonds (distance) P-C4' energy: -73.520 flat angles C4'-P-C4' energy: -90.274 flat angles P-C4'-P energy: -63.709 tors. eta vs tors. theta energy: -116.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1389.082079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.082079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.082079 (E_RNA) where: Base-Base interactions energy: -1006.105 where: short stacking energy: -384.482 Base-Backbone interact. energy: -0.785 local terms energy: -382.191689 where: bonds (distance) C4'-P energy: -64.229 bonds (distance) P-C4' energy: -74.223 flat angles C4'-P-C4' energy: -79.773 flat angles P-C4'-P energy: -54.678 tors. eta vs tors. theta energy: -109.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1248.528010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.528010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.528010 (E_RNA) where: Base-Base interactions energy: -903.201 where: short stacking energy: -356.232 Base-Backbone interact. energy: -0.056 local terms energy: -345.271271 where: bonds (distance) C4'-P energy: -46.493 bonds (distance) P-C4' energy: -67.985 flat angles C4'-P-C4' energy: -80.819 flat angles P-C4'-P energy: -48.297 tors. eta vs tors. theta energy: -101.678 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: 71 Temperature: 1.200000 Total energy: -1234.535492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.535492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.535492 (E_RNA) where: Base-Base interactions energy: -877.915 where: short stacking energy: -353.046 Base-Backbone interact. energy: -1.937 local terms energy: -354.683998 where: bonds (distance) C4'-P energy: -58.292 bonds (distance) P-C4' energy: -64.891 flat angles C4'-P-C4' energy: -76.067 flat angles P-C4'-P energy: -55.778 tors. eta vs tors. theta energy: -99.656 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: 8, replica: 3 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1144.873415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.873415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.873415 (E_RNA) where: Base-Base interactions energy: -835.029 where: short stacking energy: -335.688 Base-Backbone interact. energy: 0.271 local terms energy: -310.115839 where: bonds (distance) C4'-P energy: -44.521 bonds (distance) P-C4' energy: -64.580 flat angles C4'-P-C4' energy: -71.790 flat angles P-C4'-P energy: -46.244 tors. eta vs tors. theta energy: -82.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1154.839459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.839459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.839459 (E_RNA) where: Base-Base interactions energy: -797.457 where: short stacking energy: -332.995 Base-Backbone interact. energy: 0.997 local terms energy: -358.379212 where: bonds (distance) C4'-P energy: -63.417 bonds (distance) P-C4' energy: -65.664 flat angles C4'-P-C4' energy: -85.671 flat angles P-C4'-P energy: -50.870 tors. eta vs tors. theta energy: -92.756 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: 4 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -988.225060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.225060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.225060 (E_RNA) where: Base-Base interactions energy: -687.031 where: short stacking energy: -273.630 Base-Backbone interact. energy: 5.963 local terms energy: -307.157565 where: bonds (distance) C4'-P energy: -71.819 bonds (distance) P-C4' energy: -66.415 flat angles C4'-P-C4' energy: -72.071 flat angles P-C4'-P energy: -31.901 tors. eta vs tors. theta energy: -64.952 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: 1, replica: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1542.863287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.863287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.863287 (E_RNA) where: Base-Base interactions energy: -1118.841 where: short stacking energy: -434.103 Base-Backbone interact. energy: 0.213 local terms energy: -424.235610 where: bonds (distance) C4'-P energy: -76.257 bonds (distance) P-C4' energy: -67.044 flat angles C4'-P-C4' energy: -93.897 flat angles P-C4'-P energy: -62.547 tors. eta vs tors. theta energy: -124.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1529.937016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.937016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.937016 (E_RNA) where: Base-Base interactions energy: -1102.865 where: short stacking energy: -429.509 Base-Backbone interact. energy: -2.077 local terms energy: -424.995115 where: bonds (distance) C4'-P energy: -83.162 bonds (distance) P-C4' energy: -73.895 flat angles C4'-P-C4' energy: -88.229 flat angles P-C4'-P energy: -62.556 tors. eta vs tors. theta energy: -117.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1480.276495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.276495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.276495 (E_RNA) where: Base-Base interactions energy: -1072.022 where: short stacking energy: -433.522 Base-Backbone interact. energy: 0.703 local terms energy: -408.956994 where: bonds (distance) C4'-P energy: -68.954 bonds (distance) P-C4' energy: -77.805 flat angles C4'-P-C4' energy: -82.509 flat angles P-C4'-P energy: -52.416 tors. eta vs tors. theta energy: -127.273 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: 2 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1424.901250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.901250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.901250 (E_RNA) where: Base-Base interactions energy: -1031.030 where: short stacking energy: -404.133 Base-Backbone interact. energy: -0.883 local terms energy: -392.988049 where: bonds (distance) C4'-P energy: -65.216 bonds (distance) P-C4' energy: -69.627 flat angles C4'-P-C4' energy: -87.450 flat angles P-C4'-P energy: -63.323 tors. eta vs tors. theta energy: -107.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1405.064317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.064317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.064317 (E_RNA) where: Base-Base interactions energy: -1010.628 where: short stacking energy: -382.296 Base-Backbone interact. energy: 0.640 local terms energy: -395.076717 where: bonds (distance) C4'-P energy: -75.727 bonds (distance) P-C4' energy: -75.281 flat angles C4'-P-C4' energy: -73.696 flat angles P-C4'-P energy: -66.598 tors. eta vs tors. theta energy: -103.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1278.097003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.097003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.097003 (E_RNA) where: Base-Base interactions energy: -916.800 where: short stacking energy: -355.918 Base-Backbone interact. energy: -1.155 local terms energy: -360.141541 where: bonds (distance) C4'-P energy: -73.669 bonds (distance) P-C4' energy: -51.612 flat angles C4'-P-C4' energy: -76.102 flat angles P-C4'-P energy: -57.438 tors. eta vs tors. theta energy: -101.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1204.965308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.965308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.965308 (E_RNA) where: Base-Base interactions energy: -865.158 where: short stacking energy: -349.043 Base-Backbone interact. energy: -1.735 local terms energy: -338.071801 where: bonds (distance) C4'-P energy: -58.398 bonds (distance) P-C4' energy: -62.591 flat angles C4'-P-C4' energy: -77.798 flat angles P-C4'-P energy: -49.922 tors. eta vs tors. theta energy: -89.363 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: 3 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1117.751452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.751452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.751452 (E_RNA) where: Base-Base interactions energy: -810.291 where: short stacking energy: -311.716 Base-Backbone interact. energy: -0.003 local terms energy: -307.457190 where: bonds (distance) C4'-P energy: -57.602 bonds (distance) P-C4' energy: -43.007 flat angles C4'-P-C4' energy: -76.179 flat angles P-C4'-P energy: -49.459 tors. eta vs tors. theta energy: -81.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1176.891111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.891111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.891111 (E_RNA) where: Base-Base interactions energy: -847.719 where: short stacking energy: -346.831 Base-Backbone interact. energy: -0.015 local terms energy: -329.156145 where: bonds (distance) C4'-P energy: -56.342 bonds (distance) P-C4' energy: -44.352 flat angles C4'-P-C4' energy: -77.731 flat angles P-C4'-P energy: -53.409 tors. eta vs tors. theta energy: -97.322 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: 4 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -970.909329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.909329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.909329 (E_RNA) where: Base-Base interactions energy: -654.466 where: short stacking energy: -262.786 Base-Backbone interact. energy: -0.072 local terms energy: -316.371519 where: bonds (distance) C4'-P energy: -62.003 bonds (distance) P-C4' energy: -74.023 flat angles C4'-P-C4' energy: -68.065 flat angles P-C4'-P energy: -49.540 tors. eta vs tors. theta energy: -62.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1549.066338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.066338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.066338 (E_RNA) where: Base-Base interactions energy: -1117.886 where: short stacking energy: -431.635 Base-Backbone interact. energy: -0.987 local terms energy: -430.192679 where: bonds (distance) C4'-P energy: -79.075 bonds (distance) P-C4' energy: -73.439 flat angles C4'-P-C4' energy: -96.270 flat angles P-C4'-P energy: -58.048 tors. eta vs tors. theta energy: -123.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1508.920614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.920614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.920614 (E_RNA) where: Base-Base interactions energy: -1102.605 where: short stacking energy: -426.995 Base-Backbone interact. energy: -2.105 local terms energy: -404.210929 where: bonds (distance) C4'-P energy: -77.819 bonds (distance) P-C4' energy: -66.438 flat angles C4'-P-C4' energy: -85.342 flat angles P-C4'-P energy: -54.996 tors. eta vs tors. theta energy: -119.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1474.850801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.850801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.850801 (E_RNA) where: Base-Base interactions energy: -1068.329 where: short stacking energy: -424.097 Base-Backbone interact. energy: -0.829 local terms energy: -405.692403 where: bonds (distance) C4'-P energy: -68.995 bonds (distance) P-C4' energy: -74.039 flat angles C4'-P-C4' energy: -91.656 flat angles P-C4'-P energy: -53.896 tors. eta vs tors. theta energy: -117.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1412.100870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.100870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.100870 (E_RNA) where: Base-Base interactions energy: -1027.160 where: short stacking energy: -396.365 Base-Backbone interact. energy: 0.248 local terms energy: -385.188939 where: bonds (distance) C4'-P energy: -60.443 bonds (distance) P-C4' energy: -70.263 flat angles C4'-P-C4' energy: -85.041 flat angles P-C4'-P energy: -51.741 tors. eta vs tors. theta energy: -117.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1380.977995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.977995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.977995 (E_RNA) where: Base-Base interactions energy: -1016.667 where: short stacking energy: -387.476 Base-Backbone interact. energy: 3.205 local terms energy: -367.516183 where: bonds (distance) C4'-P energy: -61.832 bonds (distance) P-C4' energy: -63.380 flat angles C4'-P-C4' energy: -74.082 flat angles P-C4'-P energy: -61.369 tors. eta vs tors. theta energy: -106.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1255.626443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.626443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.626443 (E_RNA) where: Base-Base interactions energy: -881.244 where: short stacking energy: -344.177 Base-Backbone interact. energy: -0.089 local terms energy: -374.293680 where: bonds (distance) C4'-P energy: -66.291 bonds (distance) P-C4' energy: -78.735 flat angles C4'-P-C4' energy: -81.745 flat angles P-C4'-P energy: -55.121 tors. eta vs tors. theta energy: -92.402 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: 7, replica: 10 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1208.135298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.135298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.135298 (E_RNA) where: Base-Base interactions energy: -853.069 where: short stacking energy: -338.684 Base-Backbone interact. energy: -3.247 local terms energy: -351.819063 where: bonds (distance) C4'-P energy: -64.883 bonds (distance) P-C4' energy: -69.149 flat angles C4'-P-C4' energy: -70.856 flat angles P-C4'-P energy: -50.985 tors. eta vs tors. theta energy: -95.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1187.742782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.742782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.742782 (E_RNA) where: Base-Base interactions energy: -853.466 where: short stacking energy: -351.429 Base-Backbone interact. energy: 0.261 local terms energy: -334.538407 where: bonds (distance) C4'-P energy: -66.470 bonds (distance) P-C4' energy: -50.279 flat angles C4'-P-C4' energy: -73.486 flat angles P-C4'-P energy: -53.575 tors. eta vs tors. theta energy: -90.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1090.708617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.708617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.708617 (E_RNA) where: Base-Base interactions energy: -758.144 where: short stacking energy: -305.029 Base-Backbone interact. energy: -1.438 local terms energy: -331.126746 where: bonds (distance) C4'-P energy: -54.163 bonds (distance) P-C4' energy: -65.513 flat angles C4'-P-C4' energy: -79.204 flat angles P-C4'-P energy: -48.825 tors. eta vs tors. theta energy: -83.422 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: 4 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -902.953412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.953412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.953412 (E_RNA) where: Base-Base interactions energy: -618.121 where: short stacking energy: -253.319 Base-Backbone interact. energy: -2.642 local terms energy: -282.190087 where: bonds (distance) C4'-P energy: -59.877 bonds (distance) P-C4' energy: -68.354 flat angles C4'-P-C4' energy: -59.902 flat angles P-C4'-P energy: -44.174 tors. eta vs tors. theta energy: -49.883 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: 1, replica: 5 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1542.587132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.587132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.587132 (E_RNA) where: Base-Base interactions energy: -1121.750 where: short stacking energy: -434.519 Base-Backbone interact. energy: -0.770 local terms energy: -420.067413 where: bonds (distance) C4'-P energy: -68.980 bonds (distance) P-C4' energy: -79.312 flat angles C4'-P-C4' energy: -92.262 flat angles P-C4'-P energy: -58.938 tors. eta vs tors. theta energy: -120.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1504.837258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.837258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.837258 (E_RNA) where: Base-Base interactions energy: -1090.284 where: short stacking energy: -420.362 Base-Backbone interact. energy: -2.329 local terms energy: -412.224134 where: bonds (distance) C4'-P energy: -81.132 bonds (distance) P-C4' energy: -70.564 flat angles C4'-P-C4' energy: -80.153 flat angles P-C4'-P energy: -62.921 tors. eta vs tors. theta energy: -117.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1485.951384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.951384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.951384 (E_RNA) where: Base-Base interactions energy: -1085.050 where: short stacking energy: -430.548 Base-Backbone interact. energy: -0.804 local terms energy: -400.098057 where: bonds (distance) C4'-P energy: -73.392 bonds (distance) P-C4' energy: -65.653 flat angles C4'-P-C4' energy: -91.535 flat angles P-C4'-P energy: -49.359 tors. eta vs tors. theta energy: -120.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1420.114934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.114934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.114934 (E_RNA) where: Base-Base interactions energy: -1028.044 where: short stacking energy: -392.353 Base-Backbone interact. energy: -0.669 local terms energy: -391.402379 where: bonds (distance) C4'-P energy: -67.438 bonds (distance) P-C4' energy: -68.656 flat angles C4'-P-C4' energy: -80.325 flat angles P-C4'-P energy: -64.457 tors. eta vs tors. theta energy: -110.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1404.183627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.183627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.183627 (E_RNA) where: Base-Base interactions energy: -999.125 where: short stacking energy: -380.349 Base-Backbone interact. energy: -0.825 local terms energy: -404.232986 where: bonds (distance) C4'-P energy: -74.588 bonds (distance) P-C4' energy: -85.232 flat angles C4'-P-C4' energy: -83.387 flat angles P-C4'-P energy: -52.012 tors. eta vs tors. theta energy: -109.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1262.404150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.404150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.404150 (E_RNA) where: Base-Base interactions energy: -903.348 where: short stacking energy: -369.952 Base-Backbone interact. energy: -0.395 local terms energy: -358.660756 where: bonds (distance) C4'-P energy: -65.777 bonds (distance) P-C4' energy: -73.141 flat angles C4'-P-C4' energy: -74.569 flat angles P-C4'-P energy: -43.855 tors. eta vs tors. theta energy: -101.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1255.681497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.681497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.681497 (E_RNA) where: Base-Base interactions energy: -906.560 where: short stacking energy: -357.317 Base-Backbone interact. energy: -0.403 local terms energy: -348.718364 where: bonds (distance) C4'-P energy: -58.494 bonds (distance) P-C4' energy: -64.370 flat angles C4'-P-C4' energy: -74.828 flat angles P-C4'-P energy: -42.406 tors. eta vs tors. theta energy: -108.619 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: 8, replica: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1224.271292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.271292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.271292 (E_RNA) where: Base-Base interactions energy: -882.394 where: short stacking energy: -343.874 Base-Backbone interact. energy: 0.874 local terms energy: -342.751171 where: bonds (distance) C4'-P energy: -51.746 bonds (distance) P-C4' energy: -61.855 flat angles C4'-P-C4' energy: -76.592 flat angles P-C4'-P energy: -59.115 tors. eta vs tors. theta energy: -93.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1106.988373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.988373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.988373 (E_RNA) where: Base-Base interactions energy: -768.909 where: short stacking energy: -308.555 Base-Backbone interact. energy: -0.757 local terms energy: -337.322666 where: bonds (distance) C4'-P energy: -61.993 bonds (distance) P-C4' energy: -68.423 flat angles C4'-P-C4' energy: -73.377 flat angles P-C4'-P energy: -48.843 tors. eta vs tors. theta energy: -84.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -880.247591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.247591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.247591 (E_RNA) where: Base-Base interactions energy: -595.349 where: short stacking energy: -252.428 Base-Backbone interact. energy: 2.235 local terms energy: -287.133993 where: bonds (distance) C4'-P energy: -64.328 bonds (distance) P-C4' energy: -64.050 flat angles C4'-P-C4' energy: -53.657 flat angles P-C4'-P energy: -39.931 tors. eta vs tors. theta energy: -65.168 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: 1, replica: 5 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1554.281835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.281835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.281835 (E_RNA) where: Base-Base interactions energy: -1131.241 where: short stacking energy: -433.167 Base-Backbone interact. energy: -1.506 local terms energy: -421.534798 where: bonds (distance) C4'-P energy: -80.883 bonds (distance) P-C4' energy: -72.644 flat angles C4'-P-C4' energy: -85.557 flat angles P-C4'-P energy: -60.915 tors. eta vs tors. theta energy: -121.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1510.575666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.575666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.575666 (E_RNA) where: Base-Base interactions energy: -1093.157 where: short stacking energy: -417.565 Base-Backbone interact. energy: -1.785 local terms energy: -415.633530 where: bonds (distance) C4'-P energy: -74.582 bonds (distance) P-C4' energy: -77.815 flat angles C4'-P-C4' energy: -83.467 flat angles P-C4'-P energy: -59.715 tors. eta vs tors. theta energy: -120.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1504.089475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.089475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.089475 (E_RNA) where: Base-Base interactions energy: -1072.378 where: short stacking energy: -432.900 Base-Backbone interact. energy: -2.034 local terms energy: -429.677584 where: bonds (distance) C4'-P energy: -78.626 bonds (distance) P-C4' energy: -67.763 flat angles C4'-P-C4' energy: -94.778 flat angles P-C4'-P energy: -63.601 tors. eta vs tors. theta energy: -124.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1403.419743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.419743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.419743 (E_RNA) where: Base-Base interactions energy: -1018.079 where: short stacking energy: -383.842 Base-Backbone interact. energy: -0.526 local terms energy: -384.815473 where: bonds (distance) C4'-P energy: -74.355 bonds (distance) P-C4' energy: -70.318 flat angles C4'-P-C4' energy: -78.477 flat angles P-C4'-P energy: -49.716 tors. eta vs tors. theta energy: -111.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1401.332288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.332288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.332288 (E_RNA) where: Base-Base interactions energy: -1030.470 where: short stacking energy: -398.563 Base-Backbone interact. energy: 2.050 local terms energy: -372.912618 where: bonds (distance) C4'-P energy: -48.054 bonds (distance) P-C4' energy: -73.790 flat angles C4'-P-C4' energy: -80.523 flat angles P-C4'-P energy: -60.786 tors. eta vs tors. theta energy: -109.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1246.097017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.097017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.097017 (E_RNA) where: Base-Base interactions energy: -885.910 where: short stacking energy: -349.865 Base-Backbone interact. energy: -1.204 local terms energy: -358.982792 where: bonds (distance) C4'-P energy: -69.500 bonds (distance) P-C4' energy: -66.888 flat angles C4'-P-C4' energy: -80.394 flat angles P-C4'-P energy: -47.318 tors. eta vs tors. theta energy: -94.883 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: 10 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1236.958280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.958280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.958280 (E_RNA) where: Base-Base interactions energy: -869.155 where: short stacking energy: -351.940 Base-Backbone interact. energy: -1.777 local terms energy: -366.026928 where: bonds (distance) C4'-P energy: -56.135 bonds (distance) P-C4' energy: -62.702 flat angles C4'-P-C4' energy: -82.556 flat angles P-C4'-P energy: -63.183 tors. eta vs tors. theta energy: -101.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1226.353127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.353127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.353127 (E_RNA) where: Base-Base interactions energy: -876.052 where: short stacking energy: -339.294 Base-Backbone interact. energy: 0.518 local terms energy: -350.819539 where: bonds (distance) C4'-P energy: -61.854 bonds (distance) P-C4' energy: -70.168 flat angles C4'-P-C4' energy: -71.672 flat angles P-C4'-P energy: -50.643 tors. eta vs tors. theta energy: -96.484 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: 3 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1157.435422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.435422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.435422 (E_RNA) where: Base-Base interactions energy: -821.407 where: short stacking energy: -324.482 Base-Backbone interact. energy: -0.702 local terms energy: -335.326294 where: bonds (distance) C4'-P energy: -57.494 bonds (distance) P-C4' energy: -76.799 flat angles C4'-P-C4' energy: -72.515 flat angles P-C4'-P energy: -44.294 tors. eta vs tors. theta energy: -84.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -957.818631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.818631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.818631 (E_RNA) where: Base-Base interactions energy: -658.559 where: short stacking energy: -263.641 Base-Backbone interact. energy: 1.057 local terms energy: -300.316712 where: bonds (distance) C4'-P energy: -68.707 bonds (distance) P-C4' energy: -57.771 flat angles C4'-P-C4' energy: -69.627 flat angles P-C4'-P energy: -35.355 tors. eta vs tors. theta energy: -68.856 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: 1, replica: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1544.493178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.493178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.493178 (E_RNA) where: Base-Base interactions energy: -1126.619 where: short stacking energy: -426.758 Base-Backbone interact. energy: -0.466 local terms energy: -417.408534 where: bonds (distance) C4'-P energy: -76.533 bonds (distance) P-C4' energy: -68.089 flat angles C4'-P-C4' energy: -88.060 flat angles P-C4'-P energy: -63.484 tors. eta vs tors. theta energy: -121.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1496.077361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.077361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.077361 (E_RNA) where: Base-Base interactions energy: -1108.778 where: short stacking energy: -420.651 Base-Backbone interact. energy: -0.081 local terms energy: -387.218307 where: bonds (distance) C4'-P energy: -60.835 bonds (distance) P-C4' energy: -70.938 flat angles C4'-P-C4' energy: -84.480 flat angles P-C4'-P energy: -59.643 tors. eta vs tors. theta energy: -111.323 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: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1508.735207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.735207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.735207 (E_RNA) where: Base-Base interactions energy: -1088.406 where: short stacking energy: -425.854 Base-Backbone interact. energy: -0.195 local terms energy: -420.133439 where: bonds (distance) C4'-P energy: -71.206 bonds (distance) P-C4' energy: -70.517 flat angles C4'-P-C4' energy: -89.793 flat angles P-C4'-P energy: -65.778 tors. eta vs tors. theta energy: -122.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1414.466343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.466343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.466343 (E_RNA) where: Base-Base interactions energy: -1027.825 where: short stacking energy: -406.030 Base-Backbone interact. energy: 0.907 local terms energy: -387.547755 where: bonds (distance) C4'-P energy: -73.375 bonds (distance) P-C4' energy: -68.826 flat angles C4'-P-C4' energy: -89.330 flat angles P-C4'-P energy: -49.683 tors. eta vs tors. theta energy: -106.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1391.693534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.693534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.693534 (E_RNA) where: Base-Base interactions energy: -999.225 where: short stacking energy: -382.052 Base-Backbone interact. energy: -0.011 local terms energy: -392.458096 where: bonds (distance) C4'-P energy: -71.229 bonds (distance) P-C4' energy: -68.112 flat angles C4'-P-C4' energy: -83.747 flat angles P-C4'-P energy: -55.843 tors. eta vs tors. theta energy: -113.527 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: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1243.051652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.051652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.051652 (E_RNA) where: Base-Base interactions energy: -889.769 where: short stacking energy: -340.298 Base-Backbone interact. energy: 1.734 local terms energy: -355.016832 where: bonds (distance) C4'-P energy: -65.051 bonds (distance) P-C4' energy: -66.634 flat angles C4'-P-C4' energy: -89.780 flat angles P-C4'-P energy: -39.102 tors. eta vs tors. theta energy: -94.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1263.258076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.258076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.258076 (E_RNA) where: Base-Base interactions energy: -903.639 where: short stacking energy: -350.948 Base-Backbone interact. energy: -1.040 local terms energy: -358.579704 where: bonds (distance) C4'-P energy: -67.119 bonds (distance) P-C4' energy: -66.942 flat angles C4'-P-C4' energy: -70.883 flat angles P-C4'-P energy: -54.372 tors. eta vs tors. theta energy: -99.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1223.958185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.958185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.958185 (E_RNA) where: Base-Base interactions energy: -886.721 where: short stacking energy: -343.537 Base-Backbone interact. energy: -1.377 local terms energy: -335.860172 where: bonds (distance) C4'-P energy: -46.722 bonds (distance) P-C4' energy: -67.269 flat angles C4'-P-C4' energy: -70.993 flat angles P-C4'-P energy: -50.728 tors. eta vs tors. theta energy: -100.148 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: 3 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1203.884459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.884459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.884459 (E_RNA) where: Base-Base interactions energy: -866.108 where: short stacking energy: -338.700 Base-Backbone interact. energy: 1.324 local terms energy: -339.100332 where: bonds (distance) C4'-P energy: -66.659 bonds (distance) P-C4' energy: -70.857 flat angles C4'-P-C4' energy: -72.006 flat angles P-C4'-P energy: -43.931 tors. eta vs tors. theta energy: -85.647 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: 76 Temperature: 1.350000 Total energy: -994.258968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.258968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.258968 (E_RNA) where: Base-Base interactions energy: -702.812 where: short stacking energy: -293.392 Base-Backbone interact. energy: -0.809 local terms energy: -290.637258 where: bonds (distance) C4'-P energy: -62.961 bonds (distance) P-C4' energy: -50.274 flat angles C4'-P-C4' energy: -62.042 flat angles P-C4'-P energy: -38.539 tors. eta vs tors. theta energy: -76.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1552.594309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.594309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.594309 (E_RNA) where: Base-Base interactions energy: -1129.589 where: short stacking energy: -436.217 Base-Backbone interact. energy: -1.143 local terms energy: -421.862299 where: bonds (distance) C4'-P energy: -65.200 bonds (distance) P-C4' energy: -73.032 flat angles C4'-P-C4' energy: -93.951 flat angles P-C4'-P energy: -66.477 tors. eta vs tors. theta energy: -123.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1514.736824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.736824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.736824 (E_RNA) where: Base-Base interactions energy: -1093.449 where: short stacking energy: -406.626 Base-Backbone interact. energy: -0.083 local terms energy: -421.204720 where: bonds (distance) C4'-P energy: -77.747 bonds (distance) P-C4' energy: -74.835 flat angles C4'-P-C4' energy: -83.396 flat angles P-C4'-P energy: -65.324 tors. eta vs tors. theta energy: -119.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1474.879361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.879361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.879361 (E_RNA) where: Base-Base interactions energy: -1087.930 where: short stacking energy: -416.728 Base-Backbone interact. energy: -0.526 local terms energy: -386.423035 where: bonds (distance) C4'-P energy: -62.617 bonds (distance) P-C4' energy: -69.119 flat angles C4'-P-C4' energy: -82.145 flat angles P-C4'-P energy: -54.111 tors. eta vs tors. theta energy: -118.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1388.175040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.175040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.175040 (E_RNA) where: Base-Base interactions energy: -1015.684 where: short stacking energy: -384.161 Base-Backbone interact. energy: -1.002 local terms energy: -371.489107 where: bonds (distance) C4'-P energy: -72.646 bonds (distance) P-C4' energy: -71.366 flat angles C4'-P-C4' energy: -75.414 flat angles P-C4'-P energy: -51.318 tors. eta vs tors. theta energy: -100.746 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: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1396.162023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.162023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.162023 (E_RNA) where: Base-Base interactions energy: -994.257 where: short stacking energy: -396.106 Base-Backbone interact. energy: -1.153 local terms energy: -400.752675 where: bonds (distance) C4'-P energy: -68.708 bonds (distance) P-C4' energy: -69.517 flat angles C4'-P-C4' energy: -83.399 flat angles P-C4'-P energy: -63.697 tors. eta vs tors. theta energy: -115.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1301.684223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.684223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.684223 (E_RNA) where: Base-Base interactions energy: -932.734 where: short stacking energy: -381.510 Base-Backbone interact. energy: -0.132 local terms energy: -368.818476 where: bonds (distance) C4'-P energy: -60.124 bonds (distance) P-C4' energy: -57.063 flat angles C4'-P-C4' energy: -84.949 flat angles P-C4'-P energy: -54.877 tors. eta vs tors. theta energy: -111.805 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: 8 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1209.569202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.569202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.569202 (E_RNA) where: Base-Base interactions energy: -875.804 where: short stacking energy: -350.225 Base-Backbone interact. energy: -0.441 local terms energy: -333.324276 where: bonds (distance) C4'-P energy: -61.158 bonds (distance) P-C4' energy: -57.985 flat angles C4'-P-C4' energy: -74.549 flat angles P-C4'-P energy: -42.329 tors. eta vs tors. theta energy: -97.304 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: 77 Temperature: 1.250000 Total energy: -1230.528906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.528906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.528906 (E_RNA) where: Base-Base interactions energy: -879.084 where: short stacking energy: -350.442 Base-Backbone interact. energy: -0.250 local terms energy: -351.194713 where: bonds (distance) C4'-P energy: -50.668 bonds (distance) P-C4' energy: -65.577 flat angles C4'-P-C4' energy: -69.919 flat angles P-C4'-P energy: -62.754 tors. eta vs tors. theta energy: -102.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1159.315360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.315360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.315360 (E_RNA) where: Base-Base interactions energy: -820.926 where: short stacking energy: -304.486 Base-Backbone interact. energy: -0.237 local terms energy: -338.152711 where: bonds (distance) C4'-P energy: -64.294 bonds (distance) P-C4' energy: -70.520 flat angles C4'-P-C4' energy: -64.426 flat angles P-C4'-P energy: -51.923 tors. eta vs tors. theta energy: -86.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -950.728318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.728318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.728318 (E_RNA) where: Base-Base interactions energy: -639.880 where: short stacking energy: -268.703 Base-Backbone interact. energy: 1.002 local terms energy: -311.850504 where: bonds (distance) C4'-P energy: -59.289 bonds (distance) P-C4' energy: -69.999 flat angles C4'-P-C4' energy: -72.024 flat angles P-C4'-P energy: -50.718 tors. eta vs tors. theta energy: -59.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1556.320961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.320961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.320961 (E_RNA) where: Base-Base interactions energy: -1141.604 where: short stacking energy: -437.217 Base-Backbone interact. energy: -1.002 local terms energy: -413.715546 where: bonds (distance) C4'-P energy: -73.116 bonds (distance) P-C4' energy: -74.440 flat angles C4'-P-C4' energy: -76.826 flat angles P-C4'-P energy: -69.411 tors. eta vs tors. theta energy: -119.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1506.030247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.030247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.030247 (E_RNA) where: Base-Base interactions energy: -1100.084 where: short stacking energy: -420.841 Base-Backbone interact. energy: -1.215 local terms energy: -404.730941 where: bonds (distance) C4'-P energy: -74.690 bonds (distance) P-C4' energy: -68.833 flat angles C4'-P-C4' energy: -86.250 flat angles P-C4'-P energy: -56.700 tors. eta vs tors. theta energy: -118.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1417.680239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.680239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.680239 (E_RNA) where: Base-Base interactions energy: -1002.995 where: short stacking energy: -403.764 Base-Backbone interact. energy: -0.986 local terms energy: -413.699172 where: bonds (distance) C4'-P energy: -75.454 bonds (distance) P-C4' energy: -83.659 flat angles C4'-P-C4' energy: -76.107 flat angles P-C4'-P energy: -66.551 tors. eta vs tors. theta energy: -111.929 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: 78 Temperature: 1.050000 Total energy: -1456.549116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.549116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.549116 (E_RNA) where: Base-Base interactions energy: -1067.446 where: short stacking energy: -398.882 Base-Backbone interact. energy: 0.101 local terms energy: -389.204580 where: bonds (distance) C4'-P energy: -70.654 bonds (distance) P-C4' energy: -65.252 flat angles C4'-P-C4' energy: -83.411 flat angles P-C4'-P energy: -57.795 tors. eta vs tors. theta energy: -112.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1385.379457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.379457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.379457 (E_RNA) where: Base-Base interactions energy: -1003.685 where: short stacking energy: -386.331 Base-Backbone interact. energy: -0.336 local terms energy: -381.358284 where: bonds (distance) C4'-P energy: -70.962 bonds (distance) P-C4' energy: -69.801 flat angles C4'-P-C4' energy: -81.492 flat angles P-C4'-P energy: -53.519 tors. eta vs tors. theta energy: -105.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1360.949215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.949215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.949215 (E_RNA) where: Base-Base interactions energy: -992.781 where: short stacking energy: -399.336 Base-Backbone interact. energy: -0.686 local terms energy: -367.482604 where: bonds (distance) C4'-P energy: -59.436 bonds (distance) P-C4' energy: -69.301 flat angles C4'-P-C4' energy: -75.811 flat angles P-C4'-P energy: -46.987 tors. eta vs tors. theta energy: -115.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1245.102808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.102808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.102808 (E_RNA) where: Base-Base interactions energy: -902.813 where: short stacking energy: -373.797 Base-Backbone interact. energy: 0.461 local terms energy: -342.751160 where: bonds (distance) C4'-P energy: -53.126 bonds (distance) P-C4' energy: -61.276 flat angles C4'-P-C4' energy: -77.511 flat angles P-C4'-P energy: -44.057 tors. eta vs tors. theta energy: -106.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1175.007424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.007424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.007424 (E_RNA) where: Base-Base interactions energy: -847.916 where: short stacking energy: -330.918 Base-Backbone interact. energy: 0.327 local terms energy: -327.419334 where: bonds (distance) C4'-P energy: -70.739 bonds (distance) P-C4' energy: -54.327 flat angles C4'-P-C4' energy: -73.252 flat angles P-C4'-P energy: -46.597 tors. eta vs tors. theta energy: -82.505 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: 78 Temperature: 1.300000 Total energy: -1180.290580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.290580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.290580 (E_RNA) where: Base-Base interactions energy: -834.447 where: short stacking energy: -325.327 Base-Backbone interact. energy: -1.126 local terms energy: -344.717201 where: bonds (distance) C4'-P energy: -56.343 bonds (distance) P-C4' energy: -72.688 flat angles C4'-P-C4' energy: -70.312 flat angles P-C4'-P energy: -49.213 tors. eta vs tors. theta energy: -96.161 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: 4 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -926.399052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.399052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.399052 (E_RNA) where: Base-Base interactions energy: -634.816 where: short stacking energy: -274.467 Base-Backbone interact. energy: -0.253 local terms energy: -291.330812 where: bonds (distance) C4'-P energy: -63.800 bonds (distance) P-C4' energy: -61.268 flat angles C4'-P-C4' energy: -65.407 flat angles P-C4'-P energy: -31.336 tors. eta vs tors. theta energy: -69.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1577.213249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.213249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.213249 (E_RNA) where: Base-Base interactions energy: -1150.214 where: short stacking energy: -447.337 Base-Backbone interact. energy: -1.209 local terms energy: -425.789636 where: bonds (distance) C4'-P energy: -81.043 bonds (distance) P-C4' energy: -74.448 flat angles C4'-P-C4' energy: -83.471 flat angles P-C4'-P energy: -57.331 tors. eta vs tors. theta energy: -129.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1529.068505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.068505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.068505 (E_RNA) where: Base-Base interactions energy: -1110.956 where: short stacking energy: -431.265 Base-Backbone interact. energy: 1.378 local terms energy: -419.490230 where: bonds (distance) C4'-P energy: -73.283 bonds (distance) P-C4' energy: -75.854 flat angles C4'-P-C4' energy: -87.007 flat angles P-C4'-P energy: -61.879 tors. eta vs tors. theta energy: -121.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1413.666470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.666470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.666470 (E_RNA) where: Base-Base interactions energy: -1034.246 where: short stacking energy: -384.880 Base-Backbone interact. energy: 1.988 local terms energy: -381.408285 where: bonds (distance) C4'-P energy: -71.678 bonds (distance) P-C4' energy: -70.072 flat angles C4'-P-C4' energy: -80.991 flat angles P-C4'-P energy: -58.714 tors. eta vs tors. theta energy: -99.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1471.566155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.566155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.566155 (E_RNA) where: Base-Base interactions energy: -1071.586 where: short stacking energy: -404.295 Base-Backbone interact. energy: 0.166 local terms energy: -400.145725 where: bonds (distance) C4'-P energy: -72.126 bonds (distance) P-C4' energy: -70.772 flat angles C4'-P-C4' energy: -81.837 flat angles P-C4'-P energy: -62.126 tors. eta vs tors. theta energy: -113.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1408.999338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.999338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.999338 (E_RNA) where: Base-Base interactions energy: -1020.515 where: short stacking energy: -384.715 Base-Backbone interact. energy: -0.648 local terms energy: -387.835996 where: bonds (distance) C4'-P energy: -66.065 bonds (distance) P-C4' energy: -68.248 flat angles C4'-P-C4' energy: -89.014 flat angles P-C4'-P energy: -63.622 tors. eta vs tors. theta energy: -100.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1363.430915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.430915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.430915 (E_RNA) where: Base-Base interactions energy: -1015.597 where: short stacking energy: -399.316 Base-Backbone interact. energy: 0.136 local terms energy: -347.969762 where: bonds (distance) C4'-P energy: -49.863 bonds (distance) P-C4' energy: -46.746 flat angles C4'-P-C4' energy: -71.551 flat angles P-C4'-P energy: -56.329 tors. eta vs tors. theta energy: -123.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1230.000400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.000400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.000400 (E_RNA) where: Base-Base interactions energy: -861.889 where: short stacking energy: -350.682 Base-Backbone interact. energy: -2.077 local terms energy: -366.034283 where: bonds (distance) C4'-P energy: -65.152 bonds (distance) P-C4' energy: -62.293 flat angles C4'-P-C4' energy: -91.099 flat angles P-C4'-P energy: -47.147 tors. eta vs tors. theta energy: -100.343 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: 3 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1160.835265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.835265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.835265 (E_RNA) where: Base-Base interactions energy: -814.874 where: short stacking energy: -330.626 Base-Backbone interact. energy: 3.334 local terms energy: -349.294977 where: bonds (distance) C4'-P energy: -71.206 bonds (distance) P-C4' energy: -59.980 flat angles C4'-P-C4' energy: -72.557 flat angles P-C4'-P energy: -50.497 tors. eta vs tors. theta energy: -95.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1066.475992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.475992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.475992 (E_RNA) where: Base-Base interactions energy: -763.452 where: short stacking energy: -305.493 Base-Backbone interact. energy: 1.515 local terms energy: -304.538415 where: bonds (distance) C4'-P energy: -57.222 bonds (distance) P-C4' energy: -70.278 flat angles C4'-P-C4' energy: -65.327 flat angles P-C4'-P energy: -32.406 tors. eta vs tors. theta energy: -79.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -956.325526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.325526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.325526 (E_RNA) where: Base-Base interactions energy: -656.317 where: short stacking energy: -273.596 Base-Backbone interact. energy: -0.599 local terms energy: -299.409575 where: bonds (distance) C4'-P energy: -58.110 bonds (distance) P-C4' energy: -64.452 flat angles C4'-P-C4' energy: -74.626 flat angles P-C4'-P energy: -47.826 tors. eta vs tors. theta energy: -54.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1574.149887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.149887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.149887 (E_RNA) where: Base-Base interactions energy: -1160.793 where: short stacking energy: -458.804 Base-Backbone interact. energy: -1.792 local terms energy: -411.565207 where: bonds (distance) C4'-P energy: -72.294 bonds (distance) P-C4' energy: -71.551 flat angles C4'-P-C4' energy: -80.182 flat angles P-C4'-P energy: -57.942 tors. eta vs tors. theta energy: -129.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1524.954593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.954593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.954593 (E_RNA) where: Base-Base interactions energy: -1087.999 where: short stacking energy: -422.184 Base-Backbone interact. energy: -1.355 local terms energy: -435.600433 where: bonds (distance) C4'-P energy: -80.058 bonds (distance) P-C4' energy: -80.700 flat angles C4'-P-C4' energy: -90.036 flat angles P-C4'-P energy: -62.015 tors. eta vs tors. theta energy: -122.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1490.893036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.893036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.893036 (E_RNA) where: Base-Base interactions energy: -1087.021 where: short stacking energy: -408.433 Base-Backbone interact. energy: -2.283 local terms energy: -401.589237 where: bonds (distance) C4'-P energy: -66.963 bonds (distance) P-C4' energy: -79.157 flat angles C4'-P-C4' energy: -83.592 flat angles P-C4'-P energy: -59.673 tors. eta vs tors. theta energy: -112.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1392.957577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.957577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.957577 (E_RNA) where: Base-Base interactions energy: -999.548 where: short stacking energy: -387.261 Base-Backbone interact. energy: -2.053 local terms energy: -391.356533 where: bonds (distance) C4'-P energy: -72.934 bonds (distance) P-C4' energy: -72.214 flat angles C4'-P-C4' energy: -86.618 flat angles P-C4'-P energy: -56.727 tors. eta vs tors. theta energy: -102.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1409.662728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.662728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.662728 (E_RNA) where: Base-Base interactions energy: -1017.621 where: short stacking energy: -417.641 Base-Backbone interact. energy: -0.948 local terms energy: -391.094057 where: bonds (distance) C4'-P energy: -59.621 bonds (distance) P-C4' energy: -77.328 flat angles C4'-P-C4' energy: -81.778 flat angles P-C4'-P energy: -51.164 tors. eta vs tors. theta energy: -121.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1357.425009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.425009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.425009 (E_RNA) where: Base-Base interactions energy: -967.260 where: short stacking energy: -362.789 Base-Backbone interact. energy: -2.822 local terms energy: -387.343507 where: bonds (distance) C4'-P energy: -72.273 bonds (distance) P-C4' energy: -72.874 flat angles C4'-P-C4' energy: -76.531 flat angles P-C4'-P energy: -55.854 tors. eta vs tors. theta energy: -109.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1238.328552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.328552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.328552 (E_RNA) where: Base-Base interactions energy: -884.865 where: short stacking energy: -356.001 Base-Backbone interact. energy: 0.268 local terms energy: -353.731403 where: bonds (distance) C4'-P energy: -54.732 bonds (distance) P-C4' energy: -68.338 flat angles C4'-P-C4' energy: -68.307 flat angles P-C4'-P energy: -62.022 tors. eta vs tors. theta energy: -100.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1182.793009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.793009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.793009 (E_RNA) where: Base-Base interactions energy: -836.441 where: short stacking energy: -322.778 Base-Backbone interact. energy: -1.080 local terms energy: -345.271823 where: bonds (distance) C4'-P energy: -70.805 bonds (distance) P-C4' energy: -60.272 flat angles C4'-P-C4' energy: -77.963 flat angles P-C4'-P energy: -49.663 tors. eta vs tors. theta energy: -86.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1071.062350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.062350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.062350 (E_RNA) where: Base-Base interactions energy: -747.871 where: short stacking energy: -303.907 Base-Backbone interact. energy: 1.194 local terms energy: -324.385629 where: bonds (distance) C4'-P energy: -65.283 bonds (distance) P-C4' energy: -62.609 flat angles C4'-P-C4' energy: -73.934 flat angles P-C4'-P energy: -40.964 tors. eta vs tors. theta energy: -81.596 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: 10, replica: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1006.092637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.092637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.092637 (E_RNA) where: Base-Base interactions energy: -726.410 where: short stacking energy: -281.715 Base-Backbone interact. energy: -1.071 local terms energy: -278.611726 where: bonds (distance) C4'-P energy: -55.579 bonds (distance) P-C4' energy: -42.854 flat angles C4'-P-C4' energy: -70.886 flat angles P-C4'-P energy: -40.678 tors. eta vs tors. theta energy: -68.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1553.046366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.046366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.046366 (E_RNA) where: Base-Base interactions energy: -1138.199 where: short stacking energy: -444.710 Base-Backbone interact. energy: -0.710 local terms energy: -414.136669 where: bonds (distance) C4'-P energy: -86.681 bonds (distance) P-C4' energy: -58.436 flat angles C4'-P-C4' energy: -81.950 flat angles P-C4'-P energy: -63.905 tors. eta vs tors. theta energy: -123.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1509.928921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.928921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.928921 (E_RNA) where: Base-Base interactions energy: -1095.511 where: short stacking energy: -407.084 Base-Backbone interact. energy: -0.996 local terms energy: -413.422328 where: bonds (distance) C4'-P energy: -79.817 bonds (distance) P-C4' energy: -75.424 flat angles C4'-P-C4' energy: -83.093 flat angles P-C4'-P energy: -61.461 tors. eta vs tors. theta energy: -113.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1518.516361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.516361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.516361 (E_RNA) where: Base-Base interactions energy: -1090.600 where: short stacking energy: -417.916 Base-Backbone interact. energy: 1.058 local terms energy: -428.974763 where: bonds (distance) C4'-P energy: -70.921 bonds (distance) P-C4' energy: -86.855 flat angles C4'-P-C4' energy: -82.946 flat angles P-C4'-P energy: -67.342 tors. eta vs tors. theta energy: -120.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1445.192733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.192733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.192733 (E_RNA) where: Base-Base interactions energy: -1051.590 where: short stacking energy: -433.476 Base-Backbone interact. energy: -1.412 local terms energy: -392.190553 where: bonds (distance) C4'-P energy: -53.089 bonds (distance) P-C4' energy: -72.773 flat angles C4'-P-C4' energy: -88.957 flat angles P-C4'-P energy: -61.657 tors. eta vs tors. theta energy: -115.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1357.948696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.948696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.948696 (E_RNA) where: Base-Base interactions energy: -987.379 where: short stacking energy: -371.775 Base-Backbone interact. energy: 0.308 local terms energy: -370.877084 where: bonds (distance) C4'-P energy: -72.040 bonds (distance) P-C4' energy: -66.390 flat angles C4'-P-C4' energy: -84.966 flat angles P-C4'-P energy: -46.034 tors. eta vs tors. theta energy: -101.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1345.367063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.367063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.367063 (E_RNA) where: Base-Base interactions energy: -970.419 where: short stacking energy: -375.377 Base-Backbone interact. energy: 0.661 local terms energy: -375.608496 where: bonds (distance) C4'-P energy: -62.740 bonds (distance) P-C4' energy: -66.932 flat angles C4'-P-C4' energy: -84.541 flat angles P-C4'-P energy: -58.862 tors. eta vs tors. theta energy: -102.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1248.937170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.937170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.937170 (E_RNA) where: Base-Base interactions energy: -892.328 where: short stacking energy: -348.246 Base-Backbone interact. energy: -0.596 local terms energy: -356.013172 where: bonds (distance) C4'-P energy: -57.313 bonds (distance) P-C4' energy: -69.952 flat angles C4'-P-C4' energy: -79.946 flat angles P-C4'-P energy: -52.951 tors. eta vs tors. theta energy: -95.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1109.704224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.704224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.704224 (E_RNA) where: Base-Base interactions energy: -785.442 where: short stacking energy: -310.894 Base-Backbone interact. energy: 0.872 local terms energy: -325.134516 where: bonds (distance) C4'-P energy: -59.144 bonds (distance) P-C4' energy: -59.610 flat angles C4'-P-C4' energy: -72.743 flat angles P-C4'-P energy: -48.212 tors. eta vs tors. theta energy: -85.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1161.237043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.237043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.237043 (E_RNA) where: Base-Base interactions energy: -830.283 where: short stacking energy: -328.139 Base-Backbone interact. energy: -1.289 local terms energy: -329.665740 where: bonds (distance) C4'-P energy: -68.216 bonds (distance) P-C4' energy: -54.389 flat angles C4'-P-C4' energy: -79.568 flat angles P-C4'-P energy: -42.370 tors. eta vs tors. theta energy: -85.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -1012.165470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.165470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.165470 (E_RNA) where: Base-Base interactions energy: -725.812 where: short stacking energy: -289.859 Base-Backbone interact. energy: -1.349 local terms energy: -285.004496 where: bonds (distance) C4'-P energy: -51.879 bonds (distance) P-C4' energy: -67.879 flat angles C4'-P-C4' energy: -64.365 flat angles P-C4'-P energy: -34.487 tors. eta vs tors. theta energy: -66.393 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: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1548.100319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.100319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.100319 (E_RNA) where: Base-Base interactions energy: -1127.287 where: short stacking energy: -443.235 Base-Backbone interact. energy: 0.492 local terms energy: -421.304887 where: bonds (distance) C4'-P energy: -79.401 bonds (distance) P-C4' energy: -87.188 flat angles C4'-P-C4' energy: -81.008 flat angles P-C4'-P energy: -53.643 tors. eta vs tors. theta energy: -120.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1516.198613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.198613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.198613 (E_RNA) where: Base-Base interactions energy: -1105.438 where: short stacking energy: -411.314 Base-Backbone interact. energy: 0.706 local terms energy: -411.466766 where: bonds (distance) C4'-P energy: -72.423 bonds (distance) P-C4' energy: -81.643 flat angles C4'-P-C4' energy: -80.998 flat angles P-C4'-P energy: -59.795 tors. eta vs tors. theta energy: -116.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1507.576833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.576833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.576833 (E_RNA) where: Base-Base interactions energy: -1075.549 where: short stacking energy: -417.389 Base-Backbone interact. energy: -1.690 local terms energy: -430.337740 where: bonds (distance) C4'-P energy: -74.475 bonds (distance) P-C4' energy: -75.107 flat angles C4'-P-C4' energy: -90.694 flat angles P-C4'-P energy: -72.123 tors. eta vs tors. theta energy: -117.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1424.596711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.596711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.596711 (E_RNA) where: Base-Base interactions energy: -1025.625 where: short stacking energy: -399.119 Base-Backbone interact. energy: -0.778 local terms energy: -398.193568 where: bonds (distance) C4'-P energy: -76.298 bonds (distance) P-C4' energy: -77.561 flat angles C4'-P-C4' energy: -80.251 flat angles P-C4'-P energy: -58.795 tors. eta vs tors. theta energy: -105.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1397.254980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.254980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.254980 (E_RNA) where: Base-Base interactions energy: -1010.880 where: short stacking energy: -394.630 Base-Backbone interact. energy: -0.742 local terms energy: -385.633724 where: bonds (distance) C4'-P energy: -70.243 bonds (distance) P-C4' energy: -72.136 flat angles C4'-P-C4' energy: -72.811 flat angles P-C4'-P energy: -55.770 tors. eta vs tors. theta energy: -114.674 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: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1326.494039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.494039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.494039 (E_RNA) where: Base-Base interactions energy: -953.960 where: short stacking energy: -359.943 Base-Backbone interact. energy: -1.349 local terms energy: -371.185110 where: bonds (distance) C4'-P energy: -78.951 bonds (distance) P-C4' energy: -74.062 flat angles C4'-P-C4' energy: -84.445 flat angles P-C4'-P energy: -35.530 tors. eta vs tors. theta energy: -98.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1238.216731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.216731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.216731 (E_RNA) where: Base-Base interactions energy: -890.045 where: short stacking energy: -348.635 Base-Backbone interact. energy: 3.068 local terms energy: -351.239391 where: bonds (distance) C4'-P energy: -65.665 bonds (distance) P-C4' energy: -72.483 flat angles C4'-P-C4' energy: -68.645 flat angles P-C4'-P energy: -45.940 tors. eta vs tors. theta energy: -98.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1139.172796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.172796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.172796 (E_RNA) where: Base-Base interactions energy: -799.834 where: short stacking energy: -313.026 Base-Backbone interact. energy: 0.360 local terms energy: -339.698702 where: bonds (distance) C4'-P energy: -59.722 bonds (distance) P-C4' energy: -76.809 flat angles C4'-P-C4' energy: -70.309 flat angles P-C4'-P energy: -50.565 tors. eta vs tors. theta energy: -82.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1218.038831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.038831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.038831 (E_RNA) where: Base-Base interactions energy: -878.962 where: short stacking energy: -331.416 Base-Backbone interact. energy: -1.774 local terms energy: -337.303297 where: bonds (distance) C4'-P energy: -63.141 bonds (distance) P-C4' energy: -65.131 flat angles C4'-P-C4' energy: -70.513 flat angles P-C4'-P energy: -42.805 tors. eta vs tors. theta energy: -95.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1030.085523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.085523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.085523 (E_RNA) where: Base-Base interactions energy: -722.275 where: short stacking energy: -295.935 Base-Backbone interact. energy: -1.884 local terms energy: -305.926098 where: bonds (distance) C4'-P energy: -67.667 bonds (distance) P-C4' energy: -55.122 flat angles C4'-P-C4' energy: -64.652 flat angles P-C4'-P energy: -39.109 tors. eta vs tors. theta energy: -79.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1550.642134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.642134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.642134 (E_RNA) where: Base-Base interactions energy: -1140.393 where: short stacking energy: -438.179 Base-Backbone interact. energy: -1.856 local terms energy: -408.393149 where: bonds (distance) C4'-P energy: -71.729 bonds (distance) P-C4' energy: -67.332 flat angles C4'-P-C4' energy: -89.957 flat angles P-C4'-P energy: -57.059 tors. eta vs tors. theta energy: -122.316 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: 1 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1534.661085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.661085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.661085 (E_RNA) where: Base-Base interactions energy: -1112.701 where: short stacking energy: -439.927 Base-Backbone interact. energy: 0.764 local terms energy: -422.724058 where: bonds (distance) C4'-P energy: -74.861 bonds (distance) P-C4' energy: -67.765 flat angles C4'-P-C4' energy: -90.378 flat angles P-C4'-P energy: -67.973 tors. eta vs tors. theta energy: -121.746 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: 83 Temperature: 1.000000 Total energy: -1494.798396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.798396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.798396 (E_RNA) where: Base-Base interactions energy: -1112.113 where: short stacking energy: -415.330 Base-Backbone interact. energy: -1.925 local terms energy: -380.760590 where: bonds (distance) C4'-P energy: -69.641 bonds (distance) P-C4' energy: -63.522 flat angles C4'-P-C4' energy: -81.520 flat angles P-C4'-P energy: -53.344 tors. eta vs tors. theta energy: -112.734 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: 83 Temperature: 1.050000 Total energy: -1410.578430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.578430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.578430 (E_RNA) where: Base-Base interactions energy: -1026.285 where: short stacking energy: -417.100 Base-Backbone interact. energy: -0.660 local terms energy: -383.633250 where: bonds (distance) C4'-P energy: -60.662 bonds (distance) P-C4' energy: -75.432 flat angles C4'-P-C4' energy: -79.050 flat angles P-C4'-P energy: -59.130 tors. eta vs tors. theta energy: -109.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1425.439231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.439231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.439231 (E_RNA) where: Base-Base interactions energy: -1031.573 where: short stacking energy: -411.553 Base-Backbone interact. energy: -0.447 local terms energy: -393.419114 where: bonds (distance) C4'-P energy: -70.793 bonds (distance) P-C4' energy: -69.837 flat angles C4'-P-C4' energy: -84.048 flat angles P-C4'-P energy: -51.703 tors. eta vs tors. theta energy: -117.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1307.685287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.685287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.685287 (E_RNA) where: Base-Base interactions energy: -942.718 where: short stacking energy: -361.685 Base-Backbone interact. energy: -1.956 local terms energy: -363.011463 where: bonds (distance) C4'-P energy: -60.670 bonds (distance) P-C4' energy: -62.636 flat angles C4'-P-C4' energy: -83.419 flat angles P-C4'-P energy: -53.880 tors. eta vs tors. theta energy: -102.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1215.005974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.005974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.005974 (E_RNA) where: Base-Base interactions energy: -869.477 where: short stacking energy: -333.809 Base-Backbone interact. energy: 1.943 local terms energy: -347.472482 where: bonds (distance) C4'-P energy: -63.255 bonds (distance) P-C4' energy: -72.714 flat angles C4'-P-C4' energy: -72.140 flat angles P-C4'-P energy: -51.046 tors. eta vs tors. theta energy: -88.317 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: 3 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1228.319855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.319855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.319855 (E_RNA) where: Base-Base interactions energy: -887.229 where: short stacking energy: -347.887 Base-Backbone interact. energy: -0.854 local terms energy: -340.237340 where: bonds (distance) C4'-P energy: -60.075 bonds (distance) P-C4' energy: -43.979 flat angles C4'-P-C4' energy: -84.098 flat angles P-C4'-P energy: -50.686 tors. eta vs tors. theta energy: -101.399 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: 8 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1088.693201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.693201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.693201 (E_RNA) where: Base-Base interactions energy: -783.866 where: short stacking energy: -313.316 Base-Backbone interact. energy: -3.305 local terms energy: -301.522913 where: bonds (distance) C4'-P energy: -64.093 bonds (distance) P-C4' energy: -51.743 flat angles C4'-P-C4' energy: -59.502 flat angles P-C4'-P energy: -44.298 tors. eta vs tors. theta energy: -81.886 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: 10, replica: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -1016.665485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.665485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.665485 (E_RNA) where: Base-Base interactions energy: -737.625 where: short stacking energy: -295.194 Base-Backbone interact. energy: -0.656 local terms energy: -278.385442 where: bonds (distance) C4'-P energy: -58.838 bonds (distance) P-C4' energy: -55.932 flat angles C4'-P-C4' energy: -59.120 flat angles P-C4'-P energy: -39.536 tors. eta vs tors. theta energy: -64.959 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: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1533.594452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.594452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.594452 (E_RNA) where: Base-Base interactions energy: -1118.693 where: short stacking energy: -425.237 Base-Backbone interact. energy: -1.669 local terms energy: -413.232217 where: bonds (distance) C4'-P energy: -74.044 bonds (distance) P-C4' energy: -67.976 flat angles C4'-P-C4' energy: -82.231 flat angles P-C4'-P energy: -64.127 tors. eta vs tors. theta energy: -124.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1503.053352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.053352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.053352 (E_RNA) where: Base-Base interactions energy: -1082.754 where: short stacking energy: -429.752 Base-Backbone interact. energy: -2.074 local terms energy: -418.225232 where: bonds (distance) C4'-P energy: -77.850 bonds (distance) P-C4' energy: -69.637 flat angles C4'-P-C4' energy: -87.878 flat angles P-C4'-P energy: -58.778 tors. eta vs tors. theta energy: -124.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1483.056736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.056736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.056736 (E_RNA) where: Base-Base interactions energy: -1087.948 where: short stacking energy: -415.243 Base-Backbone interact. energy: -1.316 local terms energy: -393.792847 where: bonds (distance) C4'-P energy: -68.313 bonds (distance) P-C4' energy: -70.828 flat angles C4'-P-C4' energy: -86.360 flat angles P-C4'-P energy: -51.199 tors. eta vs tors. theta energy: -117.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1416.043319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.043319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.043319 (E_RNA) where: Base-Base interactions energy: -1025.512 where: short stacking energy: -397.320 Base-Backbone interact. energy: 1.108 local terms energy: -391.639271 where: bonds (distance) C4'-P energy: -64.043 bonds (distance) P-C4' energy: -65.518 flat angles C4'-P-C4' energy: -89.231 flat angles P-C4'-P energy: -60.653 tors. eta vs tors. theta energy: -112.195 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: 5, replica: 9 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1417.721941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.721941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.721941 (E_RNA) where: Base-Base interactions energy: -1009.085 where: short stacking energy: -396.523 Base-Backbone interact. energy: -1.096 local terms energy: -407.541109 where: bonds (distance) C4'-P energy: -62.699 bonds (distance) P-C4' energy: -73.249 flat angles C4'-P-C4' energy: -87.047 flat angles P-C4'-P energy: -60.742 tors. eta vs tors. theta energy: -123.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1308.988129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.988129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.988129 (E_RNA) where: Base-Base interactions energy: -954.847 where: short stacking energy: -368.491 Base-Backbone interact. energy: 0.229 local terms energy: -354.370121 where: bonds (distance) C4'-P energy: -65.097 bonds (distance) P-C4' energy: -69.570 flat angles C4'-P-C4' energy: -72.037 flat angles P-C4'-P energy: -42.053 tors. eta vs tors. theta energy: -105.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1265.045322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.045322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.045322 (E_RNA) where: Base-Base interactions energy: -886.046 where: short stacking energy: -353.652 Base-Backbone interact. energy: -1.321 local terms energy: -377.678502 where: bonds (distance) C4'-P energy: -68.242 bonds (distance) P-C4' energy: -67.107 flat angles C4'-P-C4' energy: -84.274 flat angles P-C4'-P energy: -61.827 tors. eta vs tors. theta energy: -96.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1189.854678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.854678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.854678 (E_RNA) where: Base-Base interactions energy: -822.922 where: short stacking energy: -327.896 Base-Backbone interact. energy: -1.316 local terms energy: -365.615994 where: bonds (distance) C4'-P energy: -70.320 bonds (distance) P-C4' energy: -67.181 flat angles C4'-P-C4' energy: -82.808 flat angles P-C4'-P energy: -49.835 tors. eta vs tors. theta energy: -95.472 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: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1058.770485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.770485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.770485 (E_RNA) where: Base-Base interactions energy: -742.614 where: short stacking energy: -291.930 Base-Backbone interact. energy: -1.501 local terms energy: -314.655889 where: bonds (distance) C4'-P energy: -66.557 bonds (distance) P-C4' energy: -57.164 flat angles C4'-P-C4' energy: -69.932 flat angles P-C4'-P energy: -42.003 tors. eta vs tors. theta energy: -78.999 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: 4 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -999.909648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.909648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.909648 (E_RNA) where: Base-Base interactions energy: -702.630 where: short stacking energy: -291.296 Base-Backbone interact. energy: -1.748 local terms energy: -295.531195 where: bonds (distance) C4'-P energy: -60.629 bonds (distance) P-C4' energy: -49.755 flat angles C4'-P-C4' energy: -63.551 flat angles P-C4'-P energy: -50.112 tors. eta vs tors. theta energy: -71.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1581.495300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.495300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.495300 (E_RNA) where: Base-Base interactions energy: -1168.422 where: short stacking energy: -438.162 Base-Backbone interact. energy: -1.093 local terms energy: -411.980155 where: bonds (distance) C4'-P energy: -75.317 bonds (distance) P-C4' energy: -69.418 flat angles C4'-P-C4' energy: -81.280 flat angles P-C4'-P energy: -63.178 tors. eta vs tors. theta energy: -122.788 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: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1504.887484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.887484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.887484 (E_RNA) where: Base-Base interactions energy: -1086.026 where: short stacking energy: -431.388 Base-Backbone interact. energy: -1.565 local terms energy: -417.295909 where: bonds (distance) C4'-P energy: -75.579 bonds (distance) P-C4' energy: -75.341 flat angles C4'-P-C4' energy: -86.855 flat angles P-C4'-P energy: -53.808 tors. eta vs tors. theta energy: -125.713 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: 3, replica: 6 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1503.523767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.523767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.523767 (E_RNA) where: Base-Base interactions energy: -1100.812 where: short stacking energy: -413.357 Base-Backbone interact. energy: -3.274 local terms energy: -399.438501 where: bonds (distance) C4'-P energy: -58.397 bonds (distance) P-C4' energy: -75.765 flat angles C4'-P-C4' energy: -88.205 flat angles P-C4'-P energy: -54.104 tors. eta vs tors. theta energy: -122.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1396.175071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.175071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.175071 (E_RNA) where: Base-Base interactions energy: -1023.706 where: short stacking energy: -395.471 Base-Backbone interact. energy: 3.605 local terms energy: -376.074067 where: bonds (distance) C4'-P energy: -55.491 bonds (distance) P-C4' energy: -65.939 flat angles C4'-P-C4' energy: -87.694 flat angles P-C4'-P energy: -53.723 tors. eta vs tors. theta energy: -113.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1450.011972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.011972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.011972 (E_RNA) where: Base-Base interactions energy: -1061.684 where: short stacking energy: -425.030 Base-Backbone interact. energy: -0.884 local terms energy: -387.444507 where: bonds (distance) C4'-P energy: -77.596 bonds (distance) P-C4' energy: -55.810 flat angles C4'-P-C4' energy: -83.278 flat angles P-C4'-P energy: -52.317 tors. eta vs tors. theta energy: -118.443 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: 7 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1289.582355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.582355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.582355 (E_RNA) where: Base-Base interactions energy: -926.368 where: short stacking energy: -359.615 Base-Backbone interact. energy: -1.558 local terms energy: -361.656196 where: bonds (distance) C4'-P energy: -61.810 bonds (distance) P-C4' energy: -62.729 flat angles C4'-P-C4' energy: -78.517 flat angles P-C4'-P energy: -58.079 tors. eta vs tors. theta energy: -100.521 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: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1272.061019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.061019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.061019 (E_RNA) where: Base-Base interactions energy: -906.271 where: short stacking energy: -358.193 Base-Backbone interact. energy: -0.861 local terms energy: -364.929342 where: bonds (distance) C4'-P energy: -65.743 bonds (distance) P-C4' energy: -74.039 flat angles C4'-P-C4' energy: -82.639 flat angles P-C4'-P energy: -45.831 tors. eta vs tors. theta energy: -96.678 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: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1226.790888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.790888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.790888 (E_RNA) where: Base-Base interactions energy: -863.419 where: short stacking energy: -333.507 Base-Backbone interact. energy: -0.691 local terms energy: -362.681577 where: bonds (distance) C4'-P energy: -71.902 bonds (distance) P-C4' energy: -74.862 flat angles C4'-P-C4' energy: -74.744 flat angles P-C4'-P energy: -42.885 tors. eta vs tors. theta energy: -98.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1103.960949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.960949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.960949 (E_RNA) where: Base-Base interactions energy: -772.513 where: short stacking energy: -312.266 Base-Backbone interact. energy: 0.992 local terms energy: -332.439758 where: bonds (distance) C4'-P energy: -70.010 bonds (distance) P-C4' energy: -51.467 flat angles C4'-P-C4' energy: -71.633 flat angles P-C4'-P energy: -48.638 tors. eta vs tors. theta energy: -90.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -1007.427636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.427636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.427636 (E_RNA) where: Base-Base interactions energy: -704.013 where: short stacking energy: -293.730 Base-Backbone interact. energy: -0.709 local terms energy: -302.705730 where: bonds (distance) C4'-P energy: -57.807 bonds (distance) P-C4' energy: -48.636 flat angles C4'-P-C4' energy: -73.606 flat angles P-C4'-P energy: -47.436 tors. eta vs tors. theta energy: -75.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1576.929421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.929421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.929421 (E_RNA) where: Base-Base interactions energy: -1157.929 where: short stacking energy: -437.473 Base-Backbone interact. energy: -1.022 local terms energy: -417.978840 where: bonds (distance) C4'-P energy: -71.888 bonds (distance) P-C4' energy: -69.851 flat angles C4'-P-C4' energy: -84.782 flat angles P-C4'-P energy: -70.834 tors. eta vs tors. theta energy: -120.623 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: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1500.629224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.629224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.629224 (E_RNA) where: Base-Base interactions energy: -1062.337 where: short stacking energy: -417.205 Base-Backbone interact. energy: -0.580 local terms energy: -437.711416 where: bonds (distance) C4'-P energy: -78.106 bonds (distance) P-C4' energy: -80.260 flat angles C4'-P-C4' energy: -86.264 flat angles P-C4'-P energy: -69.065 tors. eta vs tors. theta energy: -124.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1476.784847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.784847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.784847 (E_RNA) where: Base-Base interactions energy: -1087.637 where: short stacking energy: -414.363 Base-Backbone interact. energy: -4.484 local terms energy: -384.663923 where: bonds (distance) C4'-P energy: -73.357 bonds (distance) P-C4' energy: -65.155 flat angles C4'-P-C4' energy: -84.263 flat angles P-C4'-P energy: -44.988 tors. eta vs tors. theta energy: -116.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1424.865814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.865814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.865814 (E_RNA) where: Base-Base interactions energy: -1009.089 where: short stacking energy: -395.890 Base-Backbone interact. energy: -0.253 local terms energy: -415.523588 where: bonds (distance) C4'-P energy: -71.453 bonds (distance) P-C4' energy: -79.018 flat angles C4'-P-C4' energy: -85.761 flat angles P-C4'-P energy: -65.494 tors. eta vs tors. theta energy: -113.797 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: 5, replica: 9 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1453.741699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.741699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.741699 (E_RNA) where: Base-Base interactions energy: -1050.712 where: short stacking energy: -409.231 Base-Backbone interact. energy: -1.074 local terms energy: -401.955602 where: bonds (distance) C4'-P energy: -69.504 bonds (distance) P-C4' energy: -76.668 flat angles C4'-P-C4' energy: -81.814 flat angles P-C4'-P energy: -56.118 tors. eta vs tors. theta energy: -117.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1310.519455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.519455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.519455 (E_RNA) where: Base-Base interactions energy: -945.968 where: short stacking energy: -362.859 Base-Backbone interact. energy: -1.454 local terms energy: -363.097776 where: bonds (distance) C4'-P energy: -65.063 bonds (distance) P-C4' energy: -63.749 flat angles C4'-P-C4' energy: -77.142 flat angles P-C4'-P energy: -54.020 tors. eta vs tors. theta energy: -103.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1306.985154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.985154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.985154 (E_RNA) where: Base-Base interactions energy: -947.204 where: short stacking energy: -382.027 Base-Backbone interact. energy: -0.934 local terms energy: -358.847128 where: bonds (distance) C4'-P energy: -63.747 bonds (distance) P-C4' energy: -65.128 flat angles C4'-P-C4' energy: -68.911 flat angles P-C4'-P energy: -55.812 tors. eta vs tors. theta energy: -105.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1270.549151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.549151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.549151 (E_RNA) where: Base-Base interactions energy: -913.303 where: short stacking energy: -343.611 Base-Backbone interact. energy: -1.542 local terms energy: -355.703945 where: bonds (distance) C4'-P energy: -61.889 bonds (distance) P-C4' energy: -63.818 flat angles C4'-P-C4' energy: -73.893 flat angles P-C4'-P energy: -59.431 tors. eta vs tors. theta energy: -96.673 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: 8 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1080.693925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.693925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.693925 (E_RNA) where: Base-Base interactions energy: -777.908 where: short stacking energy: -314.650 Base-Backbone interact. energy: 6.463 local terms energy: -309.248850 where: bonds (distance) C4'-P energy: -51.253 bonds (distance) P-C4' energy: -62.135 flat angles C4'-P-C4' energy: -70.391 flat angles P-C4'-P energy: -45.164 tors. eta vs tors. theta energy: -80.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -997.883790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.883790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.883790 (E_RNA) where: Base-Base interactions energy: -699.372 where: short stacking energy: -280.995 Base-Backbone interact. energy: 6.440 local terms energy: -304.951609 where: bonds (distance) C4'-P energy: -57.436 bonds (distance) P-C4' energy: -70.333 flat angles C4'-P-C4' energy: -60.434 flat angles P-C4'-P energy: -45.500 tors. eta vs tors. theta energy: -71.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1567.422063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.422063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.422063 (E_RNA) where: Base-Base interactions energy: -1147.514 where: short stacking energy: -432.175 Base-Backbone interact. energy: -1.183 local terms energy: -418.725014 where: bonds (distance) C4'-P energy: -73.677 bonds (distance) P-C4' energy: -80.497 flat angles C4'-P-C4' energy: -77.911 flat angles P-C4'-P energy: -65.552 tors. eta vs tors. theta energy: -121.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1495.745673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.745673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.745673 (E_RNA) where: Base-Base interactions energy: -1095.278 where: short stacking energy: -415.081 Base-Backbone interact. energy: 1.750 local terms energy: -402.217678 where: bonds (distance) C4'-P energy: -65.533 bonds (distance) P-C4' energy: -73.307 flat angles C4'-P-C4' energy: -86.922 flat angles P-C4'-P energy: -58.403 tors. eta vs tors. theta energy: -118.053 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: 3, replica: 1 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1480.965731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.965731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.965731 (E_RNA) where: Base-Base interactions energy: -1090.982 where: short stacking energy: -418.910 Base-Backbone interact. energy: 0.606 local terms energy: -390.589635 where: bonds (distance) C4'-P energy: -69.717 bonds (distance) P-C4' energy: -62.700 flat angles C4'-P-C4' energy: -88.670 flat angles P-C4'-P energy: -52.669 tors. eta vs tors. theta energy: -116.833 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: 9 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1482.036381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.036381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.036381 (E_RNA) where: Base-Base interactions energy: -1077.142 where: short stacking energy: -409.793 Base-Backbone interact. energy: 1.264 local terms energy: -406.158755 where: bonds (distance) C4'-P energy: -67.909 bonds (distance) P-C4' energy: -67.414 flat angles C4'-P-C4' energy: -92.029 flat angles P-C4'-P energy: -65.284 tors. eta vs tors. theta energy: -113.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1387.974363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.974363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.974363 (E_RNA) where: Base-Base interactions energy: -1006.779 where: short stacking energy: -395.549 Base-Backbone interact. energy: -0.956 local terms energy: -380.239032 where: bonds (distance) C4'-P energy: -71.768 bonds (distance) P-C4' energy: -68.287 flat angles C4'-P-C4' energy: -86.006 flat angles P-C4'-P energy: -48.471 tors. eta vs tors. theta energy: -105.706 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: 10 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1319.959279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.959279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.959279 (E_RNA) where: Base-Base interactions energy: -944.925 where: short stacking energy: -362.189 Base-Backbone interact. energy: 3.333 local terms energy: -378.367852 where: bonds (distance) C4'-P energy: -70.677 bonds (distance) P-C4' energy: -58.868 flat angles C4'-P-C4' energy: -75.674 flat angles P-C4'-P energy: -65.112 tors. eta vs tors. theta energy: -108.037 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: 7 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1264.097695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.097695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.097695 (E_RNA) where: Base-Base interactions energy: -922.045 where: short stacking energy: -357.023 Base-Backbone interact. energy: 0.417 local terms energy: -342.468839 where: bonds (distance) C4'-P energy: -70.072 bonds (distance) P-C4' energy: -63.244 flat angles C4'-P-C4' energy: -73.859 flat angles P-C4'-P energy: -43.417 tors. eta vs tors. theta energy: -91.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1275.522738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.522738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.522738 (E_RNA) where: Base-Base interactions energy: -936.547 where: short stacking energy: -371.278 Base-Backbone interact. energy: 0.910 local terms energy: -339.885980 where: bonds (distance) C4'-P energy: -69.457 bonds (distance) P-C4' energy: -57.674 flat angles C4'-P-C4' energy: -66.513 flat angles P-C4'-P energy: -43.809 tors. eta vs tors. theta energy: -102.433 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: 8 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1113.546911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.546911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.546911 (E_RNA) where: Base-Base interactions energy: -797.618 where: short stacking energy: -322.785 Base-Backbone interact. energy: -0.392 local terms energy: -315.536443 where: bonds (distance) C4'-P energy: -65.262 bonds (distance) P-C4' energy: -65.267 flat angles C4'-P-C4' energy: -63.038 flat angles P-C4'-P energy: -43.405 tors. eta vs tors. theta energy: -78.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1013.530512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.530512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.530512 (E_RNA) where: Base-Base interactions energy: -708.931 where: short stacking energy: -287.648 Base-Backbone interact. energy: -0.604 local terms energy: -303.995227 where: bonds (distance) C4'-P energy: -59.907 bonds (distance) P-C4' energy: -63.430 flat angles C4'-P-C4' energy: -59.758 flat angles P-C4'-P energy: -43.584 tors. eta vs tors. theta energy: -77.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1567.413003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.413003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.413003 (E_RNA) where: Base-Base interactions energy: -1127.929 where: short stacking energy: -423.671 Base-Backbone interact. energy: 0.006 local terms energy: -439.489841 where: bonds (distance) C4'-P energy: -81.272 bonds (distance) P-C4' energy: -71.629 flat angles C4'-P-C4' energy: -91.320 flat angles P-C4'-P energy: -68.086 tors. eta vs tors. theta energy: -127.183 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: 6 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1497.096144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.096144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.096144 (E_RNA) where: Base-Base interactions energy: -1104.220 where: short stacking energy: -420.761 Base-Backbone interact. energy: -2.259 local terms energy: -390.617139 where: bonds (distance) C4'-P energy: -77.575 bonds (distance) P-C4' energy: -68.686 flat angles C4'-P-C4' energy: -74.038 flat angles P-C4'-P energy: -53.073 tors. eta vs tors. theta energy: -117.245 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: 1 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1462.557387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.557387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.557387 (E_RNA) where: Base-Base interactions energy: -1067.721 where: short stacking energy: -417.911 Base-Backbone interact. energy: -0.497 local terms energy: -394.338829 where: bonds (distance) C4'-P energy: -72.176 bonds (distance) P-C4' energy: -76.947 flat angles C4'-P-C4' energy: -84.726 flat angles P-C4'-P energy: -40.862 tors. eta vs tors. theta energy: -119.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1486.652126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.652126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.652126 (E_RNA) where: Base-Base interactions energy: -1084.775 where: short stacking energy: -418.876 Base-Backbone interact. energy: -1.699 local terms energy: -400.178665 where: bonds (distance) C4'-P energy: -68.424 bonds (distance) P-C4' energy: -73.013 flat angles C4'-P-C4' energy: -82.817 flat angles P-C4'-P energy: -57.756 tors. eta vs tors. theta energy: -118.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1379.088723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.088723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.088723 (E_RNA) where: Base-Base interactions energy: -995.116 where: short stacking energy: -388.076 Base-Backbone interact. energy: -1.834 local terms energy: -382.139375 where: bonds (distance) C4'-P energy: -62.959 bonds (distance) P-C4' energy: -69.430 flat angles C4'-P-C4' energy: -84.951 flat angles P-C4'-P energy: -55.457 tors. eta vs tors. theta energy: -109.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1306.491390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.491390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.491390 (E_RNA) where: Base-Base interactions energy: -934.441 where: short stacking energy: -377.173 Base-Backbone interact. energy: -1.603 local terms energy: -370.448112 where: bonds (distance) C4'-P energy: -60.010 bonds (distance) P-C4' energy: -61.873 flat angles C4'-P-C4' energy: -78.271 flat angles P-C4'-P energy: -59.163 tors. eta vs tors. theta energy: -111.132 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: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1257.502801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.502801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.502801 (E_RNA) where: Base-Base interactions energy: -896.129 where: short stacking energy: -350.152 Base-Backbone interact. energy: -1.392 local terms energy: -359.981901 where: bonds (distance) C4'-P energy: -65.397 bonds (distance) P-C4' energy: -72.229 flat angles C4'-P-C4' energy: -72.775 flat angles P-C4'-P energy: -45.319 tors. eta vs tors. theta energy: -104.261 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: 7 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1254.318683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.318683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.318683 (E_RNA) where: Base-Base interactions energy: -905.308 where: short stacking energy: -337.217 Base-Backbone interact. energy: -1.449 local terms energy: -347.562289 where: bonds (distance) C4'-P energy: -54.878 bonds (distance) P-C4' energy: -79.883 flat angles C4'-P-C4' energy: -74.963 flat angles P-C4'-P energy: -43.433 tors. eta vs tors. theta energy: -94.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1131.117027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.117027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.117027 (E_RNA) where: Base-Base interactions energy: -808.459 where: short stacking energy: -312.052 Base-Backbone interact. energy: -1.299 local terms energy: -321.359077 where: bonds (distance) C4'-P energy: -68.384 bonds (distance) P-C4' energy: -60.434 flat angles C4'-P-C4' energy: -64.651 flat angles P-C4'-P energy: -54.153 tors. eta vs tors. theta energy: -73.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -1043.793740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.793740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.793740 (E_RNA) where: Base-Base interactions energy: -723.128 where: short stacking energy: -290.909 Base-Backbone interact. energy: -1.309 local terms energy: -319.357141 where: bonds (distance) C4'-P energy: -57.143 bonds (distance) P-C4' energy: -65.352 flat angles C4'-P-C4' energy: -74.499 flat angles P-C4'-P energy: -47.097 tors. eta vs tors. theta energy: -75.266 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: 5 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1586.980377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.980377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.980377 (E_RNA) where: Base-Base interactions energy: -1150.482 where: short stacking energy: -443.858 Base-Backbone interact. energy: -0.457 local terms energy: -436.041077 where: bonds (distance) C4'-P energy: -78.786 bonds (distance) P-C4' energy: -79.422 flat angles C4'-P-C4' energy: -83.023 flat angles P-C4'-P energy: -64.690 tors. eta vs tors. theta energy: -130.121 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: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1496.048943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.048943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.048943 (E_RNA) where: Base-Base interactions energy: -1093.994 where: short stacking energy: -425.118 Base-Backbone interact. energy: -1.075 local terms energy: -400.980677 where: bonds (distance) C4'-P energy: -66.665 bonds (distance) P-C4' energy: -80.203 flat angles C4'-P-C4' energy: -81.216 flat angles P-C4'-P energy: -49.277 tors. eta vs tors. theta energy: -123.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1469.055974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.055974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.055974 (E_RNA) where: Base-Base interactions energy: -1034.511 where: short stacking energy: -397.275 Base-Backbone interact. energy: -3.449 local terms energy: -431.095954 where: bonds (distance) C4'-P energy: -83.640 bonds (distance) P-C4' energy: -79.781 flat angles C4'-P-C4' energy: -87.609 flat angles P-C4'-P energy: -63.307 tors. eta vs tors. theta energy: -116.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1494.062316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.062316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.062316 (E_RNA) where: Base-Base interactions energy: -1086.308 where: short stacking energy: -423.312 Base-Backbone interact. energy: 0.249 local terms energy: -408.002972 where: bonds (distance) C4'-P energy: -71.766 bonds (distance) P-C4' energy: -71.671 flat angles C4'-P-C4' energy: -78.453 flat angles P-C4'-P energy: -61.738 tors. eta vs tors. theta energy: -124.375 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: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1367.642290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.642290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.642290 (E_RNA) where: Base-Base interactions energy: -990.075 where: short stacking energy: -385.021 Base-Backbone interact. energy: 2.461 local terms energy: -380.028612 where: bonds (distance) C4'-P energy: -64.903 bonds (distance) P-C4' energy: -75.662 flat angles C4'-P-C4' energy: -73.282 flat angles P-C4'-P energy: -56.847 tors. eta vs tors. theta energy: -109.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1314.317784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.317784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.317784 (E_RNA) where: Base-Base interactions energy: -953.686 where: short stacking energy: -375.886 Base-Backbone interact. energy: -0.360 local terms energy: -360.271889 where: bonds (distance) C4'-P energy: -66.152 bonds (distance) P-C4' energy: -60.961 flat angles C4'-P-C4' energy: -78.678 flat angles P-C4'-P energy: -51.121 tors. eta vs tors. theta energy: -103.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1283.589902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.589902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.589902 (E_RNA) where: Base-Base interactions energy: -920.456 where: short stacking energy: -363.640 Base-Backbone interact. energy: -2.981 local terms energy: -360.152912 where: bonds (distance) C4'-P energy: -64.054 bonds (distance) P-C4' energy: -59.946 flat angles C4'-P-C4' energy: -78.041 flat angles P-C4'-P energy: -48.640 tors. eta vs tors. theta energy: -109.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1204.656999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.656999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.656999 (E_RNA) where: Base-Base interactions energy: -882.637 where: short stacking energy: -347.239 Base-Backbone interact. energy: 0.820 local terms energy: -322.839472 where: bonds (distance) C4'-P energy: -55.525 bonds (distance) P-C4' energy: -61.029 flat angles C4'-P-C4' energy: -65.366 flat angles P-C4'-P energy: -44.361 tors. eta vs tors. theta energy: -96.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1165.978472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.978472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.978472 (E_RNA) where: Base-Base interactions energy: -851.622 where: short stacking energy: -309.079 Base-Backbone interact. energy: 0.297 local terms energy: -314.652857 where: bonds (distance) C4'-P energy: -61.185 bonds (distance) P-C4' energy: -59.871 flat angles C4'-P-C4' energy: -76.397 flat angles P-C4'-P energy: -31.829 tors. eta vs tors. theta energy: -85.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -1029.106254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.106254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.106254 (E_RNA) where: Base-Base interactions energy: -728.029 where: short stacking energy: -302.455 Base-Backbone interact. energy: 1.311 local terms energy: -302.388397 where: bonds (distance) C4'-P energy: -50.124 bonds (distance) P-C4' energy: -61.307 flat angles C4'-P-C4' energy: -71.794 flat angles P-C4'-P energy: -45.634 tors. eta vs tors. theta energy: -73.528 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: 6 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1566.721792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.721792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.721792 (E_RNA) where: Base-Base interactions energy: -1156.351 where: short stacking energy: -440.611 Base-Backbone interact. energy: -1.714 local terms energy: -408.657264 where: bonds (distance) C4'-P energy: -77.755 bonds (distance) P-C4' energy: -73.496 flat angles C4'-P-C4' energy: -85.671 flat angles P-C4'-P energy: -52.122 tors. eta vs tors. theta energy: -119.612 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: 90 Temperature: 0.950000 Total energy: -1575.780979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.780979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.780979 (E_RNA) where: Base-Base interactions energy: -1145.855 where: short stacking energy: -436.851 Base-Backbone interact. energy: 1.389 local terms energy: -431.314808 where: bonds (distance) C4'-P energy: -70.473 bonds (distance) P-C4' energy: -88.848 flat angles C4'-P-C4' energy: -87.197 flat angles P-C4'-P energy: -62.409 tors. eta vs tors. theta energy: -122.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1488.332925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.332925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.332925 (E_RNA) where: Base-Base interactions energy: -1063.447 where: short stacking energy: -408.733 Base-Backbone interact. energy: 2.523 local terms energy: -427.409270 where: bonds (distance) C4'-P energy: -68.901 bonds (distance) P-C4' energy: -79.542 flat angles C4'-P-C4' energy: -90.072 flat angles P-C4'-P energy: -69.601 tors. eta vs tors. theta energy: -119.294 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: 4, replica: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1451.697628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.697628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.697628 (E_RNA) where: Base-Base interactions energy: -1042.525 where: short stacking energy: -393.988 Base-Backbone interact. energy: -0.134 local terms energy: -409.038833 where: bonds (distance) C4'-P energy: -59.559 bonds (distance) P-C4' energy: -77.395 flat angles C4'-P-C4' energy: -88.902 flat angles P-C4'-P energy: -67.860 tors. eta vs tors. theta energy: -115.324 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: 5, replica: 10 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1353.231786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.231786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.231786 (E_RNA) where: Base-Base interactions energy: -965.303 where: short stacking energy: -384.195 Base-Backbone interact. energy: -0.600 local terms energy: -387.328491 where: bonds (distance) C4'-P energy: -71.732 bonds (distance) P-C4' energy: -65.937 flat angles C4'-P-C4' energy: -78.531 flat angles P-C4'-P energy: -55.695 tors. eta vs tors. theta energy: -115.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1334.562664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.562664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.562664 (E_RNA) where: Base-Base interactions energy: -962.361 where: short stacking energy: -367.698 Base-Backbone interact. energy: 0.620 local terms energy: -372.821263 where: bonds (distance) C4'-P energy: -66.228 bonds (distance) P-C4' energy: -62.767 flat angles C4'-P-C4' energy: -75.867 flat angles P-C4'-P energy: -62.835 tors. eta vs tors. theta energy: -105.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1277.101419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.101419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.101419 (E_RNA) where: Base-Base interactions energy: -909.186 where: short stacking energy: -361.071 Base-Backbone interact. energy: -0.825 local terms energy: -367.090805 where: bonds (distance) C4'-P energy: -56.135 bonds (distance) P-C4' energy: -71.826 flat angles C4'-P-C4' energy: -85.380 flat angles P-C4'-P energy: -46.102 tors. eta vs tors. theta energy: -107.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1237.066338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.066338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.066338 (E_RNA) where: Base-Base interactions energy: -901.207 where: short stacking energy: -351.217 Base-Backbone interact. energy: -0.987 local terms energy: -334.872280 where: bonds (distance) C4'-P energy: -54.546 bonds (distance) P-C4' energy: -62.515 flat angles C4'-P-C4' energy: -70.821 flat angles P-C4'-P energy: -51.292 tors. eta vs tors. theta energy: -95.697 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: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1136.687399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.687399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.687399 (E_RNA) where: Base-Base interactions energy: -800.985 where: short stacking energy: -311.474 Base-Backbone interact. energy: -0.339 local terms energy: -335.363059 where: bonds (distance) C4'-P energy: -67.487 bonds (distance) P-C4' energy: -62.990 flat angles C4'-P-C4' energy: -68.093 flat angles P-C4'-P energy: -46.880 tors. eta vs tors. theta energy: -89.913 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: 10, replica: 4 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -1068.858816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.858816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.858816 (E_RNA) where: Base-Base interactions energy: -765.327 where: short stacking energy: -307.386 Base-Backbone interact. energy: -0.449 local terms energy: -303.083219 where: bonds (distance) C4'-P energy: -53.579 bonds (distance) P-C4' energy: -64.969 flat angles C4'-P-C4' energy: -65.271 flat angles P-C4'-P energy: -37.480 tors. eta vs tors. theta energy: -81.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1549.335678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.335678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.335678 (E_RNA) where: Base-Base interactions energy: -1122.806 where: short stacking energy: -420.146 Base-Backbone interact. energy: 1.495 local terms energy: -428.024700 where: bonds (distance) C4'-P energy: -76.870 bonds (distance) P-C4' energy: -83.899 flat angles C4'-P-C4' energy: -84.327 flat angles P-C4'-P energy: -64.167 tors. eta vs tors. theta energy: -118.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1563.168900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.168900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.168900 (E_RNA) where: Base-Base interactions energy: -1132.449 where: short stacking energy: -427.352 Base-Backbone interact. energy: -1.285 local terms energy: -429.435025 where: bonds (distance) C4'-P energy: -77.701 bonds (distance) P-C4' energy: -76.979 flat angles C4'-P-C4' energy: -85.608 flat angles P-C4'-P energy: -62.246 tors. eta vs tors. theta energy: -126.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1492.989524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.989524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.989524 (E_RNA) where: Base-Base interactions energy: -1084.524 where: short stacking energy: -436.645 Base-Backbone interact. energy: 0.479 local terms energy: -408.944236 where: bonds (distance) C4'-P energy: -62.401 bonds (distance) P-C4' energy: -73.823 flat angles C4'-P-C4' energy: -92.032 flat angles P-C4'-P energy: -58.611 tors. eta vs tors. theta energy: -122.076 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: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1442.109880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.109880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.109880 (E_RNA) where: Base-Base interactions energy: -1030.804 where: short stacking energy: -397.537 Base-Backbone interact. energy: 1.212 local terms energy: -412.517626 where: bonds (distance) C4'-P energy: -76.651 bonds (distance) P-C4' energy: -80.280 flat angles C4'-P-C4' energy: -83.524 flat angles P-C4'-P energy: -58.678 tors. eta vs tors. theta energy: -113.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1351.597204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.597204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.597204 (E_RNA) where: Base-Base interactions energy: -951.133 where: short stacking energy: -392.611 Base-Backbone interact. energy: -1.124 local terms energy: -399.340447 where: bonds (distance) C4'-P energy: -78.513 bonds (distance) P-C4' energy: -70.192 flat angles C4'-P-C4' energy: -87.010 flat angles P-C4'-P energy: -41.592 tors. eta vs tors. theta energy: -122.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1334.693539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.693539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.693539 (E_RNA) where: Base-Base interactions energy: -959.340 where: short stacking energy: -372.079 Base-Backbone interact. energy: -1.828 local terms energy: -373.525445 where: bonds (distance) C4'-P energy: -62.536 bonds (distance) P-C4' energy: -69.261 flat angles C4'-P-C4' energy: -74.510 flat angles P-C4'-P energy: -53.746 tors. eta vs tors. theta energy: -113.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1292.306495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.306495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.306495 (E_RNA) where: Base-Base interactions energy: -936.787 where: short stacking energy: -363.574 Base-Backbone interact. energy: 0.611 local terms energy: -356.130489 where: bonds (distance) C4'-P energy: -59.002 bonds (distance) P-C4' energy: -67.264 flat angles C4'-P-C4' energy: -75.655 flat angles P-C4'-P energy: -54.023 tors. eta vs tors. theta energy: -100.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1263.293275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.293275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.293275 (E_RNA) where: Base-Base interactions energy: -907.331 where: short stacking energy: -361.991 Base-Backbone interact. energy: -0.693 local terms energy: -355.269081 where: bonds (distance) C4'-P energy: -57.783 bonds (distance) P-C4' energy: -57.886 flat angles C4'-P-C4' energy: -81.436 flat angles P-C4'-P energy: -55.945 tors. eta vs tors. theta energy: -102.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1104.697607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.697607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.697607 (E_RNA) where: Base-Base interactions energy: -786.781 where: short stacking energy: -315.063 Base-Backbone interact. energy: 0.719 local terms energy: -318.635860 where: bonds (distance) C4'-P energy: -55.104 bonds (distance) P-C4' energy: -64.806 flat angles C4'-P-C4' energy: -76.939 flat angles P-C4'-P energy: -43.270 tors. eta vs tors. theta energy: -78.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -1046.819816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.819816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.819816 (E_RNA) where: Base-Base interactions energy: -748.010 where: short stacking energy: -311.958 Base-Backbone interact. energy: -0.590 local terms energy: -298.220308 where: bonds (distance) C4'-P energy: -46.569 bonds (distance) P-C4' energy: -58.634 flat angles C4'-P-C4' energy: -69.514 flat angles P-C4'-P energy: -43.171 tors. eta vs tors. theta energy: -80.332 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: 5 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1597.916114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.916114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.916114 (E_RNA) where: Base-Base interactions energy: -1177.245 where: short stacking energy: -449.345 Base-Backbone interact. energy: -0.160 local terms energy: -420.511093 where: bonds (distance) C4'-P energy: -76.286 bonds (distance) P-C4' energy: -72.251 flat angles C4'-P-C4' energy: -84.031 flat angles P-C4'-P energy: -58.685 tors. eta vs tors. theta energy: -129.258 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: 2, replica: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1512.317314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.317314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.317314 (E_RNA) where: Base-Base interactions energy: -1102.494 where: short stacking energy: -414.828 Base-Backbone interact. energy: 0.437 local terms energy: -410.260191 where: bonds (distance) C4'-P energy: -70.829 bonds (distance) P-C4' energy: -74.029 flat angles C4'-P-C4' energy: -86.788 flat angles P-C4'-P energy: -57.686 tors. eta vs tors. theta energy: -120.929 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: 92 Temperature: 1.000000 Total energy: -1463.087441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.087441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.087441 (E_RNA) where: Base-Base interactions energy: -1060.909 where: short stacking energy: -405.622 Base-Backbone interact. energy: -0.598 local terms energy: -401.581179 where: bonds (distance) C4'-P energy: -60.211 bonds (distance) P-C4' energy: -80.168 flat angles C4'-P-C4' energy: -82.975 flat angles P-C4'-P energy: -57.550 tors. eta vs tors. theta energy: -120.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1479.407381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.407381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.407381 (E_RNA) where: Base-Base interactions energy: -1072.946 where: short stacking energy: -409.377 Base-Backbone interact. energy: -2.126 local terms energy: -404.334630 where: bonds (distance) C4'-P energy: -67.760 bonds (distance) P-C4' energy: -74.475 flat angles C4'-P-C4' energy: -87.370 flat angles P-C4'-P energy: -55.763 tors. eta vs tors. theta energy: -118.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1366.755822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.755822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.755822 (E_RNA) where: Base-Base interactions energy: -968.836 where: short stacking energy: -384.199 Base-Backbone interact. energy: -0.794 local terms energy: -397.125957 where: bonds (distance) C4'-P energy: -63.390 bonds (distance) P-C4' energy: -72.579 flat angles C4'-P-C4' energy: -82.910 flat angles P-C4'-P energy: -56.013 tors. eta vs tors. theta energy: -122.235 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: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1322.227382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.227382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.227382 (E_RNA) where: Base-Base interactions energy: -947.571 where: short stacking energy: -368.820 Base-Backbone interact. energy: -0.983 local terms energy: -373.672532 where: bonds (distance) C4'-P energy: -61.222 bonds (distance) P-C4' energy: -68.457 flat angles C4'-P-C4' energy: -77.124 flat angles P-C4'-P energy: -55.692 tors. eta vs tors. theta energy: -111.178 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: 7, replica: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1271.263418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.263418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.263418 (E_RNA) where: Base-Base interactions energy: -929.309 where: short stacking energy: -347.242 Base-Backbone interact. energy: 7.133 local terms energy: -349.087329 where: bonds (distance) C4'-P energy: -68.447 bonds (distance) P-C4' energy: -61.589 flat angles C4'-P-C4' energy: -75.292 flat angles P-C4'-P energy: -48.641 tors. eta vs tors. theta energy: -95.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1227.249855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.249855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.249855 (E_RNA) where: Base-Base interactions energy: -890.087 where: short stacking energy: -360.928 Base-Backbone interact. energy: -1.060 local terms energy: -336.103038 where: bonds (distance) C4'-P energy: -50.755 bonds (distance) P-C4' energy: -60.532 flat angles C4'-P-C4' energy: -77.292 flat angles P-C4'-P energy: -45.425 tors. eta vs tors. theta energy: -102.098 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: 9, replica: 8 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1122.668082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.668082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.668082 (E_RNA) where: Base-Base interactions energy: -800.685 where: short stacking energy: -320.907 Base-Backbone interact. energy: -1.353 local terms energy: -320.630433 where: bonds (distance) C4'-P energy: -62.255 bonds (distance) P-C4' energy: -58.550 flat angles C4'-P-C4' energy: -61.170 flat angles P-C4'-P energy: -45.374 tors. eta vs tors. theta energy: -93.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -1071.129799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.129799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.129799 (E_RNA) where: Base-Base interactions energy: -773.333 where: short stacking energy: -303.597 Base-Backbone interact. energy: -0.144 local terms energy: -297.652894 where: bonds (distance) C4'-P energy: -54.191 bonds (distance) P-C4' energy: -67.716 flat angles C4'-P-C4' energy: -65.738 flat angles P-C4'-P energy: -35.813 tors. eta vs tors. theta energy: -74.194 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: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1595.378461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.378461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.378461 (E_RNA) where: Base-Base interactions energy: -1173.959 where: short stacking energy: -441.346 Base-Backbone interact. energy: 0.701 local terms energy: -422.120657 where: bonds (distance) C4'-P energy: -75.727 bonds (distance) P-C4' energy: -73.566 flat angles C4'-P-C4' energy: -80.173 flat angles P-C4'-P energy: -63.954 tors. eta vs tors. theta energy: -128.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1519.552291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.552291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.552291 (E_RNA) where: Base-Base interactions energy: -1110.589 where: short stacking energy: -418.956 Base-Backbone interact. energy: -1.262 local terms energy: -407.701246 where: bonds (distance) C4'-P energy: -74.606 bonds (distance) P-C4' energy: -77.745 flat angles C4'-P-C4' energy: -78.014 flat angles P-C4'-P energy: -60.338 tors. eta vs tors. theta energy: -116.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1493.107502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.107502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.107502 (E_RNA) where: Base-Base interactions energy: -1063.450 where: short stacking energy: -424.526 Base-Backbone interact. energy: -1.098 local terms energy: -428.559615 where: bonds (distance) C4'-P energy: -78.677 bonds (distance) P-C4' energy: -81.330 flat angles C4'-P-C4' energy: -80.116 flat angles P-C4'-P energy: -65.776 tors. eta vs tors. theta energy: -122.661 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: 9 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1466.480029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.480029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.480029 (E_RNA) where: Base-Base interactions energy: -1062.329 where: short stacking energy: -410.402 Base-Backbone interact. energy: 1.017 local terms energy: -405.168376 where: bonds (distance) C4'-P energy: -68.723 bonds (distance) P-C4' energy: -62.179 flat angles C4'-P-C4' energy: -88.222 flat angles P-C4'-P energy: -66.040 tors. eta vs tors. theta energy: -120.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1353.584837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.584837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.584837 (E_RNA) where: Base-Base interactions energy: -977.677 where: short stacking energy: -397.646 Base-Backbone interact. energy: -0.198 local terms energy: -375.709112 where: bonds (distance) C4'-P energy: -66.185 bonds (distance) P-C4' energy: -63.358 flat angles C4'-P-C4' energy: -80.410 flat angles P-C4'-P energy: -52.775 tors. eta vs tors. theta energy: -112.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1320.535497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.535497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.535497 (E_RNA) where: Base-Base interactions energy: -940.403 where: short stacking energy: -362.626 Base-Backbone interact. energy: -1.052 local terms energy: -379.080338 where: bonds (distance) C4'-P energy: -71.254 bonds (distance) P-C4' energy: -74.971 flat angles C4'-P-C4' energy: -74.606 flat angles P-C4'-P energy: -56.132 tors. eta vs tors. theta energy: -102.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1253.847036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.847036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.847036 (E_RNA) where: Base-Base interactions energy: -900.946 where: short stacking energy: -344.975 Base-Backbone interact. energy: -0.340 local terms energy: -352.561409 where: bonds (distance) C4'-P energy: -59.075 bonds (distance) P-C4' energy: -66.482 flat angles C4'-P-C4' energy: -81.271 flat angles P-C4'-P energy: -47.881 tors. eta vs tors. theta energy: -97.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1234.226849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.226849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.226849 (E_RNA) where: Base-Base interactions energy: -891.175 where: short stacking energy: -351.235 Base-Backbone interact. energy: 1.987 local terms energy: -345.038980 where: bonds (distance) C4'-P energy: -49.254 bonds (distance) P-C4' energy: -64.295 flat angles C4'-P-C4' energy: -76.076 flat angles P-C4'-P energy: -60.228 tors. eta vs tors. theta energy: -95.186 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: 9, replica: 8 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1135.772414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.772414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.772414 (E_RNA) where: Base-Base interactions energy: -818.439 where: short stacking energy: -309.599 Base-Backbone interact. energy: -0.415 local terms energy: -316.918837 where: bonds (distance) C4'-P energy: -53.442 bonds (distance) P-C4' energy: -59.513 flat angles C4'-P-C4' energy: -66.692 flat angles P-C4'-P energy: -47.637 tors. eta vs tors. theta energy: -89.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1084.906792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.906792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.906792 (E_RNA) where: Base-Base interactions energy: -772.460 where: short stacking energy: -307.637 Base-Backbone interact. energy: 0.232 local terms energy: -312.679179 where: bonds (distance) C4'-P energy: -60.335 bonds (distance) P-C4' energy: -66.648 flat angles C4'-P-C4' energy: -66.242 flat angles P-C4'-P energy: -26.822 tors. eta vs tors. theta energy: -92.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1597.604889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.604889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.604889 (E_RNA) where: Base-Base interactions energy: -1169.116 where: short stacking energy: -440.861 Base-Backbone interact. energy: 2.616 local terms energy: -431.104325 where: bonds (distance) C4'-P energy: -77.632 bonds (distance) P-C4' energy: -83.039 flat angles C4'-P-C4' energy: -84.172 flat angles P-C4'-P energy: -60.001 tors. eta vs tors. theta energy: -126.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1516.768113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.768113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.768113 (E_RNA) where: Base-Base interactions energy: -1110.997 where: short stacking energy: -415.967 Base-Backbone interact. energy: -2.307 local terms energy: -403.463817 where: bonds (distance) C4'-P energy: -71.980 bonds (distance) P-C4' energy: -71.776 flat angles C4'-P-C4' energy: -83.106 flat angles P-C4'-P energy: -61.503 tors. eta vs tors. theta energy: -115.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1490.157021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.157021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.157021 (E_RNA) where: Base-Base interactions energy: -1061.792 where: short stacking energy: -422.625 Base-Backbone interact. energy: -0.826 local terms energy: -427.538735 where: bonds (distance) C4'-P energy: -86.186 bonds (distance) P-C4' energy: -68.848 flat angles C4'-P-C4' energy: -86.665 flat angles P-C4'-P energy: -62.571 tors. eta vs tors. theta energy: -123.269 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: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1461.995463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.995463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.995463 (E_RNA) where: Base-Base interactions energy: -1069.313 where: short stacking energy: -417.640 Base-Backbone interact. energy: -0.266 local terms energy: -392.416275 where: bonds (distance) C4'-P energy: -69.766 bonds (distance) P-C4' energy: -65.886 flat angles C4'-P-C4' energy: -82.751 flat angles P-C4'-P energy: -50.364 tors. eta vs tors. theta energy: -123.649 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: 5, replica: 10 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1368.503197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.503197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.503197 (E_RNA) where: Base-Base interactions energy: -969.337 where: short stacking energy: -401.344 Base-Backbone interact. energy: -0.635 local terms energy: -398.531391 where: bonds (distance) C4'-P energy: -63.704 bonds (distance) P-C4' energy: -71.149 flat angles C4'-P-C4' energy: -89.962 flat angles P-C4'-P energy: -53.637 tors. eta vs tors. theta energy: -120.080 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: 6, replica: 3 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1289.218853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.218853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.218853 (E_RNA) where: Base-Base interactions energy: -926.437 where: short stacking energy: -354.478 Base-Backbone interact. energy: -0.759 local terms energy: -362.022761 where: bonds (distance) C4'-P energy: -69.567 bonds (distance) P-C4' energy: -58.513 flat angles C4'-P-C4' energy: -85.449 flat angles P-C4'-P energy: -47.699 tors. eta vs tors. theta energy: -100.795 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: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1259.554305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.554305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.554305 (E_RNA) where: Base-Base interactions energy: -924.228 where: short stacking energy: -363.615 Base-Backbone interact. energy: 2.104 local terms energy: -337.429799 where: bonds (distance) C4'-P energy: -63.432 bonds (distance) P-C4' energy: -47.146 flat angles C4'-P-C4' energy: -69.511 flat angles P-C4'-P energy: -51.416 tors. eta vs tors. theta energy: -105.925 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: 2 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1223.168866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.168866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.168866 (E_RNA) where: Base-Base interactions energy: -871.921 where: short stacking energy: -330.222 Base-Backbone interact. energy: -2.692 local terms energy: -348.556003 where: bonds (distance) C4'-P energy: -71.040 bonds (distance) P-C4' energy: -64.366 flat angles C4'-P-C4' energy: -74.558 flat angles P-C4'-P energy: -38.701 tors. eta vs tors. theta energy: -99.890 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: 9, replica: 8 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1150.608804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.608804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.608804 (E_RNA) where: Base-Base interactions energy: -809.436 where: short stacking energy: -326.696 Base-Backbone interact. energy: -1.009 local terms energy: -340.163909 where: bonds (distance) C4'-P energy: -57.785 bonds (distance) P-C4' energy: -61.314 flat angles C4'-P-C4' energy: -72.786 flat angles P-C4'-P energy: -47.578 tors. eta vs tors. theta energy: -100.700 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: 4 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -1107.889359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.889359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.889359 (E_RNA) where: Base-Base interactions energy: -787.316 where: short stacking energy: -310.610 Base-Backbone interact. energy: -1.393 local terms energy: -319.180616 where: bonds (distance) C4'-P energy: -56.202 bonds (distance) P-C4' energy: -65.243 flat angles C4'-P-C4' energy: -69.511 flat angles P-C4'-P energy: -48.035 tors. eta vs tors. theta energy: -80.188 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: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1601.557124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.557124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.557124 (E_RNA) where: Base-Base interactions energy: -1177.094 where: short stacking energy: -460.047 Base-Backbone interact. energy: -1.024 local terms energy: -423.438516 where: bonds (distance) C4'-P energy: -73.422 bonds (distance) P-C4' energy: -68.119 flat angles C4'-P-C4' energy: -87.593 flat angles P-C4'-P energy: -65.176 tors. eta vs tors. theta energy: -129.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1510.168469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.168469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.168469 (E_RNA) where: Base-Base interactions energy: -1088.926 where: short stacking energy: -423.955 Base-Backbone interact. energy: -0.312 local terms energy: -420.930781 where: bonds (distance) C4'-P energy: -80.936 bonds (distance) P-C4' energy: -76.856 flat angles C4'-P-C4' energy: -84.163 flat angles P-C4'-P energy: -58.281 tors. eta vs tors. theta energy: -120.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1486.160074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.160074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.160074 (E_RNA) where: Base-Base interactions energy: -1084.158 where: short stacking energy: -422.787 Base-Backbone interact. energy: -0.770 local terms energy: -401.232213 where: bonds (distance) C4'-P energy: -72.008 bonds (distance) P-C4' energy: -58.382 flat angles C4'-P-C4' energy: -86.041 flat angles P-C4'-P energy: -60.228 tors. eta vs tors. theta energy: -124.572 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: 9 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1472.681847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.681847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.681847 (E_RNA) where: Base-Base interactions energy: -1067.941 where: short stacking energy: -419.999 Base-Backbone interact. energy: -1.474 local terms energy: -403.266330 where: bonds (distance) C4'-P energy: -72.010 bonds (distance) P-C4' energy: -69.580 flat angles C4'-P-C4' energy: -86.125 flat angles P-C4'-P energy: -51.391 tors. eta vs tors. theta energy: -124.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1371.102590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.102590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.102590 (E_RNA) where: Base-Base interactions energy: -979.774 where: short stacking energy: -394.454 Base-Backbone interact. energy: 0.336 local terms energy: -391.664413 where: bonds (distance) C4'-P energy: -67.427 bonds (distance) P-C4' energy: -64.980 flat angles C4'-P-C4' energy: -83.642 flat angles P-C4'-P energy: -62.631 tors. eta vs tors. theta energy: -112.985 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: 3 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1278.498982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.498982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.498982 (E_RNA) where: Base-Base interactions energy: -931.143 where: short stacking energy: -363.332 Base-Backbone interact. energy: 1.056 local terms energy: -348.412317 where: bonds (distance) C4'-P energy: -67.610 bonds (distance) P-C4' energy: -57.933 flat angles C4'-P-C4' energy: -71.035 flat angles P-C4'-P energy: -56.049 tors. eta vs tors. theta energy: -95.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1260.655192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.655192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.655192 (E_RNA) where: Base-Base interactions energy: -897.345 where: short stacking energy: -361.359 Base-Backbone interact. energy: -0.512 local terms energy: -362.798149 where: bonds (distance) C4'-P energy: -65.985 bonds (distance) P-C4' energy: -65.278 flat angles C4'-P-C4' energy: -82.162 flat angles P-C4'-P energy: -47.405 tors. eta vs tors. theta energy: -101.968 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: 8 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1157.321206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.321206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.321206 (E_RNA) where: Base-Base interactions energy: -827.507 where: short stacking energy: -319.832 Base-Backbone interact. energy: -0.723 local terms energy: -329.091605 where: bonds (distance) C4'-P energy: -62.224 bonds (distance) P-C4' energy: -66.681 flat angles C4'-P-C4' energy: -67.982 flat angles P-C4'-P energy: -45.610 tors. eta vs tors. theta energy: -86.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1240.190433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.190433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.190433 (E_RNA) where: Base-Base interactions energy: -885.618 where: short stacking energy: -338.327 Base-Backbone interact. energy: -0.476 local terms energy: -354.096081 where: bonds (distance) C4'-P energy: -63.771 bonds (distance) P-C4' energy: -72.478 flat angles C4'-P-C4' energy: -80.510 flat angles P-C4'-P energy: -42.589 tors. eta vs tors. theta energy: -94.748 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: 95 Temperature: 1.350000 Total energy: -1116.548046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.548046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.548046 (E_RNA) where: Base-Base interactions energy: -787.525 where: short stacking energy: -315.522 Base-Backbone interact. energy: -0.806 local terms energy: -328.217016 where: bonds (distance) C4'-P energy: -61.164 bonds (distance) P-C4' energy: -69.025 flat angles C4'-P-C4' energy: -75.581 flat angles P-C4'-P energy: -34.626 tors. eta vs tors. theta energy: -87.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1599.377453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.377453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.377453 (E_RNA) where: Base-Base interactions energy: -1169.898 where: short stacking energy: -449.943 Base-Backbone interact. energy: -0.452 local terms energy: -429.027497 where: bonds (distance) C4'-P energy: -73.633 bonds (distance) P-C4' energy: -79.847 flat angles C4'-P-C4' energy: -80.857 flat angles P-C4'-P energy: -65.796 tors. eta vs tors. theta energy: -128.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1494.917755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.917755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.917755 (E_RNA) where: Base-Base interactions energy: -1095.698 where: short stacking energy: -404.134 Base-Backbone interact. energy: -1.171 local terms energy: -398.049119 where: bonds (distance) C4'-P energy: -72.476 bonds (distance) P-C4' energy: -74.317 flat angles C4'-P-C4' energy: -80.940 flat angles P-C4'-P energy: -59.800 tors. eta vs tors. theta energy: -110.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1521.183970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.183970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.183970 (E_RNA) where: Base-Base interactions energy: -1124.034 where: short stacking energy: -429.035 Base-Backbone interact. energy: 1.604 local terms energy: -398.754239 where: bonds (distance) C4'-P energy: -63.191 bonds (distance) P-C4' energy: -71.962 flat angles C4'-P-C4' energy: -82.737 flat angles P-C4'-P energy: -59.323 tors. eta vs tors. theta energy: -121.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1480.234984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.234984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.234984 (E_RNA) where: Base-Base interactions energy: -1072.355 where: short stacking energy: -418.957 Base-Backbone interact. energy: -3.262 local terms energy: -404.618208 where: bonds (distance) C4'-P energy: -73.514 bonds (distance) P-C4' energy: -70.515 flat angles C4'-P-C4' energy: -81.950 flat angles P-C4'-P energy: -61.162 tors. eta vs tors. theta energy: -117.478 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: 96 Temperature: 1.100000 Total energy: -1384.208699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.208699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.208699 (E_RNA) where: Base-Base interactions energy: -998.808 where: short stacking energy: -393.223 Base-Backbone interact. energy: -0.400 local terms energy: -384.999930 where: bonds (distance) C4'-P energy: -65.653 bonds (distance) P-C4' energy: -62.698 flat angles C4'-P-C4' energy: -88.216 flat angles P-C4'-P energy: -51.344 tors. eta vs tors. theta energy: -117.089 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: 3 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1336.118726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.118726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.118726 (E_RNA) where: Base-Base interactions energy: -970.424 where: short stacking energy: -364.489 Base-Backbone interact. energy: -0.117 local terms energy: -365.578035 where: bonds (distance) C4'-P energy: -69.183 bonds (distance) P-C4' energy: -61.854 flat angles C4'-P-C4' energy: -79.650 flat angles P-C4'-P energy: -53.065 tors. eta vs tors. theta energy: -101.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1252.973843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.973843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.973843 (E_RNA) where: Base-Base interactions energy: -897.304 where: short stacking energy: -356.391 Base-Backbone interact. energy: -0.832 local terms energy: -354.837586 where: bonds (distance) C4'-P energy: -60.713 bonds (distance) P-C4' energy: -67.018 flat angles C4'-P-C4' energy: -80.952 flat angles P-C4'-P energy: -46.694 tors. eta vs tors. theta energy: -99.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1173.661018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.661018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.661018 (E_RNA) where: Base-Base interactions energy: -851.651 where: short stacking energy: -343.567 Base-Backbone interact. energy: -0.695 local terms energy: -321.314403 where: bonds (distance) C4'-P energy: -52.687 bonds (distance) P-C4' energy: -72.439 flat angles C4'-P-C4' energy: -67.203 flat angles P-C4'-P energy: -34.508 tors. eta vs tors. theta energy: -94.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1253.898545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.898545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.898545 (E_RNA) where: Base-Base interactions energy: -893.455 where: short stacking energy: -357.303 Base-Backbone interact. energy: -0.615 local terms energy: -359.827875 where: bonds (distance) C4'-P energy: -62.860 bonds (distance) P-C4' energy: -64.023 flat angles C4'-P-C4' energy: -81.785 flat angles P-C4'-P energy: -50.244 tors. eta vs tors. theta energy: -100.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -1090.034908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.034908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.034908 (E_RNA) where: Base-Base interactions energy: -771.059 where: short stacking energy: -314.790 Base-Backbone interact. energy: -1.352 local terms energy: -317.623856 where: bonds (distance) C4'-P energy: -66.309 bonds (distance) P-C4' energy: -55.972 flat angles C4'-P-C4' energy: -69.362 flat angles P-C4'-P energy: -48.099 tors. eta vs tors. theta energy: -77.882 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: 5 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1600.778449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.778449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.778449 (E_RNA) where: Base-Base interactions energy: -1176.575 where: short stacking energy: -456.004 Base-Backbone interact. energy: 2.261 local terms energy: -426.464944 where: bonds (distance) C4'-P energy: -69.449 bonds (distance) P-C4' energy: -68.900 flat angles C4'-P-C4' energy: -94.595 flat angles P-C4'-P energy: -63.777 tors. eta vs tors. theta energy: -129.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1578.743313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.743313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.743313 (E_RNA) where: Base-Base interactions energy: -1165.536 where: short stacking energy: -441.923 Base-Backbone interact. energy: -1.018 local terms energy: -412.189395 where: bonds (distance) C4'-P energy: -75.515 bonds (distance) P-C4' energy: -68.071 flat angles C4'-P-C4' energy: -88.083 flat angles P-C4'-P energy: -59.387 tors. eta vs tors. theta energy: -121.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1495.280075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.280075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.280075 (E_RNA) where: Base-Base interactions energy: -1078.605 where: short stacking energy: -397.814 Base-Backbone interact. energy: -2.231 local terms energy: -414.443916 where: bonds (distance) C4'-P energy: -80.952 bonds (distance) P-C4' energy: -75.824 flat angles C4'-P-C4' energy: -79.357 flat angles P-C4'-P energy: -59.600 tors. eta vs tors. theta energy: -118.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1488.948360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.948360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.948360 (E_RNA) where: Base-Base interactions energy: -1068.179 where: short stacking energy: -412.450 Base-Backbone interact. energy: -3.147 local terms energy: -417.622263 where: bonds (distance) C4'-P energy: -77.199 bonds (distance) P-C4' energy: -76.577 flat angles C4'-P-C4' energy: -84.273 flat angles P-C4'-P energy: -59.483 tors. eta vs tors. theta energy: -120.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1394.494854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.494854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.494854 (E_RNA) where: Base-Base interactions energy: -1010.147 where: short stacking energy: -393.655 Base-Backbone interact. energy: -0.212 local terms energy: -384.135117 where: bonds (distance) C4'-P energy: -65.512 bonds (distance) P-C4' energy: -74.685 flat angles C4'-P-C4' energy: -71.940 flat angles P-C4'-P energy: -53.612 tors. eta vs tors. theta energy: -118.385 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: 7 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1286.793143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.793143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.793143 (E_RNA) where: Base-Base interactions energy: -907.168 where: short stacking energy: -348.854 Base-Backbone interact. energy: -1.348 local terms energy: -378.277150 where: bonds (distance) C4'-P energy: -78.176 bonds (distance) P-C4' energy: -58.918 flat angles C4'-P-C4' energy: -80.661 flat angles P-C4'-P energy: -58.903 tors. eta vs tors. theta energy: -101.620 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: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1274.886052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.886052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.886052 (E_RNA) where: Base-Base interactions energy: -917.622 where: short stacking energy: -355.984 Base-Backbone interact. energy: -0.414 local terms energy: -356.850085 where: bonds (distance) C4'-P energy: -51.793 bonds (distance) P-C4' energy: -64.508 flat angles C4'-P-C4' energy: -77.427 flat angles P-C4'-P energy: -52.374 tors. eta vs tors. theta energy: -110.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1244.481681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.481681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.481681 (E_RNA) where: Base-Base interactions energy: -921.418 where: short stacking energy: -357.166 Base-Backbone interact. energy: 5.183 local terms energy: -328.246801 where: bonds (distance) C4'-P energy: -61.730 bonds (distance) P-C4' energy: -57.692 flat angles C4'-P-C4' energy: -69.944 flat angles P-C4'-P energy: -40.618 tors. eta vs tors. theta energy: -98.262 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: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1278.155877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.155877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.155877 (E_RNA) where: Base-Base interactions energy: -921.734 where: short stacking energy: -357.390 Base-Backbone interact. energy: 2.520 local terms energy: -358.941188 where: bonds (distance) C4'-P energy: -70.430 bonds (distance) P-C4' energy: -66.648 flat angles C4'-P-C4' energy: -69.408 flat angles P-C4'-P energy: -52.930 tors. eta vs tors. theta energy: -99.525 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: 10, replica: 4 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -1046.952106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.952106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.952106 (E_RNA) where: Base-Base interactions energy: -754.322 where: short stacking energy: -290.460 Base-Backbone interact. energy: 0.633 local terms energy: -293.262631 where: bonds (distance) C4'-P energy: -63.658 bonds (distance) P-C4' energy: -59.094 flat angles C4'-P-C4' energy: -66.704 flat angles P-C4'-P energy: -31.503 tors. eta vs tors. theta energy: -72.304 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: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1586.414680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.414680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.414680 (E_RNA) where: Base-Base interactions energy: -1167.134 where: short stacking energy: -451.285 Base-Backbone interact. energy: -1.120 local terms energy: -418.160571 where: bonds (distance) C4'-P energy: -78.185 bonds (distance) P-C4' energy: -68.069 flat angles C4'-P-C4' energy: -89.618 flat angles P-C4'-P energy: -52.983 tors. eta vs tors. theta energy: -129.305 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: 2, replica: 9 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1586.042560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.042560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.042560 (E_RNA) where: Base-Base interactions energy: -1150.305 where: short stacking energy: -449.174 Base-Backbone interact. energy: 0.956 local terms energy: -436.693964 where: bonds (distance) C4'-P energy: -69.630 bonds (distance) P-C4' energy: -80.590 flat angles C4'-P-C4' energy: -95.034 flat angles P-C4'-P energy: -59.074 tors. eta vs tors. theta energy: -132.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1499.387717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.387717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.387717 (E_RNA) where: Base-Base interactions energy: -1092.187 where: short stacking energy: -408.152 Base-Backbone interact. energy: -1.723 local terms energy: -405.478369 where: bonds (distance) C4'-P energy: -64.071 bonds (distance) P-C4' energy: -75.628 flat angles C4'-P-C4' energy: -83.253 flat angles P-C4'-P energy: -62.529 tors. eta vs tors. theta energy: -119.998 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: 1 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1494.071778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.071778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.071778 (E_RNA) where: Base-Base interactions energy: -1067.585 where: short stacking energy: -416.080 Base-Backbone interact. energy: -1.200 local terms energy: -425.287159 where: bonds (distance) C4'-P energy: -76.825 bonds (distance) P-C4' energy: -77.372 flat angles C4'-P-C4' energy: -83.037 flat angles P-C4'-P energy: -61.582 tors. eta vs tors. theta energy: -126.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1396.502345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.502345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.502345 (E_RNA) where: Base-Base interactions energy: -1004.746 where: short stacking energy: -409.246 Base-Backbone interact. energy: 0.125 local terms energy: -391.881511 where: bonds (distance) C4'-P energy: -70.149 bonds (distance) P-C4' energy: -65.294 flat angles C4'-P-C4' energy: -81.035 flat angles P-C4'-P energy: -56.121 tors. eta vs tors. theta energy: -119.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1317.253126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.253126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.253126 (E_RNA) where: Base-Base interactions energy: -969.469 where: short stacking energy: -385.055 Base-Backbone interact. energy: -2.042 local terms energy: -345.741750 where: bonds (distance) C4'-P energy: -64.901 bonds (distance) P-C4' energy: -55.597 flat angles C4'-P-C4' energy: -66.009 flat angles P-C4'-P energy: -54.871 tors. eta vs tors. theta energy: -104.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1264.173087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.173087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.173087 (E_RNA) where: Base-Base interactions energy: -903.471 where: short stacking energy: -359.870 Base-Backbone interact. energy: -0.006 local terms energy: -360.696502 where: bonds (distance) C4'-P energy: -58.428 bonds (distance) P-C4' energy: -70.728 flat angles C4'-P-C4' energy: -83.121 flat angles P-C4'-P energy: -43.514 tors. eta vs tors. theta energy: -104.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1235.749151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.749151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.749151 (E_RNA) where: Base-Base interactions energy: -902.868 where: short stacking energy: -355.377 Base-Backbone interact. energy: -1.602 local terms energy: -331.279205 where: bonds (distance) C4'-P energy: -50.066 bonds (distance) P-C4' energy: -58.884 flat angles C4'-P-C4' energy: -81.650 flat angles P-C4'-P energy: -39.735 tors. eta vs tors. theta energy: -100.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1211.290979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.290979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.290979 (E_RNA) where: Base-Base interactions energy: -896.520 where: short stacking energy: -352.213 Base-Backbone interact. energy: -0.694 local terms energy: -314.077339 where: bonds (distance) C4'-P energy: -57.054 bonds (distance) P-C4' energy: -60.177 flat angles C4'-P-C4' energy: -60.941 flat angles P-C4'-P energy: -37.598 tors. eta vs tors. theta energy: -98.308 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: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -1030.853876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.853876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.853876 (E_RNA) where: Base-Base interactions energy: -716.437 where: short stacking energy: -293.823 Base-Backbone interact. energy: -1.316 local terms energy: -313.100648 where: bonds (distance) C4'-P energy: -65.168 bonds (distance) P-C4' energy: -61.727 flat angles C4'-P-C4' energy: -63.043 flat angles P-C4'-P energy: -40.204 tors. eta vs tors. theta energy: -82.959 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: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1595.201268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.201268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.201268 (E_RNA) where: Base-Base interactions energy: -1166.639 where: short stacking energy: -448.709 Base-Backbone interact. energy: -0.714 local terms energy: -427.848623 where: bonds (distance) C4'-P energy: -70.107 bonds (distance) P-C4' energy: -78.679 flat angles C4'-P-C4' energy: -85.786 flat angles P-C4'-P energy: -63.964 tors. eta vs tors. theta energy: -129.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1560.099443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.099443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.099443 (E_RNA) where: Base-Base interactions energy: -1134.766 where: short stacking energy: -437.616 Base-Backbone interact. energy: 2.944 local terms energy: -428.277403 where: bonds (distance) C4'-P energy: -76.288 bonds (distance) P-C4' energy: -72.113 flat angles C4'-P-C4' energy: -92.170 flat angles P-C4'-P energy: -61.496 tors. eta vs tors. theta energy: -126.210 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: 6 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1468.393039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.393039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.393039 (E_RNA) where: Base-Base interactions energy: -1062.670 where: short stacking energy: -402.368 Base-Backbone interact. energy: -1.002 local terms energy: -404.721302 where: bonds (distance) C4'-P energy: -66.877 bonds (distance) P-C4' energy: -71.268 flat angles C4'-P-C4' energy: -84.079 flat angles P-C4'-P energy: -59.627 tors. eta vs tors. theta energy: -122.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1471.391549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.391549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.391549 (E_RNA) where: Base-Base interactions energy: -1073.739 where: short stacking energy: -417.423 Base-Backbone interact. energy: -0.619 local terms energy: -397.033006 where: bonds (distance) C4'-P energy: -62.813 bonds (distance) P-C4' energy: -76.466 flat angles C4'-P-C4' energy: -81.196 flat angles P-C4'-P energy: -55.706 tors. eta vs tors. theta energy: -120.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1408.293040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.293040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.293040 (E_RNA) where: Base-Base interactions energy: -1006.765 where: short stacking energy: -396.761 Base-Backbone interact. energy: -2.517 local terms energy: -399.011278 where: bonds (distance) C4'-P energy: -76.757 bonds (distance) P-C4' energy: -74.981 flat angles C4'-P-C4' energy: -82.342 flat angles P-C4'-P energy: -55.124 tors. eta vs tors. theta energy: -109.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1295.020062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.020062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.020062 (E_RNA) where: Base-Base interactions energy: -921.723 where: short stacking energy: -366.302 Base-Backbone interact. energy: -1.300 local terms energy: -371.996876 where: bonds (distance) C4'-P energy: -64.477 bonds (distance) P-C4' energy: -59.950 flat angles C4'-P-C4' energy: -81.067 flat angles P-C4'-P energy: -53.167 tors. eta vs tors. theta energy: -113.336 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: 3 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1275.055032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.055032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.055032 (E_RNA) where: Base-Base interactions energy: -913.703 where: short stacking energy: -357.540 Base-Backbone interact. energy: 1.305 local terms energy: -362.656776 where: bonds (distance) C4'-P energy: -61.231 bonds (distance) P-C4' energy: -63.839 flat angles C4'-P-C4' energy: -79.028 flat angles P-C4'-P energy: -55.141 tors. eta vs tors. theta energy: -103.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1245.127593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.127593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.127593 (E_RNA) where: Base-Base interactions energy: -904.193 where: short stacking energy: -357.295 Base-Backbone interact. energy: -0.676 local terms energy: -340.257901 where: bonds (distance) C4'-P energy: -65.775 bonds (distance) P-C4' energy: -58.436 flat angles C4'-P-C4' energy: -69.258 flat angles P-C4'-P energy: -47.810 tors. eta vs tors. theta energy: -98.979 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: 2 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1187.067415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.067415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.067415 (E_RNA) where: Base-Base interactions energy: -886.152 where: short stacking energy: -335.753 Base-Backbone interact. energy: 0.142 local terms energy: -301.057357 where: bonds (distance) C4'-P energy: -42.166 bonds (distance) P-C4' energy: -60.396 flat angles C4'-P-C4' energy: -84.295 flat angles P-C4'-P energy: -31.327 tors. eta vs tors. theta energy: -82.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -1036.104378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.104378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.104378 (E_RNA) where: Base-Base interactions energy: -737.020 where: short stacking energy: -291.489 Base-Backbone interact. energy: -1.018 local terms energy: -298.065973 where: bonds (distance) C4'-P energy: -42.704 bonds (distance) P-C4' energy: -63.461 flat angles C4'-P-C4' energy: -70.365 flat angles P-C4'-P energy: -44.239 tors. eta vs tors. theta energy: -77.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1613.895329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.895329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.895329 (E_RNA) where: Base-Base interactions energy: -1169.123 where: short stacking energy: -462.160 Base-Backbone interact. energy: 0.074 local terms energy: -444.846863 where: bonds (distance) C4'-P energy: -63.360 bonds (distance) P-C4' energy: -78.308 flat angles C4'-P-C4' energy: -95.588 flat angles P-C4'-P energy: -67.538 tors. eta vs tors. theta energy: -140.053 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: 9 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1578.395592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.395592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.395592 (E_RNA) where: Base-Base interactions energy: -1135.430 where: short stacking energy: -446.008 Base-Backbone interact. energy: 0.783 local terms energy: -443.748726 where: bonds (distance) C4'-P energy: -78.247 bonds (distance) P-C4' energy: -79.408 flat angles C4'-P-C4' energy: -86.749 flat angles P-C4'-P energy: -68.093 tors. eta vs tors. theta energy: -131.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1466.693103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.693103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.693103 (E_RNA) where: Base-Base interactions energy: -1066.929 where: short stacking energy: -407.490 Base-Backbone interact. energy: -1.298 local terms energy: -398.466881 where: bonds (distance) C4'-P energy: -67.893 bonds (distance) P-C4' energy: -73.825 flat angles C4'-P-C4' energy: -85.188 flat angles P-C4'-P energy: -54.974 tors. eta vs tors. theta energy: -116.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1482.893415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.893415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.893415 (E_RNA) where: Base-Base interactions energy: -1076.167 where: short stacking energy: -406.781 Base-Backbone interact. energy: 0.946 local terms energy: -407.672601 where: bonds (distance) C4'-P energy: -60.220 bonds (distance) P-C4' energy: -78.763 flat angles C4'-P-C4' energy: -92.764 flat angles P-C4'-P energy: -64.774 tors. eta vs tors. theta energy: -111.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1426.937985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.937985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.937985 (E_RNA) where: Base-Base interactions energy: -1004.172 where: short stacking energy: -395.112 Base-Backbone interact. energy: -1.644 local terms energy: -421.121390 where: bonds (distance) C4'-P energy: -77.357 bonds (distance) P-C4' energy: -72.515 flat angles C4'-P-C4' energy: -90.388 flat angles P-C4'-P energy: -58.913 tors. eta vs tors. theta energy: -121.948 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: 7 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1317.322741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.322741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.322741 (E_RNA) where: Base-Base interactions energy: -943.717 where: short stacking energy: -370.078 Base-Backbone interact. energy: 0.182 local terms energy: -373.787810 where: bonds (distance) C4'-P energy: -72.971 bonds (distance) P-C4' energy: -60.287 flat angles C4'-P-C4' energy: -75.808 flat angles P-C4'-P energy: -58.514 tors. eta vs tors. theta energy: -106.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1260.580158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.580158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.580158 (E_RNA) where: Base-Base interactions energy: -891.364 where: short stacking energy: -351.250 Base-Backbone interact. energy: 0.012 local terms energy: -369.228078 where: bonds (distance) C4'-P energy: -58.523 bonds (distance) P-C4' energy: -66.848 flat angles C4'-P-C4' energy: -88.530 flat angles P-C4'-P energy: -50.352 tors. eta vs tors. theta energy: -104.976 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: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1261.637752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.637752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.637752 (E_RNA) where: Base-Base interactions energy: -917.834 where: short stacking energy: -367.350 Base-Backbone interact. energy: -1.673 local terms energy: -342.130747 where: bonds (distance) C4'-P energy: -58.325 bonds (distance) P-C4' energy: -63.153 flat angles C4'-P-C4' energy: -77.285 flat angles P-C4'-P energy: -42.295 tors. eta vs tors. theta energy: -101.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1150.337677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.337677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.337677 (E_RNA) where: Base-Base interactions energy: -827.430 where: short stacking energy: -315.737 Base-Backbone interact. energy: -1.390 local terms energy: -321.517414 where: bonds (distance) C4'-P energy: -51.538 bonds (distance) P-C4' energy: -62.997 flat angles C4'-P-C4' energy: -77.158 flat angles P-C4'-P energy: -56.500 tors. eta vs tors. theta energy: -73.324 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: 4 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -1044.105511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.105511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.105511 (E_RNA) where: Base-Base interactions energy: -738.006 where: short stacking energy: -313.313 Base-Backbone interact. energy: 0.454 local terms energy: -306.552689 where: bonds (distance) C4'-P energy: -74.626 bonds (distance) P-C4' energy: -56.334 flat angles C4'-P-C4' energy: -62.378 flat angles P-C4'-P energy: -39.863 tors. eta vs tors. theta energy: -73.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1620.590165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.590165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.590165 (E_RNA) where: Base-Base interactions energy: -1187.457 where: short stacking energy: -461.754 Base-Backbone interact. energy: -1.638 local terms energy: -431.494762 where: bonds (distance) C4'-P energy: -68.586 bonds (distance) P-C4' energy: -68.282 flat angles C4'-P-C4' energy: -90.249 flat angles P-C4'-P energy: -65.800 tors. eta vs tors. theta energy: -138.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1567.690616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.690616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.690616 (E_RNA) where: Base-Base interactions energy: -1140.511 where: short stacking energy: -447.113 Base-Backbone interact. energy: 0.665 local terms energy: -427.844903 where: bonds (distance) C4'-P energy: -78.627 bonds (distance) P-C4' energy: -79.459 flat angles C4'-P-C4' energy: -91.224 flat angles P-C4'-P energy: -54.226 tors. eta vs tors. theta energy: -124.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1488.946206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.946206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.946206 (E_RNA) where: Base-Base interactions energy: -1089.872 where: short stacking energy: -409.976 Base-Backbone interact. energy: -2.212 local terms energy: -396.861474 where: bonds (distance) C4'-P energy: -66.375 bonds (distance) P-C4' energy: -69.926 flat angles C4'-P-C4' energy: -92.019 flat angles P-C4'-P energy: -59.985 tors. eta vs tors. theta energy: -108.557 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: 1 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1480.028955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.028955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.028955 (E_RNA) where: Base-Base interactions energy: -1064.672 where: short stacking energy: -414.705 Base-Backbone interact. energy: 1.421 local terms energy: -416.777803 where: bonds (distance) C4'-P energy: -68.745 bonds (distance) P-C4' energy: -76.920 flat angles C4'-P-C4' energy: -87.860 flat angles P-C4'-P energy: -68.506 tors. eta vs tors. theta energy: -114.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1380.150179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.150179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.150179 (E_RNA) where: Base-Base interactions energy: -981.332 where: short stacking energy: -390.439 Base-Backbone interact. energy: -0.548 local terms energy: -398.270776 where: bonds (distance) C4'-P energy: -70.651 bonds (distance) P-C4' energy: -69.178 flat angles C4'-P-C4' energy: -83.397 flat angles P-C4'-P energy: -58.037 tors. eta vs tors. theta energy: -117.008 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: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1323.093313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.093313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.093313 (E_RNA) where: Base-Base interactions energy: -959.708 where: short stacking energy: -382.920 Base-Backbone interact. energy: -0.467 local terms energy: -362.918937 where: bonds (distance) C4'-P energy: -67.853 bonds (distance) P-C4' energy: -62.946 flat angles C4'-P-C4' energy: -71.199 flat angles P-C4'-P energy: -50.500 tors. eta vs tors. theta energy: -110.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1253.979445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.979445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.979445 (E_RNA) where: Base-Base interactions energy: -903.636 where: short stacking energy: -368.902 Base-Backbone interact. energy: 0.260 local terms energy: -350.603011 where: bonds (distance) C4'-P energy: -65.084 bonds (distance) P-C4' energy: -64.885 flat angles C4'-P-C4' energy: -74.961 flat angles P-C4'-P energy: -42.607 tors. eta vs tors. theta energy: -103.066 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: 8 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1268.112754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.112754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.112754 (E_RNA) where: Base-Base interactions energy: -896.819 where: short stacking energy: -357.715 Base-Backbone interact. energy: -1.609 local terms energy: -369.685077 where: bonds (distance) C4'-P energy: -62.357 bonds (distance) P-C4' energy: -58.939 flat angles C4'-P-C4' energy: -86.117 flat angles P-C4'-P energy: -57.348 tors. eta vs tors. theta energy: -104.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1097.144528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.144528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.144528 (E_RNA) where: Base-Base interactions energy: -760.591 where: short stacking energy: -285.231 Base-Backbone interact. energy: -1.562 local terms energy: -334.991647 where: bonds (distance) C4'-P energy: -64.354 bonds (distance) P-C4' energy: -75.515 flat angles C4'-P-C4' energy: -63.360 flat angles P-C4'-P energy: -50.093 tors. eta vs tors. theta energy: -81.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -1050.168226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.168226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.168226 (E_RNA) where: Base-Base interactions energy: -753.639 where: short stacking energy: -288.306 Base-Backbone interact. energy: 7.668 local terms energy: -304.197458 where: bonds (distance) C4'-P energy: -51.799 bonds (distance) P-C4' energy: -53.778 flat angles C4'-P-C4' energy: -73.370 flat angles P-C4'-P energy: -47.592 tors. eta vs tors. theta energy: -77.658 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: 5 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1596.549623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.549623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.549623 (E_RNA) where: Base-Base interactions energy: -1163.585 where: short stacking energy: -453.574 Base-Backbone interact. energy: -0.604 local terms energy: -432.360387 where: bonds (distance) C4'-P energy: -69.772 bonds (distance) P-C4' energy: -82.692 flat angles C4'-P-C4' energy: -81.591 flat angles P-C4'-P energy: -64.247 tors. eta vs tors. theta energy: -134.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1579.860568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.860568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.860568 (E_RNA) where: Base-Base interactions energy: -1150.212 where: short stacking energy: -444.123 Base-Backbone interact. energy: 1.715 local terms energy: -431.363414 where: bonds (distance) C4'-P energy: -73.864 bonds (distance) P-C4' energy: -75.081 flat angles C4'-P-C4' energy: -87.506 flat angles P-C4'-P energy: -67.242 tors. eta vs tors. theta energy: -127.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1510.926994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.926994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.926994 (E_RNA) where: Base-Base interactions energy: -1095.055 where: short stacking energy: -428.627 Base-Backbone interact. energy: -2.599 local terms energy: -413.273059 where: bonds (distance) C4'-P energy: -64.157 bonds (distance) P-C4' energy: -76.677 flat angles C4'-P-C4' energy: -89.526 flat angles P-C4'-P energy: -61.437 tors. eta vs tors. theta energy: -121.477 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: 4, replica: 6 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1435.769962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.769962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.769962 (E_RNA) where: Base-Base interactions energy: -1047.138 where: short stacking energy: -403.689 Base-Backbone interact. energy: -0.410 local terms energy: -388.221724 where: bonds (distance) C4'-P energy: -69.500 bonds (distance) P-C4' energy: -67.805 flat angles C4'-P-C4' energy: -83.991 flat angles P-C4'-P energy: -49.998 tors. eta vs tors. theta energy: -116.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1395.046880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.046880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.046880 (E_RNA) where: Base-Base interactions energy: -985.977 where: short stacking energy: -394.694 Base-Backbone interact. energy: -0.970 local terms energy: -408.100216 where: bonds (distance) C4'-P energy: -56.105 bonds (distance) P-C4' energy: -88.530 flat angles C4'-P-C4' energy: -87.485 flat angles P-C4'-P energy: -62.294 tors. eta vs tors. theta energy: -113.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1318.078081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.078081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.078081 (E_RNA) where: Base-Base interactions energy: -949.098 where: short stacking energy: -380.837 Base-Backbone interact. energy: 2.428 local terms energy: -371.408336 where: bonds (distance) C4'-P energy: -63.031 bonds (distance) P-C4' energy: -73.515 flat angles C4'-P-C4' energy: -79.639 flat angles P-C4'-P energy: -49.175 tors. eta vs tors. theta energy: -106.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1224.025183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.025183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.025183 (E_RNA) where: Base-Base interactions energy: -869.187 where: short stacking energy: -349.112 Base-Backbone interact. energy: -0.494 local terms energy: -354.344748 where: bonds (distance) C4'-P energy: -74.875 bonds (distance) P-C4' energy: -71.930 flat angles C4'-P-C4' energy: -74.866 flat angles P-C4'-P energy: -38.526 tors. eta vs tors. theta energy: -94.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1226.025033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.025033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.025033 (E_RNA) where: Base-Base interactions energy: -874.149 where: short stacking energy: -366.121 Base-Backbone interact. energy: -1.183 local terms energy: -350.692346 where: bonds (distance) C4'-P energy: -61.466 bonds (distance) P-C4' energy: -64.060 flat angles C4'-P-C4' energy: -74.230 flat angles P-C4'-P energy: -45.874 tors. eta vs tors. theta energy: -105.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1111.084952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.084952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.084952 (E_RNA) where: Base-Base interactions energy: -771.202 where: short stacking energy: -322.668 Base-Backbone interact. energy: 1.937 local terms energy: -341.820400 where: bonds (distance) C4'-P energy: -64.150 bonds (distance) P-C4' energy: -65.913 flat angles C4'-P-C4' energy: -74.390 flat angles P-C4'-P energy: -44.002 tors. eta vs tors. theta energy: -93.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1056.970980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.970980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.970980 (E_RNA) where: Base-Base interactions energy: -773.343 where: short stacking energy: -310.956 Base-Backbone interact. energy: -0.348 local terms energy: -283.279509 where: bonds (distance) C4'-P energy: -65.308 bonds (distance) P-C4' energy: -59.290 flat angles C4'-P-C4' energy: -50.116 flat angles P-C4'-P energy: -25.361 tors. eta vs tors. theta energy: -83.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1625.586657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.586657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.586657 (E_RNA) where: Base-Base interactions energy: -1181.915 where: short stacking energy: -468.862 Base-Backbone interact. energy: -0.421 local terms energy: -443.251092 where: bonds (distance) C4'-P energy: -75.449 bonds (distance) P-C4' energy: -75.448 flat angles C4'-P-C4' energy: -92.602 flat angles P-C4'-P energy: -63.696 tors. eta vs tors. theta energy: -136.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1583.478368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.478368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.478368 (E_RNA) where: Base-Base interactions energy: -1159.400 where: short stacking energy: -444.717 Base-Backbone interact. energy: -1.233 local terms energy: -422.845449 where: bonds (distance) C4'-P energy: -64.468 bonds (distance) P-C4' energy: -79.038 flat angles C4'-P-C4' energy: -88.210 flat angles P-C4'-P energy: -65.978 tors. eta vs tors. theta energy: -125.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1509.520451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.520451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.520451 (E_RNA) where: Base-Base interactions energy: -1100.389 where: short stacking energy: -427.898 Base-Backbone interact. energy: -0.390 local terms energy: -408.740953 where: bonds (distance) C4'-P energy: -68.049 bonds (distance) P-C4' energy: -70.174 flat angles C4'-P-C4' energy: -86.665 flat angles P-C4'-P energy: -64.649 tors. eta vs tors. theta energy: -119.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1440.408012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.408012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.408012 (E_RNA) where: Base-Base interactions energy: -1056.375 where: short stacking energy: -398.609 Base-Backbone interact. energy: -1.427 local terms energy: -382.606749 where: bonds (distance) C4'-P energy: -75.955 bonds (distance) P-C4' energy: -51.749 flat angles C4'-P-C4' energy: -84.922 flat angles P-C4'-P energy: -58.751 tors. eta vs tors. theta energy: -111.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1408.850662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.850662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.850662 (E_RNA) where: Base-Base interactions energy: -1014.019 where: short stacking energy: -412.220 Base-Backbone interact. energy: 0.059 local terms energy: -394.890401 where: bonds (distance) C4'-P energy: -74.647 bonds (distance) P-C4' energy: -51.549 flat angles C4'-P-C4' energy: -80.737 flat angles P-C4'-P energy: -64.138 tors. eta vs tors. theta energy: -123.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1319.233125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.233125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.233125 (E_RNA) where: Base-Base interactions energy: -973.999 where: short stacking energy: -374.590 Base-Backbone interact. energy: -0.773 local terms energy: -344.460500 where: bonds (distance) C4'-P energy: -56.253 bonds (distance) P-C4' energy: -69.434 flat angles C4'-P-C4' energy: -77.441 flat angles P-C4'-P energy: -37.923 tors. eta vs tors. theta energy: -103.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1250.477570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.477570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.477570 (E_RNA) where: Base-Base interactions energy: -874.752 where: short stacking energy: -364.693 Base-Backbone interact. energy: -1.218 local terms energy: -374.507411 where: bonds (distance) C4'-P energy: -69.379 bonds (distance) P-C4' energy: -69.727 flat angles C4'-P-C4' energy: -77.407 flat angles P-C4'-P energy: -55.336 tors. eta vs tors. theta energy: -102.658 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: 8 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1214.897512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.897512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.897512 (E_RNA) where: Base-Base interactions energy: -874.402 where: short stacking energy: -349.607 Base-Backbone interact. energy: 1.509 local terms energy: -342.004195 where: bonds (distance) C4'-P energy: -62.904 bonds (distance) P-C4' energy: -54.391 flat angles C4'-P-C4' energy: -80.058 flat angles P-C4'-P energy: -54.501 tors. eta vs tors. theta energy: -90.150 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: 9, replica: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1132.361569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.361569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.361569 (E_RNA) where: Base-Base interactions energy: -785.543 where: short stacking energy: -324.275 Base-Backbone interact. energy: 1.405 local terms energy: -348.223810 where: bonds (distance) C4'-P energy: -62.356 bonds (distance) P-C4' energy: -65.285 flat angles C4'-P-C4' energy: -77.036 flat angles P-C4'-P energy: -50.243 tors. eta vs tors. theta energy: -93.304 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: 4 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -1031.266142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.266142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.266142 (E_RNA) where: Base-Base interactions energy: -756.863 where: short stacking energy: -292.269 Base-Backbone interact. energy: 2.938 local terms energy: -277.341680 where: bonds (distance) C4'-P energy: -51.547 bonds (distance) P-C4' energy: -71.095 flat angles C4'-P-C4' energy: -45.780 flat angles P-C4'-P energy: -43.342 tors. eta vs tors. theta energy: -65.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1602.044848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.044848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.044848 (E_RNA) where: Base-Base interactions energy: -1167.678 where: short stacking energy: -461.814 Base-Backbone interact. energy: -2.487 local terms energy: -431.879698 where: bonds (distance) C4'-P energy: -74.704 bonds (distance) P-C4' energy: -71.966 flat angles C4'-P-C4' energy: -96.063 flat angles P-C4'-P energy: -63.208 tors. eta vs tors. theta energy: -125.939 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: 5 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1611.349711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.349711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.349711 (E_RNA) where: Base-Base interactions energy: -1169.701 where: short stacking energy: -453.343 Base-Backbone interact. energy: -0.068 local terms energy: -441.580807 where: bonds (distance) C4'-P energy: -74.444 bonds (distance) P-C4' energy: -80.752 flat angles C4'-P-C4' energy: -89.176 flat angles P-C4'-P energy: -58.090 tors. eta vs tors. theta energy: -139.119 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: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1485.091067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.091067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.091067 (E_RNA) where: Base-Base interactions energy: -1045.757 where: short stacking energy: -408.379 Base-Backbone interact. energy: -1.673 local terms energy: -437.661284 where: bonds (distance) C4'-P energy: -82.806 bonds (distance) P-C4' energy: -77.334 flat angles C4'-P-C4' energy: -91.880 flat angles P-C4'-P energy: -63.880 tors. eta vs tors. theta energy: -121.761 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: 4, replica: 6 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1461.163369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.163369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.163369 (E_RNA) where: Base-Base interactions energy: -1059.513 where: short stacking energy: -400.888 Base-Backbone interact. energy: 0.194 local terms energy: -401.844365 where: bonds (distance) C4'-P energy: -79.226 bonds (distance) P-C4' energy: -69.812 flat angles C4'-P-C4' energy: -79.077 flat angles P-C4'-P energy: -57.930 tors. eta vs tors. theta energy: -115.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1396.503957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.503957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.503957 (E_RNA) where: Base-Base interactions energy: -997.734 where: short stacking energy: -398.731 Base-Backbone interact. energy: 0.432 local terms energy: -399.201519 where: bonds (distance) C4'-P energy: -73.343 bonds (distance) P-C4' energy: -69.239 flat angles C4'-P-C4' energy: -80.370 flat angles P-C4'-P energy: -57.180 tors. eta vs tors. theta energy: -119.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1323.387776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.387776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.387776 (E_RNA) where: Base-Base interactions energy: -945.185 where: short stacking energy: -361.998 Base-Backbone interact. energy: -1.358 local terms energy: -376.844871 where: bonds (distance) C4'-P energy: -67.294 bonds (distance) P-C4' energy: -70.453 flat angles C4'-P-C4' energy: -83.185 flat angles P-C4'-P energy: -53.657 tors. eta vs tors. theta energy: -102.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1245.611254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.611254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.611254 (E_RNA) where: Base-Base interactions energy: -868.613 where: short stacking energy: -353.180 Base-Backbone interact. energy: -0.422 local terms energy: -376.576043 where: bonds (distance) C4'-P energy: -63.588 bonds (distance) P-C4' energy: -71.364 flat angles C4'-P-C4' energy: -83.707 flat angles P-C4'-P energy: -58.507 tors. eta vs tors. theta energy: -99.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1172.562756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.562756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.562756 (E_RNA) where: Base-Base interactions energy: -834.191 where: short stacking energy: -318.456 Base-Backbone interact. energy: 0.368 local terms energy: -338.739397 where: bonds (distance) C4'-P energy: -57.636 bonds (distance) P-C4' energy: -74.403 flat angles C4'-P-C4' energy: -72.288 flat angles P-C4'-P energy: -45.451 tors. eta vs tors. theta energy: -88.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1113.240959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.240959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.240959 (E_RNA) where: Base-Base interactions energy: -780.297 where: short stacking energy: -312.636 Base-Backbone interact. energy: -0.681 local terms energy: -332.263094 where: bonds (distance) C4'-P energy: -56.178 bonds (distance) P-C4' energy: -60.825 flat angles C4'-P-C4' energy: -66.090 flat angles P-C4'-P energy: -59.709 tors. eta vs tors. theta energy: -89.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -1067.358895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.358895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.358895 (E_RNA) where: Base-Base interactions energy: -745.933 where: short stacking energy: -296.846 Base-Backbone interact. energy: -0.175 local terms energy: -321.250918 where: bonds (distance) C4'-P energy: -64.578 bonds (distance) P-C4' energy: -57.532 flat angles C4'-P-C4' energy: -72.160 flat angles P-C4'-P energy: -45.445 tors. eta vs tors. theta energy: -81.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1596.878252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.878252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.878252 (E_RNA) where: Base-Base interactions energy: -1167.820 where: short stacking energy: -450.117 Base-Backbone interact. energy: 1.369 local terms energy: -430.427746 where: bonds (distance) C4'-P energy: -72.491 bonds (distance) P-C4' energy: -72.231 flat angles C4'-P-C4' energy: -93.943 flat angles P-C4'-P energy: -65.060 tors. eta vs tors. theta energy: -126.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1600.766293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.766293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.766293 (E_RNA) where: Base-Base interactions energy: -1179.407 where: short stacking energy: -445.478 Base-Backbone interact. energy: -0.263 local terms energy: -421.096999 where: bonds (distance) C4'-P energy: -63.047 bonds (distance) P-C4' energy: -71.785 flat angles C4'-P-C4' energy: -87.259 flat angles P-C4'-P energy: -66.566 tors. eta vs tors. theta energy: -132.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1482.474353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.474353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.474353 (E_RNA) where: Base-Base interactions energy: -1079.616 where: short stacking energy: -425.502 Base-Backbone interact. energy: -0.726 local terms energy: -402.132537 where: bonds (distance) C4'-P energy: -64.859 bonds (distance) P-C4' energy: -73.006 flat angles C4'-P-C4' energy: -87.547 flat angles P-C4'-P energy: -61.796 tors. eta vs tors. theta energy: -114.924 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: 105 Temperature: 1.050000 Total energy: -1461.893863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.893863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.893863 (E_RNA) where: Base-Base interactions energy: -1054.336 where: short stacking energy: -405.805 Base-Backbone interact. energy: -1.357 local terms energy: -406.200378 where: bonds (distance) C4'-P energy: -71.681 bonds (distance) P-C4' energy: -67.620 flat angles C4'-P-C4' energy: -87.917 flat angles P-C4'-P energy: -61.583 tors. eta vs tors. theta energy: -117.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1390.732157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.732157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.732157 (E_RNA) where: Base-Base interactions energy: -1003.264 where: short stacking energy: -395.245 Base-Backbone interact. energy: 1.443 local terms energy: -388.911214 where: bonds (distance) C4'-P energy: -73.952 bonds (distance) P-C4' energy: -63.442 flat angles C4'-P-C4' energy: -87.875 flat angles P-C4'-P energy: -54.044 tors. eta vs tors. theta energy: -109.597 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: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1332.809076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.809076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.809076 (E_RNA) where: Base-Base interactions energy: -972.712 where: short stacking energy: -372.631 Base-Backbone interact. energy: -0.500 local terms energy: -359.597883 where: bonds (distance) C4'-P energy: -61.281 bonds (distance) P-C4' energy: -70.145 flat angles C4'-P-C4' energy: -74.034 flat angles P-C4'-P energy: -51.294 tors. eta vs tors. theta energy: -102.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1264.512748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.512748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.512748 (E_RNA) where: Base-Base interactions energy: -897.290 where: short stacking energy: -359.842 Base-Backbone interact. energy: 1.832 local terms energy: -369.055076 where: bonds (distance) C4'-P energy: -66.960 bonds (distance) P-C4' energy: -63.827 flat angles C4'-P-C4' energy: -85.160 flat angles P-C4'-P energy: -47.478 tors. eta vs tors. theta energy: -105.630 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: 8, replica: 8 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1174.531375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.531375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.531375 (E_RNA) where: Base-Base interactions energy: -836.276 where: short stacking energy: -332.838 Base-Backbone interact. energy: -1.111 local terms energy: -337.145000 where: bonds (distance) C4'-P energy: -62.024 bonds (distance) P-C4' energy: -65.826 flat angles C4'-P-C4' energy: -79.419 flat angles P-C4'-P energy: -40.790 tors. eta vs tors. theta energy: -89.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1136.475356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.475356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.475356 (E_RNA) where: Base-Base interactions energy: -788.049 where: short stacking energy: -328.446 Base-Backbone interact. energy: -2.309 local terms energy: -346.116750 where: bonds (distance) C4'-P energy: -65.474 bonds (distance) P-C4' energy: -59.090 flat angles C4'-P-C4' energy: -75.109 flat angles P-C4'-P energy: -57.363 tors. eta vs tors. theta energy: -89.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -1066.900534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.900534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.900534 (E_RNA) where: Base-Base interactions energy: -744.086 where: short stacking energy: -273.389 Base-Backbone interact. energy: -0.902 local terms energy: -321.911964 where: bonds (distance) C4'-P energy: -59.588 bonds (distance) P-C4' energy: -70.614 flat angles C4'-P-C4' energy: -77.484 flat angles P-C4'-P energy: -42.501 tors. eta vs tors. theta energy: -71.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1619.179618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.179618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.179618 (E_RNA) where: Base-Base interactions energy: -1174.974 where: short stacking energy: -444.990 Base-Backbone interact. energy: -0.349 local terms energy: -443.857125 where: bonds (distance) C4'-P energy: -75.581 bonds (distance) P-C4' energy: -76.627 flat angles C4'-P-C4' energy: -94.477 flat angles P-C4'-P energy: -63.222 tors. eta vs tors. theta energy: -133.951 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: 2, replica: 9 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1564.327870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.327870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.327870 (E_RNA) where: Base-Base interactions energy: -1137.705 where: short stacking energy: -433.745 Base-Backbone interact. energy: 0.007 local terms energy: -426.630034 where: bonds (distance) C4'-P energy: -76.443 bonds (distance) P-C4' energy: -75.743 flat angles C4'-P-C4' energy: -87.963 flat angles P-C4'-P energy: -61.246 tors. eta vs tors. theta energy: -125.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1495.834797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.834797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.834797 (E_RNA) where: Base-Base interactions energy: -1111.071 where: short stacking energy: -422.602 Base-Backbone interact. energy: 1.514 local terms energy: -386.277931 where: bonds (distance) C4'-P energy: -68.138 bonds (distance) P-C4' energy: -68.455 flat angles C4'-P-C4' energy: -78.218 flat angles P-C4'-P energy: -53.374 tors. eta vs tors. theta energy: -118.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1449.253627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.253627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.253627 (E_RNA) where: Base-Base interactions energy: -1068.446 where: short stacking energy: -408.445 Base-Backbone interact. energy: 0.255 local terms energy: -381.062461 where: bonds (distance) C4'-P energy: -60.853 bonds (distance) P-C4' energy: -61.481 flat angles C4'-P-C4' energy: -84.108 flat angles P-C4'-P energy: -53.625 tors. eta vs tors. theta energy: -120.996 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: 7 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1355.577088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.577088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.577088 (E_RNA) where: Base-Base interactions energy: -956.028 where: short stacking energy: -378.349 Base-Backbone interact. energy: -1.586 local terms energy: -397.963516 where: bonds (distance) C4'-P energy: -75.264 bonds (distance) P-C4' energy: -73.566 flat angles C4'-P-C4' energy: -82.519 flat angles P-C4'-P energy: -58.427 tors. eta vs tors. theta energy: -108.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1366.524611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.524611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.524611 (E_RNA) where: Base-Base interactions energy: -983.837 where: short stacking energy: -393.913 Base-Backbone interact. energy: -0.369 local terms energy: -382.319411 where: bonds (distance) C4'-P energy: -66.457 bonds (distance) P-C4' energy: -64.192 flat angles C4'-P-C4' energy: -82.655 flat angles P-C4'-P energy: -58.553 tors. eta vs tors. theta energy: -110.463 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: 3 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1284.695796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.695796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.695796 (E_RNA) where: Base-Base interactions energy: -913.152 where: short stacking energy: -351.336 Base-Backbone interact. energy: -0.525 local terms energy: -371.018510 where: bonds (distance) C4'-P energy: -60.104 bonds (distance) P-C4' energy: -72.197 flat angles C4'-P-C4' energy: -79.388 flat angles P-C4'-P energy: -54.883 tors. eta vs tors. theta energy: -104.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1185.821739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.821739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.821739 (E_RNA) where: Base-Base interactions energy: -837.907 where: short stacking energy: -331.139 Base-Backbone interact. energy: 0.704 local terms energy: -348.618765 where: bonds (distance) C4'-P energy: -61.549 bonds (distance) P-C4' energy: -67.002 flat angles C4'-P-C4' energy: -72.632 flat angles P-C4'-P energy: -50.537 tors. eta vs tors. theta energy: -96.898 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: 106 Temperature: 1.300000 Total energy: -1087.442368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.442368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.442368 (E_RNA) where: Base-Base interactions energy: -761.149 where: short stacking energy: -307.146 Base-Backbone interact. energy: -1.380 local terms energy: -324.913475 where: bonds (distance) C4'-P energy: -58.496 bonds (distance) P-C4' energy: -62.400 flat angles C4'-P-C4' energy: -69.772 flat angles P-C4'-P energy: -58.999 tors. eta vs tors. theta energy: -75.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -1065.781642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.781642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.781642 (E_RNA) where: Base-Base interactions energy: -748.765 where: short stacking energy: -285.123 Base-Backbone interact. energy: -0.460 local terms energy: -316.556993 where: bonds (distance) C4'-P energy: -52.511 bonds (distance) P-C4' energy: -64.881 flat angles C4'-P-C4' energy: -66.478 flat angles P-C4'-P energy: -50.260 tors. eta vs tors. theta energy: -82.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1638.204841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.204841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.204841 (E_RNA) where: Base-Base interactions energy: -1188.615 where: short stacking energy: -460.909 Base-Backbone interact. energy: -0.719 local terms energy: -448.870317 where: bonds (distance) C4'-P energy: -78.398 bonds (distance) P-C4' energy: -74.400 flat angles C4'-P-C4' energy: -93.448 flat angles P-C4'-P energy: -65.327 tors. eta vs tors. theta energy: -137.297 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: 6 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1537.313787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.313787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.313787 (E_RNA) where: Base-Base interactions energy: -1116.548 where: short stacking energy: -418.038 Base-Backbone interact. energy: -2.027 local terms energy: -418.739176 where: bonds (distance) C4'-P energy: -81.557 bonds (distance) P-C4' energy: -73.234 flat angles C4'-P-C4' energy: -85.557 flat angles P-C4'-P energy: -65.501 tors. eta vs tors. theta energy: -112.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1553.001415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.001415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.001415 (E_RNA) where: Base-Base interactions energy: -1130.042 where: short stacking energy: -433.231 Base-Backbone interact. energy: 0.456 local terms energy: -423.415896 where: bonds (distance) C4'-P energy: -83.542 bonds (distance) P-C4' energy: -71.148 flat angles C4'-P-C4' energy: -82.655 flat angles P-C4'-P energy: -56.225 tors. eta vs tors. theta energy: -129.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1470.460986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.460986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.460986 (E_RNA) where: Base-Base interactions energy: -1074.578 where: short stacking energy: -421.975 Base-Backbone interact. energy: 0.403 local terms energy: -396.286524 where: bonds (distance) C4'-P energy: -72.111 bonds (distance) P-C4' energy: -58.850 flat angles C4'-P-C4' energy: -84.792 flat angles P-C4'-P energy: -57.508 tors. eta vs tors. theta energy: -123.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1356.045051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.045051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.045051 (E_RNA) where: Base-Base interactions energy: -983.126 where: short stacking energy: -380.161 Base-Backbone interact. energy: -2.572 local terms energy: -370.346674 where: bonds (distance) C4'-P energy: -58.034 bonds (distance) P-C4' energy: -64.364 flat angles C4'-P-C4' energy: -84.475 flat angles P-C4'-P energy: -53.431 tors. eta vs tors. theta energy: -110.042 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: 6, replica: 10 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1387.568233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.568233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.568233 (E_RNA) where: Base-Base interactions energy: -997.533 where: short stacking energy: -397.232 Base-Backbone interact. energy: -1.774 local terms energy: -388.261443 where: bonds (distance) C4'-P energy: -61.040 bonds (distance) P-C4' energy: -68.795 flat angles C4'-P-C4' energy: -78.684 flat angles P-C4'-P energy: -57.242 tors. eta vs tors. theta energy: -122.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1277.183452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.183452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.183452 (E_RNA) where: Base-Base interactions energy: -922.652 where: short stacking energy: -390.701 Base-Backbone interact. energy: 2.705 local terms energy: -357.235871 where: bonds (distance) C4'-P energy: -61.229 bonds (distance) P-C4' energy: -52.127 flat angles C4'-P-C4' energy: -85.689 flat angles P-C4'-P energy: -40.891 tors. eta vs tors. theta energy: -117.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1219.943172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.943172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.943172 (E_RNA) where: Base-Base interactions energy: -865.783 where: short stacking energy: -350.814 Base-Backbone interact. energy: -0.727 local terms energy: -353.433011 where: bonds (distance) C4'-P energy: -67.380 bonds (distance) P-C4' energy: -60.160 flat angles C4'-P-C4' energy: -79.130 flat angles P-C4'-P energy: -50.366 tors. eta vs tors. theta energy: -96.398 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: 9, replica: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1135.908032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.908032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.908032 (E_RNA) where: Base-Base interactions energy: -793.781 where: short stacking energy: -322.099 Base-Backbone interact. energy: -2.383 local terms energy: -339.743889 where: bonds (distance) C4'-P energy: -72.449 bonds (distance) P-C4' energy: -56.991 flat angles C4'-P-C4' energy: -75.180 flat angles P-C4'-P energy: -44.616 tors. eta vs tors. theta energy: -90.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -1119.994124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.994124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.994124 (E_RNA) where: Base-Base interactions energy: -775.183 where: short stacking energy: -300.778 Base-Backbone interact. energy: -1.783 local terms energy: -343.028046 where: bonds (distance) C4'-P energy: -61.101 bonds (distance) P-C4' energy: -80.358 flat angles C4'-P-C4' energy: -66.641 flat angles P-C4'-P energy: -52.037 tors. eta vs tors. theta energy: -82.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1650.393332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.393332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.393332 (E_RNA) where: Base-Base interactions energy: -1197.301 where: short stacking energy: -476.084 Base-Backbone interact. energy: -1.071 local terms energy: -452.021183 where: bonds (distance) C4'-P energy: -78.754 bonds (distance) P-C4' energy: -75.921 flat angles C4'-P-C4' energy: -91.272 flat angles P-C4'-P energy: -67.305 tors. eta vs tors. theta energy: -138.770 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: 6 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1526.952866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.952866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.952866 (E_RNA) where: Base-Base interactions energy: -1117.392 where: short stacking energy: -423.441 Base-Backbone interact. energy: 0.587 local terms energy: -410.147703 where: bonds (distance) C4'-P energy: -74.681 bonds (distance) P-C4' energy: -81.682 flat angles C4'-P-C4' energy: -90.437 flat angles P-C4'-P energy: -51.769 tors. eta vs tors. theta energy: -111.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1542.396467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.396467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.396467 (E_RNA) where: Base-Base interactions energy: -1122.491 where: short stacking energy: -433.273 Base-Backbone interact. energy: -2.437 local terms energy: -417.468279 where: bonds (distance) C4'-P energy: -67.234 bonds (distance) P-C4' energy: -79.752 flat angles C4'-P-C4' energy: -86.237 flat angles P-C4'-P energy: -60.250 tors. eta vs tors. theta energy: -123.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1471.863995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.863995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.863995 (E_RNA) where: Base-Base interactions energy: -1074.335 where: short stacking energy: -422.144 Base-Backbone interact. energy: -1.719 local terms energy: -395.810869 where: bonds (distance) C4'-P energy: -60.109 bonds (distance) P-C4' energy: -67.569 flat angles C4'-P-C4' energy: -87.044 flat angles P-C4'-P energy: -63.358 tors. eta vs tors. theta energy: -117.731 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: 10 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1420.763788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.763788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.763788 (E_RNA) where: Base-Base interactions energy: -1021.407 where: short stacking energy: -401.787 Base-Backbone interact. energy: -0.603 local terms energy: -398.753627 where: bonds (distance) C4'-P energy: -65.479 bonds (distance) P-C4' energy: -73.457 flat angles C4'-P-C4' energy: -86.134 flat angles P-C4'-P energy: -54.697 tors. eta vs tors. theta energy: -118.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1329.680756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.680756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.680756 (E_RNA) where: Base-Base interactions energy: -958.096 where: short stacking energy: -374.077 Base-Backbone interact. energy: 0.198 local terms energy: -371.782831 where: bonds (distance) C4'-P energy: -64.362 bonds (distance) P-C4' energy: -71.824 flat angles C4'-P-C4' energy: -82.386 flat angles P-C4'-P energy: -53.002 tors. eta vs tors. theta energy: -100.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1270.147299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.147299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.147299 (E_RNA) where: Base-Base interactions energy: -933.412 where: short stacking energy: -352.862 Base-Backbone interact. energy: -0.994 local terms energy: -335.740762 where: bonds (distance) C4'-P energy: -59.976 bonds (distance) P-C4' energy: -59.908 flat angles C4'-P-C4' energy: -73.544 flat angles P-C4'-P energy: -45.190 tors. eta vs tors. theta energy: -97.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1164.500845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.500845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.500845 (E_RNA) where: Base-Base interactions energy: -815.573 where: short stacking energy: -333.838 Base-Backbone interact. energy: -2.115 local terms energy: -346.812707 where: bonds (distance) C4'-P energy: -70.928 bonds (distance) P-C4' energy: -58.711 flat angles C4'-P-C4' energy: -73.584 flat angles P-C4'-P energy: -46.974 tors. eta vs tors. theta energy: -96.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1146.907354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.907354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.907354 (E_RNA) where: Base-Base interactions energy: -829.429 where: short stacking energy: -331.879 Base-Backbone interact. energy: 1.279 local terms energy: -318.757125 where: bonds (distance) C4'-P energy: -41.669 bonds (distance) P-C4' energy: -57.853 flat angles C4'-P-C4' energy: -82.100 flat angles P-C4'-P energy: -48.425 tors. eta vs tors. theta energy: -88.710 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: 4 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -1048.092940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.092940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.092940 (E_RNA) where: Base-Base interactions energy: -751.651 where: short stacking energy: -286.649 Base-Backbone interact. energy: 0.070 local terms energy: -296.512561 where: bonds (distance) C4'-P energy: -56.951 bonds (distance) P-C4' energy: -56.003 flat angles C4'-P-C4' energy: -70.677 flat angles P-C4'-P energy: -45.142 tors. eta vs tors. theta energy: -67.740 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: 1, replica: 5 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1643.915411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.915411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.915411 (E_RNA) where: Base-Base interactions energy: -1192.295 where: short stacking energy: -457.412 Base-Backbone interact. energy: -0.665 local terms energy: -450.955196 where: bonds (distance) C4'-P energy: -78.562 bonds (distance) P-C4' energy: -76.359 flat angles C4'-P-C4' energy: -86.866 flat angles P-C4'-P energy: -69.186 tors. eta vs tors. theta energy: -139.982 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: 9 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1566.321388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.321388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.321388 (E_RNA) where: Base-Base interactions energy: -1142.439 where: short stacking energy: -435.065 Base-Backbone interact. energy: 0.366 local terms energy: -424.248050 where: bonds (distance) C4'-P energy: -74.569 bonds (distance) P-C4' energy: -74.970 flat angles C4'-P-C4' energy: -89.095 flat angles P-C4'-P energy: -63.480 tors. eta vs tors. theta energy: -122.134 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: 109 Temperature: 1.000000 Total energy: -1523.971026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.971026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.971026 (E_RNA) where: Base-Base interactions energy: -1122.771 where: short stacking energy: -427.101 Base-Backbone interact. energy: -2.374 local terms energy: -398.825880 where: bonds (distance) C4'-P energy: -74.064 bonds (distance) P-C4' energy: -76.399 flat angles C4'-P-C4' energy: -82.588 flat angles P-C4'-P energy: -52.729 tors. eta vs tors. theta energy: -113.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1462.997200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.997200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.997200 (E_RNA) where: Base-Base interactions energy: -1065.349 where: short stacking energy: -416.519 Base-Backbone interact. energy: -1.801 local terms energy: -395.846673 where: bonds (distance) C4'-P energy: -78.013 bonds (distance) P-C4' energy: -62.955 flat angles C4'-P-C4' energy: -86.308 flat angles P-C4'-P energy: -51.420 tors. eta vs tors. theta energy: -117.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1422.285071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.285071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.285071 (E_RNA) where: Base-Base interactions energy: -1020.359 where: short stacking energy: -397.015 Base-Backbone interact. energy: -1.724 local terms energy: -400.202753 where: bonds (distance) C4'-P energy: -63.971 bonds (distance) P-C4' energy: -75.350 flat angles C4'-P-C4' energy: -79.718 flat angles P-C4'-P energy: -63.030 tors. eta vs tors. theta energy: -118.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1327.043026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.043026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.043026 (E_RNA) where: Base-Base interactions energy: -946.901 where: short stacking energy: -370.861 Base-Backbone interact. energy: -0.560 local terms energy: -379.581423 where: bonds (distance) C4'-P energy: -78.901 bonds (distance) P-C4' energy: -75.510 flat angles C4'-P-C4' energy: -76.288 flat angles P-C4'-P energy: -51.383 tors. eta vs tors. theta energy: -97.499 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: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1276.821745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.821745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.821745 (E_RNA) where: Base-Base interactions energy: -926.868 where: short stacking energy: -389.200 Base-Backbone interact. energy: 0.468 local terms energy: -350.421421 where: bonds (distance) C4'-P energy: -55.096 bonds (distance) P-C4' energy: -60.024 flat angles C4'-P-C4' energy: -82.656 flat angles P-C4'-P energy: -48.716 tors. eta vs tors. theta energy: -103.929 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: 2 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1175.863501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.863501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.863501 (E_RNA) where: Base-Base interactions energy: -829.630 where: short stacking energy: -334.967 Base-Backbone interact. energy: 1.064 local terms energy: -347.297388 where: bonds (distance) C4'-P energy: -55.096 bonds (distance) P-C4' energy: -68.380 flat angles C4'-P-C4' energy: -76.506 flat angles P-C4'-P energy: -53.219 tors. eta vs tors. theta energy: -94.096 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: 8 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1153.772790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.772790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.772790 (E_RNA) where: Base-Base interactions energy: -810.976 where: short stacking energy: -322.569 Base-Backbone interact. energy: -0.513 local terms energy: -342.283846 where: bonds (distance) C4'-P energy: -61.916 bonds (distance) P-C4' energy: -71.821 flat angles C4'-P-C4' energy: -64.560 flat angles P-C4'-P energy: -43.249 tors. eta vs tors. theta energy: -100.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -1063.939293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.939293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.939293 (E_RNA) where: Base-Base interactions energy: -745.325 where: short stacking energy: -294.114 Base-Backbone interact. energy: -2.250 local terms energy: -316.363842 where: bonds (distance) C4'-P energy: -69.183 bonds (distance) P-C4' energy: -68.993 flat angles C4'-P-C4' energy: -64.554 flat angles P-C4'-P energy: -41.735 tors. eta vs tors. theta energy: -71.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1622.997592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.997592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.997592 (E_RNA) where: Base-Base interactions energy: -1187.279 where: short stacking energy: -447.658 Base-Backbone interact. energy: 0.010 local terms energy: -435.728084 where: bonds (distance) C4'-P energy: -78.552 bonds (distance) P-C4' energy: -74.972 flat angles C4'-P-C4' energy: -91.593 flat angles P-C4'-P energy: -60.261 tors. eta vs tors. theta energy: -130.350 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: 9 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1580.056210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.056210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.056210 (E_RNA) where: Base-Base interactions energy: -1137.115 where: short stacking energy: -430.566 Base-Backbone interact. energy: -0.894 local terms energy: -442.048013 where: bonds (distance) C4'-P energy: -69.858 bonds (distance) P-C4' energy: -89.511 flat angles C4'-P-C4' energy: -92.813 flat angles P-C4'-P energy: -68.901 tors. eta vs tors. theta energy: -120.966 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: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1506.113092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.113092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.113092 (E_RNA) where: Base-Base interactions energy: -1113.951 where: short stacking energy: -421.200 Base-Backbone interact. energy: -2.367 local terms energy: -389.794990 where: bonds (distance) C4'-P energy: -67.982 bonds (distance) P-C4' energy: -67.967 flat angles C4'-P-C4' energy: -84.172 flat angles P-C4'-P energy: -56.469 tors. eta vs tors. theta energy: -113.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1469.234873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.234873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.234873 (E_RNA) where: Base-Base interactions energy: -1056.620 where: short stacking energy: -407.689 Base-Backbone interact. energy: -0.803 local terms energy: -411.812436 where: bonds (distance) C4'-P energy: -69.698 bonds (distance) P-C4' energy: -69.907 flat angles C4'-P-C4' energy: -89.490 flat angles P-C4'-P energy: -64.358 tors. eta vs tors. theta energy: -118.360 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: 7 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1341.901840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.901840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.901840 (E_RNA) where: Base-Base interactions energy: -962.012 where: short stacking energy: -367.653 Base-Backbone interact. energy: -0.741 local terms energy: -379.149157 where: bonds (distance) C4'-P energy: -76.287 bonds (distance) P-C4' energy: -73.575 flat angles C4'-P-C4' energy: -78.487 flat angles P-C4'-P energy: -45.505 tors. eta vs tors. theta energy: -105.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1396.904280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.904280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.904280 (E_RNA) where: Base-Base interactions energy: -1008.806 where: short stacking energy: -397.821 Base-Backbone interact. energy: -0.434 local terms energy: -387.663779 where: bonds (distance) C4'-P energy: -76.903 bonds (distance) P-C4' energy: -61.340 flat angles C4'-P-C4' energy: -79.719 flat angles P-C4'-P energy: -53.584 tors. eta vs tors. theta energy: -116.118 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: 7, replica: 3 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1314.989421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.989421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.989421 (E_RNA) where: Base-Base interactions energy: -940.938 where: short stacking energy: -371.853 Base-Backbone interact. energy: -0.482 local terms energy: -373.569903 where: bonds (distance) C4'-P energy: -81.310 bonds (distance) P-C4' energy: -66.823 flat angles C4'-P-C4' energy: -66.289 flat angles P-C4'-P energy: -59.163 tors. eta vs tors. theta energy: -99.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1186.293922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.293922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.293922 (E_RNA) where: Base-Base interactions energy: -839.703 where: short stacking energy: -328.455 Base-Backbone interact. energy: -0.663 local terms energy: -345.927978 where: bonds (distance) C4'-P energy: -58.526 bonds (distance) P-C4' energy: -73.074 flat angles C4'-P-C4' energy: -70.705 flat angles P-C4'-P energy: -50.737 tors. eta vs tors. theta energy: -92.885 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: 8 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1128.604642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.604642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.604642 (E_RNA) where: Base-Base interactions energy: -806.244 where: short stacking energy: -324.754 Base-Backbone interact. energy: -1.047 local terms energy: -321.314280 where: bonds (distance) C4'-P energy: -64.490 bonds (distance) P-C4' energy: -59.696 flat angles C4'-P-C4' energy: -71.512 flat angles P-C4'-P energy: -38.625 tors. eta vs tors. theta energy: -86.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -976.519541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.519541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.519541 (E_RNA) where: Base-Base interactions energy: -674.270 where: short stacking energy: -266.428 Base-Backbone interact. energy: -2.606 local terms energy: -299.644325 where: bonds (distance) C4'-P energy: -62.429 bonds (distance) P-C4' energy: -59.381 flat angles C4'-P-C4' energy: -65.933 flat angles P-C4'-P energy: -45.237 tors. eta vs tors. theta energy: -66.665 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: 5 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1621.500871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.500871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.500871 (E_RNA) where: Base-Base interactions energy: -1183.836 where: short stacking energy: -457.038 Base-Backbone interact. energy: 0.192 local terms energy: -437.856925 where: bonds (distance) C4'-P energy: -70.582 bonds (distance) P-C4' energy: -75.581 flat angles C4'-P-C4' energy: -85.772 flat angles P-C4'-P energy: -75.811 tors. eta vs tors. theta energy: -130.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1584.543031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.543031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.543031 (E_RNA) where: Base-Base interactions energy: -1158.377 where: short stacking energy: -453.607 Base-Backbone interact. energy: -0.957 local terms energy: -425.209197 where: bonds (distance) C4'-P energy: -75.335 bonds (distance) P-C4' energy: -66.265 flat angles C4'-P-C4' energy: -91.045 flat angles P-C4'-P energy: -63.310 tors. eta vs tors. theta energy: -129.254 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: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1488.637099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.637099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.637099 (E_RNA) where: Base-Base interactions energy: -1096.809 where: short stacking energy: -419.378 Base-Backbone interact. energy: -0.566 local terms energy: -391.262162 where: bonds (distance) C4'-P energy: -66.634 bonds (distance) P-C4' energy: -64.976 flat angles C4'-P-C4' energy: -79.416 flat angles P-C4'-P energy: -65.811 tors. eta vs tors. theta energy: -114.426 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: 4, replica: 1 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1476.080012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.080012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.080012 (E_RNA) where: Base-Base interactions energy: -1072.501 where: short stacking energy: -432.918 Base-Backbone interact. energy: -0.645 local terms energy: -402.934341 where: bonds (distance) C4'-P energy: -77.064 bonds (distance) P-C4' energy: -59.248 flat angles C4'-P-C4' energy: -84.172 flat angles P-C4'-P energy: -54.869 tors. eta vs tors. theta energy: -127.581 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: 7 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1333.522960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.522960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.522960 (E_RNA) where: Base-Base interactions energy: -958.685 where: short stacking energy: -360.296 Base-Backbone interact. energy: -1.552 local terms energy: -373.285744 where: bonds (distance) C4'-P energy: -62.603 bonds (distance) P-C4' energy: -66.050 flat angles C4'-P-C4' energy: -87.621 flat angles P-C4'-P energy: -56.216 tors. eta vs tors. theta energy: -100.795 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: 10 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1420.859990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.859990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.859990 (E_RNA) where: Base-Base interactions energy: -1024.618 where: short stacking energy: -412.480 Base-Backbone interact. energy: 1.447 local terms energy: -397.688948 where: bonds (distance) C4'-P energy: -71.175 bonds (distance) P-C4' energy: -68.305 flat angles C4'-P-C4' energy: -83.462 flat angles P-C4'-P energy: -52.126 tors. eta vs tors. theta energy: -122.621 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: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1305.716550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.716550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.716550 (E_RNA) where: Base-Base interactions energy: -940.632 where: short stacking energy: -350.562 Base-Backbone interact. energy: -2.043 local terms energy: -363.041350 where: bonds (distance) C4'-P energy: -76.106 bonds (distance) P-C4' energy: -66.534 flat angles C4'-P-C4' energy: -75.004 flat angles P-C4'-P energy: -48.863 tors. eta vs tors. theta energy: -96.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1102.794299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.794299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.794299 (E_RNA) where: Base-Base interactions energy: -774.105 where: short stacking energy: -312.668 Base-Backbone interact. energy: 0.952 local terms energy: -329.640515 where: bonds (distance) C4'-P energy: -68.455 bonds (distance) P-C4' energy: -44.112 flat angles C4'-P-C4' energy: -82.112 flat angles P-C4'-P energy: -47.454 tors. eta vs tors. theta energy: -87.508 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: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1167.061747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.061747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.061747 (E_RNA) where: Base-Base interactions energy: -841.005 where: short stacking energy: -329.196 Base-Backbone interact. energy: -0.669 local terms energy: -325.387796 where: bonds (distance) C4'-P energy: -51.653 bonds (distance) P-C4' energy: -68.382 flat angles C4'-P-C4' energy: -69.208 flat angles P-C4'-P energy: -47.028 tors. eta vs tors. theta energy: -89.116 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: 10, replica: 4 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -1014.056937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.056937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.056937 (E_RNA) where: Base-Base interactions energy: -703.073 where: short stacking energy: -281.659 Base-Backbone interact. energy: 2.568 local terms energy: -313.552202 where: bonds (distance) C4'-P energy: -61.464 bonds (distance) P-C4' energy: -55.614 flat angles C4'-P-C4' energy: -70.052 flat angles P-C4'-P energy: -49.374 tors. eta vs tors. theta energy: -77.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1651.913207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.913207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.913207 (E_RNA) where: Base-Base interactions energy: -1193.769 where: short stacking energy: -464.793 Base-Backbone interact. energy: 1.160 local terms energy: -459.304879 where: bonds (distance) C4'-P energy: -88.572 bonds (distance) P-C4' energy: -70.486 flat angles C4'-P-C4' energy: -95.502 flat angles P-C4'-P energy: -67.561 tors. eta vs tors. theta energy: -137.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1565.963114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.963114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.963114 (E_RNA) where: Base-Base interactions energy: -1158.595 where: short stacking energy: -441.390 Base-Backbone interact. energy: 1.637 local terms energy: -409.005327 where: bonds (distance) C4'-P energy: -65.972 bonds (distance) P-C4' energy: -71.344 flat angles C4'-P-C4' energy: -87.344 flat angles P-C4'-P energy: -55.254 tors. eta vs tors. theta energy: -129.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1482.874164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.874164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.874164 (E_RNA) where: Base-Base interactions energy: -1096.907 where: short stacking energy: -412.291 Base-Backbone interact. energy: -2.798 local terms energy: -383.169221 where: bonds (distance) C4'-P energy: -69.624 bonds (distance) P-C4' energy: -67.696 flat angles C4'-P-C4' energy: -84.119 flat angles P-C4'-P energy: -48.466 tors. eta vs tors. theta energy: -113.263 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: 1 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1465.670687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.670687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.670687 (E_RNA) where: Base-Base interactions energy: -1064.424 where: short stacking energy: -409.583 Base-Backbone interact. energy: -0.099 local terms energy: -401.147595 where: bonds (distance) C4'-P energy: -69.006 bonds (distance) P-C4' energy: -73.101 flat angles C4'-P-C4' energy: -84.325 flat angles P-C4'-P energy: -61.266 tors. eta vs tors. theta energy: -113.450 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: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1429.445099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.445099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.445099 (E_RNA) where: Base-Base interactions energy: -1030.958 where: short stacking energy: -413.141 Base-Backbone interact. energy: -0.416 local terms energy: -398.071233 where: bonds (distance) C4'-P energy: -60.863 bonds (distance) P-C4' energy: -73.439 flat angles C4'-P-C4' energy: -82.977 flat angles P-C4'-P energy: -63.108 tors. eta vs tors. theta energy: -117.685 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: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1319.685583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.685583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.685583 (E_RNA) where: Base-Base interactions energy: -936.325 where: short stacking energy: -354.097 Base-Backbone interact. energy: -1.599 local terms energy: -381.762168 where: bonds (distance) C4'-P energy: -65.354 bonds (distance) P-C4' energy: -70.569 flat angles C4'-P-C4' energy: -81.614 flat angles P-C4'-P energy: -62.422 tors. eta vs tors. theta energy: -101.804 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: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1326.452759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.452759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.452759 (E_RNA) where: Base-Base interactions energy: -946.828 where: short stacking energy: -361.024 Base-Backbone interact. energy: -1.093 local terms energy: -378.531842 where: bonds (distance) C4'-P energy: -55.862 bonds (distance) P-C4' energy: -72.389 flat angles C4'-P-C4' energy: -80.549 flat angles P-C4'-P energy: -58.475 tors. eta vs tors. theta energy: -111.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1112.150037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.150037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.150037 (E_RNA) where: Base-Base interactions energy: -801.503 where: short stacking energy: -314.366 Base-Backbone interact. energy: -0.967 local terms energy: -309.679695 where: bonds (distance) C4'-P energy: -45.090 bonds (distance) P-C4' energy: -64.200 flat angles C4'-P-C4' energy: -66.838 flat angles P-C4'-P energy: -45.380 tors. eta vs tors. theta energy: -88.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1147.632141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.632141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.632141 (E_RNA) where: Base-Base interactions energy: -822.852 where: short stacking energy: -345.983 Base-Backbone interact. energy: 2.530 local terms energy: -327.309397 where: bonds (distance) C4'-P energy: -58.428 bonds (distance) P-C4' energy: -64.886 flat angles C4'-P-C4' energy: -71.096 flat angles P-C4'-P energy: -41.185 tors. eta vs tors. theta energy: -91.715 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: 4 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -1027.393525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.393525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.393525 (E_RNA) where: Base-Base interactions energy: -725.933 where: short stacking energy: -282.600 Base-Backbone interact. energy: -0.468 local terms energy: -300.992602 where: bonds (distance) C4'-P energy: -65.074 bonds (distance) P-C4' energy: -45.301 flat angles C4'-P-C4' energy: -71.211 flat angles P-C4'-P energy: -40.000 tors. eta vs tors. theta energy: -79.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1632.582549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.582549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.582549 (E_RNA) where: Base-Base interactions energy: -1205.575 where: short stacking energy: -464.203 Base-Backbone interact. energy: -0.641 local terms energy: -426.366138 where: bonds (distance) C4'-P energy: -68.079 bonds (distance) P-C4' energy: -75.968 flat angles C4'-P-C4' energy: -83.055 flat angles P-C4'-P energy: -62.722 tors. eta vs tors. theta energy: -136.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1565.456718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.456718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.456718 (E_RNA) where: Base-Base interactions energy: -1147.675 where: short stacking energy: -447.403 Base-Backbone interact. energy: -0.814 local terms energy: -416.967986 where: bonds (distance) C4'-P energy: -78.122 bonds (distance) P-C4' energy: -72.095 flat angles C4'-P-C4' energy: -80.277 flat angles P-C4'-P energy: -56.495 tors. eta vs tors. theta energy: -129.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1506.080303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.080303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.080303 (E_RNA) where: Base-Base interactions energy: -1094.634 where: short stacking energy: -417.055 Base-Backbone interact. energy: 3.540 local terms energy: -414.985894 where: bonds (distance) C4'-P energy: -74.821 bonds (distance) P-C4' energy: -74.504 flat angles C4'-P-C4' energy: -89.375 flat angles P-C4'-P energy: -61.855 tors. eta vs tors. theta energy: -114.430 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: 1 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1458.625208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.625208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.625208 (E_RNA) where: Base-Base interactions energy: -1051.209 where: short stacking energy: -387.941 Base-Backbone interact. energy: -1.265 local terms energy: -406.150762 where: bonds (distance) C4'-P energy: -75.690 bonds (distance) P-C4' energy: -83.627 flat angles C4'-P-C4' energy: -78.384 flat angles P-C4'-P energy: -60.292 tors. eta vs tors. theta energy: -108.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1465.051174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.051174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.051174 (E_RNA) where: Base-Base interactions energy: -1050.879 where: short stacking energy: -414.855 Base-Backbone interact. energy: -0.974 local terms energy: -413.198226 where: bonds (distance) C4'-P energy: -71.627 bonds (distance) P-C4' energy: -70.766 flat angles C4'-P-C4' energy: -87.840 flat angles P-C4'-P energy: -61.125 tors. eta vs tors. theta energy: -121.840 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: 7 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1313.966446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.966446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.966446 (E_RNA) where: Base-Base interactions energy: -936.779 where: short stacking energy: -364.143 Base-Backbone interact. energy: -0.865 local terms energy: -376.322334 where: bonds (distance) C4'-P energy: -65.174 bonds (distance) P-C4' energy: -71.595 flat angles C4'-P-C4' energy: -87.018 flat angles P-C4'-P energy: -52.230 tors. eta vs tors. theta energy: -100.306 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: 3 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1289.516118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.516118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.516118 (E_RNA) where: Base-Base interactions energy: -938.932 where: short stacking energy: -359.252 Base-Backbone interact. energy: 0.071 local terms energy: -350.654667 where: bonds (distance) C4'-P energy: -59.960 bonds (distance) P-C4' energy: -71.001 flat angles C4'-P-C4' energy: -73.988 flat angles P-C4'-P energy: -45.835 tors. eta vs tors. theta energy: -99.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1180.712752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.712752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.712752 (E_RNA) where: Base-Base interactions energy: -827.554 where: short stacking energy: -327.503 Base-Backbone interact. energy: -1.051 local terms energy: -352.107955 where: bonds (distance) C4'-P energy: -67.924 bonds (distance) P-C4' energy: -67.739 flat angles C4'-P-C4' energy: -82.246 flat angles P-C4'-P energy: -44.847 tors. eta vs tors. theta energy: -89.352 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: 8 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1094.418186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.418186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.418186 (E_RNA) where: Base-Base interactions energy: -777.685 where: short stacking energy: -303.543 Base-Backbone interact. energy: -0.442 local terms energy: -316.291289 where: bonds (distance) C4'-P energy: -60.303 bonds (distance) P-C4' energy: -51.182 flat angles C4'-P-C4' energy: -67.702 flat angles P-C4'-P energy: -53.463 tors. eta vs tors. theta energy: -83.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -1059.023572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.023572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.023572 (E_RNA) where: Base-Base interactions energy: -771.982 where: short stacking energy: -301.145 Base-Backbone interact. energy: -0.464 local terms energy: -286.577970 where: bonds (distance) C4'-P energy: -69.739 bonds (distance) P-C4' energy: -48.611 flat angles C4'-P-C4' energy: -63.159 flat angles P-C4'-P energy: -30.149 tors. eta vs tors. theta energy: -74.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1678.133333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.133333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.133333 (E_RNA) where: Base-Base interactions energy: -1222.657 where: short stacking energy: -487.931 Base-Backbone interact. energy: -1.925 local terms energy: -453.551252 where: bonds (distance) C4'-P energy: -80.883 bonds (distance) P-C4' energy: -72.538 flat angles C4'-P-C4' energy: -89.225 flat angles P-C4'-P energy: -71.056 tors. eta vs tors. theta energy: -139.850 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: 9 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1568.048910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.048910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.048910 (E_RNA) where: Base-Base interactions energy: -1143.878 where: short stacking energy: -437.562 Base-Backbone interact. energy: 1.602 local terms energy: -425.772909 where: bonds (distance) C4'-P energy: -75.010 bonds (distance) P-C4' energy: -80.983 flat angles C4'-P-C4' energy: -76.047 flat angles P-C4'-P energy: -62.506 tors. eta vs tors. theta energy: -131.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1510.266634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.266634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.266634 (E_RNA) where: Base-Base interactions energy: -1103.230 where: short stacking energy: -424.072 Base-Backbone interact. energy: 0.796 local terms energy: -407.832425 where: bonds (distance) C4'-P energy: -71.183 bonds (distance) P-C4' energy: -74.652 flat angles C4'-P-C4' energy: -80.494 flat angles P-C4'-P energy: -64.331 tors. eta vs tors. theta energy: -117.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1458.954174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.954174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.954174 (E_RNA) where: Base-Base interactions energy: -1067.798 where: short stacking energy: -426.663 Base-Backbone interact. energy: 0.462 local terms energy: -391.618277 where: bonds (distance) C4'-P energy: -67.492 bonds (distance) P-C4' energy: -66.920 flat angles C4'-P-C4' energy: -81.318 flat angles P-C4'-P energy: -58.869 tors. eta vs tors. theta energy: -117.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1461.901550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.901550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.901550 (E_RNA) where: Base-Base interactions energy: -1051.169 where: short stacking energy: -405.274 Base-Backbone interact. energy: -0.021 local terms energy: -410.711108 where: bonds (distance) C4'-P energy: -67.777 bonds (distance) P-C4' energy: -70.654 flat angles C4'-P-C4' energy: -87.046 flat angles P-C4'-P energy: -56.135 tors. eta vs tors. theta energy: -129.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1329.169876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.169876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.169876 (E_RNA) where: Base-Base interactions energy: -986.011 where: short stacking energy: -382.430 Base-Backbone interact. energy: 0.817 local terms energy: -343.975479 where: bonds (distance) C4'-P energy: -50.008 bonds (distance) P-C4' energy: -60.096 flat angles C4'-P-C4' energy: -80.657 flat angles P-C4'-P energy: -44.395 tors. eta vs tors. theta energy: -108.819 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: 3 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1294.807214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.807214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.807214 (E_RNA) where: Base-Base interactions energy: -922.794 where: short stacking energy: -381.264 Base-Backbone interact. energy: -1.416 local terms energy: -370.596607 where: bonds (distance) C4'-P energy: -59.920 bonds (distance) P-C4' energy: -75.633 flat angles C4'-P-C4' energy: -79.131 flat angles P-C4'-P energy: -48.396 tors. eta vs tors. theta energy: -107.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1206.072250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.072250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.072250 (E_RNA) where: Base-Base interactions energy: -852.050 where: short stacking energy: -339.552 Base-Backbone interact. energy: -1.411 local terms energy: -352.611353 where: bonds (distance) C4'-P energy: -55.130 bonds (distance) P-C4' energy: -64.420 flat angles C4'-P-C4' energy: -80.438 flat angles P-C4'-P energy: -51.452 tors. eta vs tors. theta energy: -101.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1092.083668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.083668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.083668 (E_RNA) where: Base-Base interactions energy: -765.628 where: short stacking energy: -296.324 Base-Backbone interact. energy: -1.345 local terms energy: -325.111271 where: bonds (distance) C4'-P energy: -63.562 bonds (distance) P-C4' energy: -69.720 flat angles C4'-P-C4' energy: -72.345 flat angles P-C4'-P energy: -44.747 tors. eta vs tors. theta energy: -74.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -1063.536101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.536101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.536101 (E_RNA) where: Base-Base interactions energy: -774.280 where: short stacking energy: -304.070 Base-Backbone interact. energy: 4.146 local terms energy: -293.401494 where: bonds (distance) C4'-P energy: -58.676 bonds (distance) P-C4' energy: -51.581 flat angles C4'-P-C4' energy: -71.033 flat angles P-C4'-P energy: -41.597 tors. eta vs tors. theta energy: -70.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1685.110435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.110435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.110435 (E_RNA) where: Base-Base interactions energy: -1233.792 where: short stacking energy: -479.997 Base-Backbone interact. energy: -0.586 local terms energy: -450.732219 where: bonds (distance) C4'-P energy: -75.987 bonds (distance) P-C4' energy: -71.774 flat angles C4'-P-C4' energy: -90.211 flat angles P-C4'-P energy: -69.715 tors. eta vs tors. theta energy: -143.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1565.070466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.070466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.070466 (E_RNA) where: Base-Base interactions energy: -1142.992 where: short stacking energy: -445.571 Base-Backbone interact. energy: 0.297 local terms energy: -422.375658 where: bonds (distance) C4'-P energy: -72.752 bonds (distance) P-C4' energy: -77.271 flat angles C4'-P-C4' energy: -81.962 flat angles P-C4'-P energy: -62.077 tors. eta vs tors. theta energy: -128.314 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: 6 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1485.827656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.827656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.827656 (E_RNA) where: Base-Base interactions energy: -1097.652 where: short stacking energy: -419.310 Base-Backbone interact. energy: 1.088 local terms energy: -389.263958 where: bonds (distance) C4'-P energy: -65.961 bonds (distance) P-C4' energy: -70.462 flat angles C4'-P-C4' energy: -78.787 flat angles P-C4'-P energy: -63.928 tors. eta vs tors. theta energy: -110.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1448.821958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.821958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.821958 (E_RNA) where: Base-Base interactions energy: -1039.492 where: short stacking energy: -420.560 Base-Backbone interact. energy: -1.975 local terms energy: -407.354912 where: bonds (distance) C4'-P energy: -72.411 bonds (distance) P-C4' energy: -77.906 flat angles C4'-P-C4' energy: -84.595 flat angles P-C4'-P energy: -60.367 tors. eta vs tors. theta energy: -112.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1448.809383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.809383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.809383 (E_RNA) where: Base-Base interactions energy: -1052.145 where: short stacking energy: -409.436 Base-Backbone interact. energy: 0.037 local terms energy: -396.701336 where: bonds (distance) C4'-P energy: -68.354 bonds (distance) P-C4' energy: -75.844 flat angles C4'-P-C4' energy: -75.717 flat angles P-C4'-P energy: -57.767 tors. eta vs tors. theta energy: -119.020 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: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1339.708181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.708181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.708181 (E_RNA) where: Base-Base interactions energy: -948.369 where: short stacking energy: -394.320 Base-Backbone interact. energy: -1.593 local terms energy: -389.745701 where: bonds (distance) C4'-P energy: -63.385 bonds (distance) P-C4' energy: -71.601 flat angles C4'-P-C4' energy: -88.062 flat angles P-C4'-P energy: -55.183 tors. eta vs tors. theta energy: -111.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1296.235198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.235198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.235198 (E_RNA) where: Base-Base interactions energy: -953.867 where: short stacking energy: -363.222 Base-Backbone interact. energy: -2.380 local terms energy: -339.988682 where: bonds (distance) C4'-P energy: -61.211 bonds (distance) P-C4' energy: -54.642 flat angles C4'-P-C4' energy: -75.737 flat angles P-C4'-P energy: -45.674 tors. eta vs tors. theta energy: -102.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1160.054491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.054491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.054491 (E_RNA) where: Base-Base interactions energy: -823.945 where: short stacking energy: -338.262 Base-Backbone interact. energy: -1.899 local terms energy: -334.210382 where: bonds (distance) C4'-P energy: -66.323 bonds (distance) P-C4' energy: -58.462 flat angles C4'-P-C4' energy: -69.218 flat angles P-C4'-P energy: -48.441 tors. eta vs tors. theta energy: -91.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1068.454371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.454371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.454371 (E_RNA) where: Base-Base interactions energy: -755.898 where: short stacking energy: -297.935 Base-Backbone interact. energy: -1.318 local terms energy: -311.238360 where: bonds (distance) C4'-P energy: -59.572 bonds (distance) P-C4' energy: -67.398 flat angles C4'-P-C4' energy: -79.344 flat angles P-C4'-P energy: -34.115 tors. eta vs tors. theta energy: -70.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -1041.163004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.163004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.163004 (E_RNA) where: Base-Base interactions energy: -729.424 where: short stacking energy: -297.435 Base-Backbone interact. energy: 3.179 local terms energy: -314.918201 where: bonds (distance) C4'-P energy: -63.268 bonds (distance) P-C4' energy: -52.047 flat angles C4'-P-C4' energy: -68.262 flat angles P-C4'-P energy: -44.345 tors. eta vs tors. theta energy: -86.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1665.234152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.234152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.234152 (E_RNA) where: Base-Base interactions energy: -1207.338 where: short stacking energy: -476.496 Base-Backbone interact. energy: -0.433 local terms energy: -457.463535 where: bonds (distance) C4'-P energy: -76.709 bonds (distance) P-C4' energy: -77.879 flat angles C4'-P-C4' energy: -92.172 flat angles P-C4'-P energy: -66.156 tors. eta vs tors. theta energy: -144.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1568.863299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.863299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.863299 (E_RNA) where: Base-Base interactions energy: -1148.231 where: short stacking energy: -451.439 Base-Backbone interact. energy: 1.919 local terms energy: -422.552188 where: bonds (distance) C4'-P energy: -73.287 bonds (distance) P-C4' energy: -71.813 flat angles C4'-P-C4' energy: -87.475 flat angles P-C4'-P energy: -63.634 tors. eta vs tors. theta energy: -126.343 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: 6 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1520.938944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.938944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.938944 (E_RNA) where: Base-Base interactions energy: -1112.587 where: short stacking energy: -418.769 Base-Backbone interact. energy: -1.083 local terms energy: -407.268841 where: bonds (distance) C4'-P energy: -71.623 bonds (distance) P-C4' energy: -76.199 flat angles C4'-P-C4' energy: -83.704 flat angles P-C4'-P energy: -60.169 tors. eta vs tors. theta energy: -115.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1449.976070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.976070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.976070 (E_RNA) where: Base-Base interactions energy: -1045.521 where: short stacking energy: -410.054 Base-Backbone interact. energy: -0.149 local terms energy: -404.306202 where: bonds (distance) C4'-P energy: -65.563 bonds (distance) P-C4' energy: -82.503 flat angles C4'-P-C4' energy: -89.607 flat angles P-C4'-P energy: -48.946 tors. eta vs tors. theta energy: -117.687 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: 10 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1450.578808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.578808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.578808 (E_RNA) where: Base-Base interactions energy: -1042.836 where: short stacking energy: -394.697 Base-Backbone interact. energy: -1.043 local terms energy: -406.699458 where: bonds (distance) C4'-P energy: -73.194 bonds (distance) P-C4' energy: -74.717 flat angles C4'-P-C4' energy: -85.620 flat angles P-C4'-P energy: -53.455 tors. eta vs tors. theta energy: -119.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1326.231093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.231093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.231093 (E_RNA) where: Base-Base interactions energy: -955.330 where: short stacking energy: -366.290 Base-Backbone interact. energy: -0.405 local terms energy: -370.496183 where: bonds (distance) C4'-P energy: -67.635 bonds (distance) P-C4' energy: -54.253 flat angles C4'-P-C4' energy: -81.752 flat angles P-C4'-P energy: -56.300 tors. eta vs tors. theta energy: -110.556 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: 7 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1283.007127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.007127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.007127 (E_RNA) where: Base-Base interactions energy: -912.388 where: short stacking energy: -336.293 Base-Backbone interact. energy: -1.691 local terms energy: -368.927992 where: bonds (distance) C4'-P energy: -70.829 bonds (distance) P-C4' energy: -64.278 flat angles C4'-P-C4' energy: -81.085 flat angles P-C4'-P energy: -54.313 tors. eta vs tors. theta energy: -98.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1188.518592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.518592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.518592 (E_RNA) where: Base-Base interactions energy: -822.605 where: short stacking energy: -350.850 Base-Backbone interact. energy: 0.986 local terms energy: -366.899936 where: bonds (distance) C4'-P energy: -71.485 bonds (distance) P-C4' energy: -68.041 flat angles C4'-P-C4' energy: -78.426 flat angles P-C4'-P energy: -42.005 tors. eta vs tors. theta energy: -106.942 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: 9, replica: 8 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1075.338208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.338208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.338208 (E_RNA) where: Base-Base interactions energy: -752.441 where: short stacking energy: -295.866 Base-Backbone interact. energy: -1.353 local terms energy: -321.544850 where: bonds (distance) C4'-P energy: -59.233 bonds (distance) P-C4' energy: -69.284 flat angles C4'-P-C4' energy: -71.488 flat angles P-C4'-P energy: -46.783 tors. eta vs tors. theta energy: -74.756 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: 4 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -990.212344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.212344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.212344 (E_RNA) where: Base-Base interactions energy: -727.335 where: short stacking energy: -280.293 Base-Backbone interact. energy: 2.475 local terms energy: -265.351879 where: bonds (distance) C4'-P energy: -58.350 bonds (distance) P-C4' energy: -53.772 flat angles C4'-P-C4' energy: -54.721 flat angles P-C4'-P energy: -34.471 tors. eta vs tors. theta energy: -64.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1672.138519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.138519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.138519 (E_RNA) where: Base-Base interactions energy: -1213.375 where: short stacking energy: -467.952 Base-Backbone interact. energy: -0.443 local terms energy: -458.321343 where: bonds (distance) C4'-P energy: -79.776 bonds (distance) P-C4' energy: -79.334 flat angles C4'-P-C4' energy: -94.099 flat angles P-C4'-P energy: -63.353 tors. eta vs tors. theta energy: -141.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1565.444901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.444901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.444901 (E_RNA) where: Base-Base interactions energy: -1137.294 where: short stacking energy: -432.998 Base-Backbone interact. energy: 0.688 local terms energy: -428.839020 where: bonds (distance) C4'-P energy: -74.994 bonds (distance) P-C4' energy: -73.419 flat angles C4'-P-C4' energy: -89.772 flat angles P-C4'-P energy: -67.141 tors. eta vs tors. theta energy: -123.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1511.765889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.765889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.765889 (E_RNA) where: Base-Base interactions energy: -1108.866 where: short stacking energy: -414.465 Base-Backbone interact. energy: -3.168 local terms energy: -399.731961 where: bonds (distance) C4'-P energy: -76.193 bonds (distance) P-C4' energy: -64.285 flat angles C4'-P-C4' energy: -88.950 flat angles P-C4'-P energy: -53.872 tors. eta vs tors. theta energy: -116.432 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: 4, replica: 10 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1499.952729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.952729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.952729 (E_RNA) where: Base-Base interactions energy: -1090.274 where: short stacking energy: -427.119 Base-Backbone interact. energy: 0.364 local terms energy: -410.043034 where: bonds (distance) C4'-P energy: -65.890 bonds (distance) P-C4' energy: -74.602 flat angles C4'-P-C4' energy: -81.349 flat angles P-C4'-P energy: -63.511 tors. eta vs tors. theta energy: -124.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1445.685277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.685277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.685277 (E_RNA) where: Base-Base interactions energy: -1041.580 where: short stacking energy: -397.471 Base-Backbone interact. energy: -1.797 local terms energy: -402.307783 where: bonds (distance) C4'-P energy: -74.378 bonds (distance) P-C4' energy: -58.689 flat angles C4'-P-C4' energy: -90.249 flat angles P-C4'-P energy: -62.333 tors. eta vs tors. theta energy: -116.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1327.539748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.539748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.539748 (E_RNA) where: Base-Base interactions energy: -955.106 where: short stacking energy: -356.983 Base-Backbone interact. energy: -0.338 local terms energy: -372.096099 where: bonds (distance) C4'-P energy: -67.961 bonds (distance) P-C4' energy: -71.138 flat angles C4'-P-C4' energy: -77.390 flat angles P-C4'-P energy: -50.234 tors. eta vs tors. theta energy: -105.374 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: 117 Temperature: 1.200000 Total energy: -1304.237336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.237336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.237336 (E_RNA) where: Base-Base interactions energy: -931.086 where: short stacking energy: -377.063 Base-Backbone interact. energy: 1.337 local terms energy: -374.488021 where: bonds (distance) C4'-P energy: -69.222 bonds (distance) P-C4' energy: -59.662 flat angles C4'-P-C4' energy: -80.498 flat angles P-C4'-P energy: -61.245 tors. eta vs tors. theta energy: -103.862 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: 117 Temperature: 1.250000 Total energy: -1188.095744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.095744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.095744 (E_RNA) where: Base-Base interactions energy: -842.557 where: short stacking energy: -321.341 Base-Backbone interact. energy: 2.971 local terms energy: -348.510041 where: bonds (distance) C4'-P energy: -65.215 bonds (distance) P-C4' energy: -68.129 flat angles C4'-P-C4' energy: -75.416 flat angles P-C4'-P energy: -51.472 tors. eta vs tors. theta energy: -88.277 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: 8 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1100.009656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.009656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.009656 (E_RNA) where: Base-Base interactions energy: -752.991 where: short stacking energy: -296.621 Base-Backbone interact. energy: -0.772 local terms energy: -346.246019 where: bonds (distance) C4'-P energy: -68.692 bonds (distance) P-C4' energy: -72.590 flat angles C4'-P-C4' energy: -70.904 flat angles P-C4'-P energy: -52.133 tors. eta vs tors. theta energy: -81.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -1010.302767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.302767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.302767 (E_RNA) where: Base-Base interactions energy: -695.360 where: short stacking energy: -278.666 Base-Backbone interact. energy: -0.947 local terms energy: -313.995750 where: bonds (distance) C4'-P energy: -56.588 bonds (distance) P-C4' energy: -73.871 flat angles C4'-P-C4' energy: -79.528 flat angles P-C4'-P energy: -38.111 tors. eta vs tors. theta energy: -65.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1667.696023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.696023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.696023 (E_RNA) where: Base-Base interactions energy: -1207.301 where: short stacking energy: -472.073 Base-Backbone interact. energy: -0.677 local terms energy: -459.718241 where: bonds (distance) C4'-P energy: -80.488 bonds (distance) P-C4' energy: -83.198 flat angles C4'-P-C4' energy: -86.903 flat angles P-C4'-P energy: -71.219 tors. eta vs tors. theta energy: -137.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1566.868224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.868224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.868224 (E_RNA) where: Base-Base interactions energy: -1143.123 where: short stacking energy: -435.628 Base-Backbone interact. energy: -0.119 local terms energy: -423.625953 where: bonds (distance) C4'-P energy: -66.537 bonds (distance) P-C4' energy: -80.694 flat angles C4'-P-C4' energy: -86.321 flat angles P-C4'-P energy: -64.090 tors. eta vs tors. theta energy: -125.983 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: 10 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1518.515868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.515868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.515868 (E_RNA) where: Base-Base interactions energy: -1086.595 where: short stacking energy: -424.039 Base-Backbone interact. energy: -0.875 local terms energy: -431.046110 where: bonds (distance) C4'-P energy: -72.368 bonds (distance) P-C4' energy: -74.303 flat angles C4'-P-C4' energy: -88.412 flat angles P-C4'-P energy: -65.305 tors. eta vs tors. theta energy: -130.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1471.638783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.638783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.638783 (E_RNA) where: Base-Base interactions energy: -1075.194 where: short stacking energy: -404.598 Base-Backbone interact. energy: -2.727 local terms energy: -393.717925 where: bonds (distance) C4'-P energy: -71.129 bonds (distance) P-C4' energy: -80.204 flat angles C4'-P-C4' energy: -76.836 flat angles P-C4'-P energy: -50.663 tors. eta vs tors. theta energy: -114.886 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: 1 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1410.166903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.166903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.166903 (E_RNA) where: Base-Base interactions energy: -1014.947 where: short stacking energy: -385.457 Base-Backbone interact. energy: 2.521 local terms energy: -397.740561 where: bonds (distance) C4'-P energy: -66.099 bonds (distance) P-C4' energy: -65.155 flat angles C4'-P-C4' energy: -91.846 flat angles P-C4'-P energy: -58.917 tors. eta vs tors. theta energy: -115.724 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: 7 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1291.142651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.142651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.142651 (E_RNA) where: Base-Base interactions energy: -925.827 where: short stacking energy: -372.147 Base-Backbone interact. energy: -1.897 local terms energy: -363.419109 where: bonds (distance) C4'-P energy: -71.356 bonds (distance) P-C4' energy: -69.455 flat angles C4'-P-C4' energy: -78.486 flat angles P-C4'-P energy: -38.448 tors. eta vs tors. theta energy: -105.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1283.981059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.981059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.981059 (E_RNA) where: Base-Base interactions energy: -922.774 where: short stacking energy: -365.864 Base-Backbone interact. energy: 0.986 local terms energy: -362.192477 where: bonds (distance) C4'-P energy: -58.683 bonds (distance) P-C4' energy: -68.451 flat angles C4'-P-C4' energy: -79.800 flat angles P-C4'-P energy: -49.300 tors. eta vs tors. theta energy: -105.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1161.043797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.043797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.043797 (E_RNA) where: Base-Base interactions energy: -799.107 where: short stacking energy: -318.388 Base-Backbone interact. energy: -1.257 local terms energy: -360.679276 where: bonds (distance) C4'-P energy: -69.888 bonds (distance) P-C4' energy: -76.029 flat angles C4'-P-C4' energy: -82.339 flat angles P-C4'-P energy: -45.314 tors. eta vs tors. theta energy: -87.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1066.967736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.967736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.967736 (E_RNA) where: Base-Base interactions energy: -762.438 where: short stacking energy: -305.188 Base-Backbone interact. energy: 0.642 local terms energy: -305.172463 where: bonds (distance) C4'-P energy: -58.898 bonds (distance) P-C4' energy: -56.830 flat angles C4'-P-C4' energy: -62.052 flat angles P-C4'-P energy: -48.505 tors. eta vs tors. theta energy: -78.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -1048.466335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.466335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.466335 (E_RNA) where: Base-Base interactions energy: -737.485 where: short stacking energy: -283.950 Base-Backbone interact. energy: -1.609 local terms energy: -309.371818 where: bonds (distance) C4'-P energy: -58.807 bonds (distance) P-C4' energy: -53.509 flat angles C4'-P-C4' energy: -72.609 flat angles P-C4'-P energy: -51.461 tors. eta vs tors. theta energy: -72.986 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: 1, replica: 5 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1673.395419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.395419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.395419 (E_RNA) where: Base-Base interactions energy: -1213.536 where: short stacking energy: -463.417 Base-Backbone interact. energy: -0.683 local terms energy: -459.176351 where: bonds (distance) C4'-P energy: -74.463 bonds (distance) P-C4' energy: -74.883 flat angles C4'-P-C4' energy: -94.759 flat angles P-C4'-P energy: -68.917 tors. eta vs tors. theta energy: -146.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1579.193651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.193651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.193651 (E_RNA) where: Base-Base interactions energy: -1161.499 where: short stacking energy: -441.272 Base-Backbone interact. energy: -2.318 local terms energy: -415.376628 where: bonds (distance) C4'-P energy: -69.094 bonds (distance) P-C4' energy: -75.619 flat angles C4'-P-C4' energy: -88.284 flat angles P-C4'-P energy: -47.752 tors. eta vs tors. theta energy: -134.628 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: 10 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1522.833863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.833863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.833863 (E_RNA) where: Base-Base interactions energy: -1111.295 where: short stacking energy: -437.747 Base-Backbone interact. energy: -0.864 local terms energy: -410.674870 where: bonds (distance) C4'-P energy: -67.570 bonds (distance) P-C4' energy: -65.522 flat angles C4'-P-C4' energy: -89.528 flat angles P-C4'-P energy: -56.638 tors. eta vs tors. theta energy: -131.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1467.286544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.286544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.286544 (E_RNA) where: Base-Base interactions energy: -1095.228 where: short stacking energy: -406.956 Base-Backbone interact. energy: 1.427 local terms energy: -373.485937 where: bonds (distance) C4'-P energy: -50.964 bonds (distance) P-C4' energy: -64.509 flat angles C4'-P-C4' energy: -82.340 flat angles P-C4'-P energy: -61.441 tors. eta vs tors. theta energy: -114.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1420.222509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.222509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.222509 (E_RNA) where: Base-Base interactions energy: -1026.057 where: short stacking energy: -402.289 Base-Backbone interact. energy: -1.182 local terms energy: -392.983616 where: bonds (distance) C4'-P energy: -77.906 bonds (distance) P-C4' energy: -70.691 flat angles C4'-P-C4' energy: -77.035 flat angles P-C4'-P energy: -55.964 tors. eta vs tors. theta energy: -111.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1319.945638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.945638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.945638 (E_RNA) where: Base-Base interactions energy: -944.724 where: short stacking energy: -368.830 Base-Backbone interact. energy: -0.809 local terms energy: -374.413122 where: bonds (distance) C4'-P energy: -69.196 bonds (distance) P-C4' energy: -74.630 flat angles C4'-P-C4' energy: -81.729 flat angles P-C4'-P energy: -51.410 tors. eta vs tors. theta energy: -97.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1303.444087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.444087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.444087 (E_RNA) where: Base-Base interactions energy: -946.192 where: short stacking energy: -371.342 Base-Backbone interact. energy: -0.696 local terms energy: -356.555915 where: bonds (distance) C4'-P energy: -56.161 bonds (distance) P-C4' energy: -64.943 flat angles C4'-P-C4' energy: -74.574 flat angles P-C4'-P energy: -49.535 tors. eta vs tors. theta energy: -111.343 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: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1179.115051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.115051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.115051 (E_RNA) where: Base-Base interactions energy: -854.712 where: short stacking energy: -341.745 Base-Backbone interact. energy: 1.037 local terms energy: -325.440713 where: bonds (distance) C4'-P energy: -43.767 bonds (distance) P-C4' energy: -57.478 flat angles C4'-P-C4' energy: -76.846 flat angles P-C4'-P energy: -46.953 tors. eta vs tors. theta energy: -100.397 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: 8 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1092.524133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.524133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.524133 (E_RNA) where: Base-Base interactions energy: -751.715 where: short stacking energy: -304.716 Base-Backbone interact. energy: -1.713 local terms energy: -339.096289 where: bonds (distance) C4'-P energy: -73.070 bonds (distance) P-C4' energy: -67.578 flat angles C4'-P-C4' energy: -65.109 flat angles P-C4'-P energy: -45.554 tors. eta vs tors. theta energy: -87.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -1098.652302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.652302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.652302 (E_RNA) where: Base-Base interactions energy: -792.853 where: short stacking energy: -312.343 Base-Backbone interact. energy: -1.570 local terms energy: -304.229658 where: bonds (distance) C4'-P energy: -57.996 bonds (distance) P-C4' energy: -51.617 flat angles C4'-P-C4' energy: -77.556 flat angles P-C4'-P energy: -33.864 tors. eta vs tors. theta energy: -83.196 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: 1, replica: 5 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1670.416075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.416075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.416075 (E_RNA) where: Base-Base interactions energy: -1218.797 where: short stacking energy: -476.310 Base-Backbone interact. energy: -0.318 local terms energy: -451.301139 where: bonds (distance) C4'-P energy: -77.032 bonds (distance) P-C4' energy: -73.682 flat angles C4'-P-C4' energy: -90.906 flat angles P-C4'-P energy: -68.400 tors. eta vs tors. theta energy: -141.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1583.854004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.854004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.854004 (E_RNA) where: Base-Base interactions energy: -1156.897 where: short stacking energy: -440.275 Base-Backbone interact. energy: -1.570 local terms energy: -425.386994 where: bonds (distance) C4'-P energy: -64.752 bonds (distance) P-C4' energy: -76.134 flat angles C4'-P-C4' energy: -88.382 flat angles P-C4'-P energy: -68.997 tors. eta vs tors. theta energy: -127.122 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: 6 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1517.346537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.346537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.346537 (E_RNA) where: Base-Base interactions energy: -1113.414 where: short stacking energy: -422.379 Base-Backbone interact. energy: -0.810 local terms energy: -403.122013 where: bonds (distance) C4'-P energy: -67.856 bonds (distance) P-C4' energy: -72.220 flat angles C4'-P-C4' energy: -81.805 flat angles P-C4'-P energy: -61.412 tors. eta vs tors. theta energy: -119.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1507.505357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.505357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.505357 (E_RNA) where: Base-Base interactions energy: -1097.829 where: short stacking energy: -432.603 Base-Backbone interact. energy: -0.783 local terms energy: -408.893357 where: bonds (distance) C4'-P energy: -67.795 bonds (distance) P-C4' energy: -65.211 flat angles C4'-P-C4' energy: -84.656 flat angles P-C4'-P energy: -65.669 tors. eta vs tors. theta energy: -125.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1416.977119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.977119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.977119 (E_RNA) where: Base-Base interactions energy: -1021.226 where: short stacking energy: -410.966 Base-Backbone interact. energy: 2.356 local terms energy: -398.107587 where: bonds (distance) C4'-P energy: -66.143 bonds (distance) P-C4' energy: -82.955 flat angles C4'-P-C4' energy: -74.295 flat angles P-C4'-P energy: -61.689 tors. eta vs tors. theta energy: -113.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1289.700642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.700642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.700642 (E_RNA) where: Base-Base interactions energy: -907.738 where: short stacking energy: -360.637 Base-Backbone interact. energy: 0.455 local terms energy: -382.417684 where: bonds (distance) C4'-P energy: -78.360 bonds (distance) P-C4' energy: -65.505 flat angles C4'-P-C4' energy: -79.269 flat angles P-C4'-P energy: -53.837 tors. eta vs tors. theta energy: -105.447 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: 3 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1275.083914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.083914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.083914 (E_RNA) where: Base-Base interactions energy: -911.359 where: short stacking energy: -356.370 Base-Backbone interact. energy: 1.312 local terms energy: -365.036914 where: bonds (distance) C4'-P energy: -64.056 bonds (distance) P-C4' energy: -53.870 flat angles C4'-P-C4' energy: -78.576 flat angles P-C4'-P energy: -57.934 tors. eta vs tors. theta energy: -110.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1221.814440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.814440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.814440 (E_RNA) where: Base-Base interactions energy: -898.167 where: short stacking energy: -371.276 Base-Backbone interact. energy: 2.127 local terms energy: -325.773922 where: bonds (distance) C4'-P energy: -61.490 bonds (distance) P-C4' energy: -51.829 flat angles C4'-P-C4' energy: -71.962 flat angles P-C4'-P energy: -40.902 tors. eta vs tors. theta energy: -99.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1086.411370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.411370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.411370 (E_RNA) where: Base-Base interactions energy: -748.110 where: short stacking energy: -293.225 Base-Backbone interact. energy: -1.750 local terms energy: -336.551635 where: bonds (distance) C4'-P energy: -72.044 bonds (distance) P-C4' energy: -63.926 flat angles C4'-P-C4' energy: -65.886 flat angles P-C4'-P energy: -49.079 tors. eta vs tors. theta energy: -85.617 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: 10, replica: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -1107.972350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.972350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.972350 (E_RNA) where: Base-Base interactions energy: -805.187 where: short stacking energy: -326.535 Base-Backbone interact. energy: -1.785 local terms energy: -300.999911 where: bonds (distance) C4'-P energy: -49.136 bonds (distance) P-C4' energy: -62.030 flat angles C4'-P-C4' energy: -64.628 flat angles P-C4'-P energy: -38.256 tors. eta vs tors. theta energy: -86.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1665.694307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.694307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.694307 (E_RNA) where: Base-Base interactions energy: -1204.569 where: short stacking energy: -475.112 Base-Backbone interact. energy: -0.469 local terms energy: -460.656494 where: bonds (distance) C4'-P energy: -74.184 bonds (distance) P-C4' energy: -84.753 flat angles C4'-P-C4' energy: -94.340 flat angles P-C4'-P energy: -60.703 tors. eta vs tors. theta energy: -146.676 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: 121 Temperature: 0.950000 Total energy: -1576.320060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.320060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.320060 (E_RNA) where: Base-Base interactions energy: -1153.378 where: short stacking energy: -424.363 Base-Backbone interact. energy: 2.505 local terms energy: -425.447753 where: bonds (distance) C4'-P energy: -81.635 bonds (distance) P-C4' energy: -73.780 flat angles C4'-P-C4' energy: -83.158 flat angles P-C4'-P energy: -57.829 tors. eta vs tors. theta energy: -129.046 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: 6 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1493.297702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.297702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.297702 (E_RNA) where: Base-Base interactions energy: -1094.478 where: short stacking energy: -412.042 Base-Backbone interact. energy: 0.442 local terms energy: -399.262019 where: bonds (distance) C4'-P energy: -68.795 bonds (distance) P-C4' energy: -77.761 flat angles C4'-P-C4' energy: -83.177 flat angles P-C4'-P energy: -58.205 tors. eta vs tors. theta energy: -111.324 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: 10 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1516.121288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.121288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.121288 (E_RNA) where: Base-Base interactions energy: -1109.690 where: short stacking energy: -434.433 Base-Backbone interact. energy: -0.549 local terms energy: -405.882032 where: bonds (distance) C4'-P energy: -56.567 bonds (distance) P-C4' energy: -68.598 flat angles C4'-P-C4' energy: -86.429 flat angles P-C4'-P energy: -62.552 tors. eta vs tors. theta energy: -131.736 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: 1 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1434.800485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.800485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.800485 (E_RNA) where: Base-Base interactions energy: -1043.969 where: short stacking energy: -402.860 Base-Backbone interact. energy: 3.254 local terms energy: -394.085736 where: bonds (distance) C4'-P energy: -67.600 bonds (distance) P-C4' energy: -75.296 flat angles C4'-P-C4' energy: -79.779 flat angles P-C4'-P energy: -56.598 tors. eta vs tors. theta energy: -114.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1303.915929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.915929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.915929 (E_RNA) where: Base-Base interactions energy: -929.498 where: short stacking energy: -384.843 Base-Backbone interact. energy: -0.397 local terms energy: -374.020744 where: bonds (distance) C4'-P energy: -53.438 bonds (distance) P-C4' energy: -69.674 flat angles C4'-P-C4' energy: -80.984 flat angles P-C4'-P energy: -54.210 tors. eta vs tors. theta energy: -115.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1276.337226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.337226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.337226 (E_RNA) where: Base-Base interactions energy: -912.976 where: short stacking energy: -338.346 Base-Backbone interact. energy: 0.478 local terms energy: -363.838652 where: bonds (distance) C4'-P energy: -75.173 bonds (distance) P-C4' energy: -63.591 flat angles C4'-P-C4' energy: -75.153 flat angles P-C4'-P energy: -53.164 tors. eta vs tors. theta energy: -96.757 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: 8, replica: 2 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1218.979204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.979204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.979204 (E_RNA) where: Base-Base interactions energy: -876.186 where: short stacking energy: -351.654 Base-Backbone interact. energy: -0.267 local terms energy: -342.526924 where: bonds (distance) C4'-P energy: -58.792 bonds (distance) P-C4' energy: -60.419 flat angles C4'-P-C4' energy: -72.634 flat angles P-C4'-P energy: -52.308 tors. eta vs tors. theta energy: -98.375 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: 8 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1081.731425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.731425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.731425 (E_RNA) where: Base-Base interactions energy: -769.320 where: short stacking energy: -304.962 Base-Backbone interact. energy: 4.612 local terms energy: -317.023152 where: bonds (distance) C4'-P energy: -58.042 bonds (distance) P-C4' energy: -63.339 flat angles C4'-P-C4' energy: -74.306 flat angles P-C4'-P energy: -40.677 tors. eta vs tors. theta energy: -80.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -1099.475067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.475067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.475067 (E_RNA) where: Base-Base interactions energy: -782.244 where: short stacking energy: -317.091 Base-Backbone interact. energy: -0.370 local terms energy: -316.861114 where: bonds (distance) C4'-P energy: -62.145 bonds (distance) P-C4' energy: -62.599 flat angles C4'-P-C4' energy: -60.212 flat angles P-C4'-P energy: -48.217 tors. eta vs tors. theta energy: -83.689 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: 1, replica: 5 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1667.770822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.770822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.770822 (E_RNA) where: Base-Base interactions energy: -1205.727 where: short stacking energy: -479.203 Base-Backbone interact. energy: -0.469 local terms energy: -461.574779 where: bonds (distance) C4'-P energy: -74.977 bonds (distance) P-C4' energy: -79.667 flat angles C4'-P-C4' energy: -96.226 flat angles P-C4'-P energy: -69.726 tors. eta vs tors. theta energy: -140.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1579.739897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.739897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.739897 (E_RNA) where: Base-Base interactions energy: -1157.962 where: short stacking energy: -434.755 Base-Backbone interact. energy: 0.162 local terms energy: -421.940094 where: bonds (distance) C4'-P energy: -65.247 bonds (distance) P-C4' energy: -66.639 flat angles C4'-P-C4' energy: -92.680 flat angles P-C4'-P energy: -69.220 tors. eta vs tors. theta energy: -128.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1565.290144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.290144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.290144 (E_RNA) where: Base-Base interactions energy: -1124.728 where: short stacking energy: -439.290 Base-Backbone interact. energy: -3.298 local terms energy: -437.263798 where: bonds (distance) C4'-P energy: -74.332 bonds (distance) P-C4' energy: -74.917 flat angles C4'-P-C4' energy: -87.157 flat angles P-C4'-P energy: -67.628 tors. eta vs tors. theta energy: -133.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1471.389344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.389344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.389344 (E_RNA) where: Base-Base interactions energy: -1074.022 where: short stacking energy: -408.949 Base-Backbone interact. energy: -3.166 local terms energy: -394.201071 where: bonds (distance) C4'-P energy: -71.521 bonds (distance) P-C4' energy: -71.197 flat angles C4'-P-C4' energy: -84.647 flat angles P-C4'-P energy: -60.844 tors. eta vs tors. theta energy: -105.992 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: 1 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1440.550695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.550695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.550695 (E_RNA) where: Base-Base interactions energy: -1068.441 where: short stacking energy: -415.480 Base-Backbone interact. energy: -1.006 local terms energy: -371.103629 where: bonds (distance) C4'-P energy: -58.504 bonds (distance) P-C4' energy: -61.987 flat angles C4'-P-C4' energy: -80.407 flat angles P-C4'-P energy: -53.254 tors. eta vs tors. theta energy: -116.952 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: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1312.101183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.101183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.101183 (E_RNA) where: Base-Base interactions energy: -935.796 where: short stacking energy: -376.991 Base-Backbone interact. energy: 0.324 local terms energy: -376.629118 where: bonds (distance) C4'-P energy: -55.272 bonds (distance) P-C4' energy: -70.243 flat angles C4'-P-C4' energy: -81.229 flat angles P-C4'-P energy: -54.774 tors. eta vs tors. theta energy: -115.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1258.130455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.130455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.130455 (E_RNA) where: Base-Base interactions energy: -875.076 where: short stacking energy: -359.213 Base-Backbone interact. energy: 0.474 local terms energy: -383.527973 where: bonds (distance) C4'-P energy: -71.194 bonds (distance) P-C4' energy: -59.395 flat angles C4'-P-C4' energy: -89.743 flat angles P-C4'-P energy: -58.912 tors. eta vs tors. theta energy: -104.284 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: 122 Temperature: 1.250000 Total energy: -1244.924986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.924986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.924986 (E_RNA) where: Base-Base interactions energy: -887.916 where: short stacking energy: -344.795 Base-Backbone interact. energy: 2.577 local terms energy: -359.585593 where: bonds (distance) C4'-P energy: -58.960 bonds (distance) P-C4' energy: -76.350 flat angles C4'-P-C4' energy: -76.847 flat angles P-C4'-P energy: -48.721 tors. eta vs tors. theta energy: -98.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1091.754385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.754385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.754385 (E_RNA) where: Base-Base interactions energy: -791.233 where: short stacking energy: -322.059 Base-Backbone interact. energy: 0.681 local terms energy: -301.201697 where: bonds (distance) C4'-P energy: -48.496 bonds (distance) P-C4' energy: -56.956 flat angles C4'-P-C4' energy: -63.887 flat angles P-C4'-P energy: -35.196 tors. eta vs tors. theta energy: -96.668 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: 10, replica: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -1085.133757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.133757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.133757 (E_RNA) where: Base-Base interactions energy: -757.530 where: short stacking energy: -304.167 Base-Backbone interact. energy: -0.419 local terms energy: -327.184400 where: bonds (distance) C4'-P energy: -70.387 bonds (distance) P-C4' energy: -53.055 flat angles C4'-P-C4' energy: -70.154 flat angles P-C4'-P energy: -53.593 tors. eta vs tors. theta energy: -79.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1663.285309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.285309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.285309 (E_RNA) where: Base-Base interactions energy: -1199.491 where: short stacking energy: -468.094 Base-Backbone interact. energy: -0.901 local terms energy: -462.893080 where: bonds (distance) C4'-P energy: -77.847 bonds (distance) P-C4' energy: -79.959 flat angles C4'-P-C4' energy: -93.976 flat angles P-C4'-P energy: -71.666 tors. eta vs tors. theta energy: -139.444 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: 10 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1564.628441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.628441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.628441 (E_RNA) where: Base-Base interactions energy: -1140.743 where: short stacking energy: -446.554 Base-Backbone interact. energy: -1.330 local terms energy: -422.554777 where: bonds (distance) C4'-P energy: -72.590 bonds (distance) P-C4' energy: -71.718 flat angles C4'-P-C4' energy: -86.642 flat angles P-C4'-P energy: -53.934 tors. eta vs tors. theta energy: -137.671 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: 9 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1556.721462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.721462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.721462 (E_RNA) where: Base-Base interactions energy: -1132.383 where: short stacking energy: -424.602 Base-Backbone interact. energy: -1.663 local terms energy: -422.675368 where: bonds (distance) C4'-P energy: -68.487 bonds (distance) P-C4' energy: -77.033 flat angles C4'-P-C4' energy: -88.402 flat angles P-C4'-P energy: -62.803 tors. eta vs tors. theta energy: -125.951 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: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1491.869135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.869135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.869135 (E_RNA) where: Base-Base interactions energy: -1093.669 where: short stacking energy: -416.177 Base-Backbone interact. energy: 3.421 local terms energy: -401.620987 where: bonds (distance) C4'-P energy: -78.800 bonds (distance) P-C4' energy: -74.495 flat angles C4'-P-C4' energy: -76.653 flat angles P-C4'-P energy: -56.765 tors. eta vs tors. theta energy: -114.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1433.088779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.088779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.088779 (E_RNA) where: Base-Base interactions energy: -1069.057 where: short stacking energy: -411.490 Base-Backbone interact. energy: -0.989 local terms energy: -363.042482 where: bonds (distance) C4'-P energy: -60.697 bonds (distance) P-C4' energy: -53.606 flat angles C4'-P-C4' energy: -85.087 flat angles P-C4'-P energy: -46.217 tors. eta vs tors. theta energy: -117.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1292.752300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.752300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.752300 (E_RNA) where: Base-Base interactions energy: -912.710 where: short stacking energy: -349.393 Base-Backbone interact. energy: -0.496 local terms energy: -379.546238 where: bonds (distance) C4'-P energy: -71.817 bonds (distance) P-C4' energy: -61.181 flat angles C4'-P-C4' energy: -77.484 flat angles P-C4'-P energy: -56.875 tors. eta vs tors. theta energy: -112.190 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: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1270.061881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.061881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.061881 (E_RNA) where: Base-Base interactions energy: -923.318 where: short stacking energy: -364.813 Base-Backbone interact. energy: -0.794 local terms energy: -345.950144 where: bonds (distance) C4'-P energy: -54.632 bonds (distance) P-C4' energy: -58.518 flat angles C4'-P-C4' energy: -81.723 flat angles P-C4'-P energy: -47.390 tors. eta vs tors. theta energy: -103.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1197.746246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.746246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.746246 (E_RNA) where: Base-Base interactions energy: -865.715 where: short stacking energy: -334.454 Base-Backbone interact. energy: 3.519 local terms energy: -335.549828 where: bonds (distance) C4'-P energy: -67.367 bonds (distance) P-C4' energy: -61.068 flat angles C4'-P-C4' energy: -80.321 flat angles P-C4'-P energy: -41.031 tors. eta vs tors. theta energy: -85.763 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: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1107.370159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.370159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.370159 (E_RNA) where: Base-Base interactions energy: -792.071 where: short stacking energy: -323.464 Base-Backbone interact. energy: -0.934 local terms energy: -314.365015 where: bonds (distance) C4'-P energy: -47.078 bonds (distance) P-C4' energy: -62.506 flat angles C4'-P-C4' energy: -77.438 flat angles P-C4'-P energy: -33.686 tors. eta vs tors. theta energy: -93.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -1080.922744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.922744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.922744 (E_RNA) where: Base-Base interactions energy: -791.328 where: short stacking energy: -314.380 Base-Backbone interact. energy: -0.248 local terms energy: -289.346731 where: bonds (distance) C4'-P energy: -37.045 bonds (distance) P-C4' energy: -63.252 flat angles C4'-P-C4' energy: -64.122 flat angles P-C4'-P energy: -43.315 tors. eta vs tors. theta energy: -81.612 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: 1, replica: 5 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1698.217400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.217400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.217400 (E_RNA) where: Base-Base interactions energy: -1220.959 where: short stacking energy: -487.481 Base-Backbone interact. energy: -0.297 local terms energy: -476.961748 where: bonds (distance) C4'-P energy: -86.681 bonds (distance) P-C4' energy: -76.412 flat angles C4'-P-C4' energy: -93.990 flat angles P-C4'-P energy: -75.042 tors. eta vs tors. theta energy: -144.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1559.684269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.684269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.684269 (E_RNA) where: Base-Base interactions energy: -1126.269 where: short stacking energy: -442.906 Base-Backbone interact. energy: -0.745 local terms energy: -432.670101 where: bonds (distance) C4'-P energy: -69.526 bonds (distance) P-C4' energy: -80.013 flat angles C4'-P-C4' energy: -86.198 flat angles P-C4'-P energy: -62.361 tors. eta vs tors. theta energy: -134.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1544.395152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.395152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.395152 (E_RNA) where: Base-Base interactions energy: -1137.232 where: short stacking energy: -437.570 Base-Backbone interact. energy: -0.913 local terms energy: -406.249837 where: bonds (distance) C4'-P energy: -68.797 bonds (distance) P-C4' energy: -65.601 flat angles C4'-P-C4' energy: -91.006 flat angles P-C4'-P energy: -57.466 tors. eta vs tors. theta energy: -123.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1496.710603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.710603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.710603 (E_RNA) where: Base-Base interactions energy: -1103.512 where: short stacking energy: -404.543 Base-Backbone interact. energy: -2.817 local terms energy: -390.381537 where: bonds (distance) C4'-P energy: -59.922 bonds (distance) P-C4' energy: -62.599 flat angles C4'-P-C4' energy: -89.536 flat angles P-C4'-P energy: -65.228 tors. eta vs tors. theta energy: -113.097 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: 5, replica: 1 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1445.637126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.637126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.637126 (E_RNA) where: Base-Base interactions energy: -1064.808 where: short stacking energy: -416.414 Base-Backbone interact. energy: -1.460 local terms energy: -379.368750 where: bonds (distance) C4'-P energy: -60.214 bonds (distance) P-C4' energy: -64.337 flat angles C4'-P-C4' energy: -82.980 flat angles P-C4'-P energy: -53.878 tors. eta vs tors. theta energy: -117.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1285.954793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.954793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.954793 (E_RNA) where: Base-Base interactions energy: -931.744 where: short stacking energy: -372.102 Base-Backbone interact. energy: -0.017 local terms energy: -354.193557 where: bonds (distance) C4'-P energy: -48.861 bonds (distance) P-C4' energy: -64.905 flat angles C4'-P-C4' energy: -74.977 flat angles P-C4'-P energy: -59.287 tors. eta vs tors. theta energy: -106.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1261.336001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.336001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.336001 (E_RNA) where: Base-Base interactions energy: -908.228 where: short stacking energy: -364.340 Base-Backbone interact. energy: -0.622 local terms energy: -352.485192 where: bonds (distance) C4'-P energy: -48.896 bonds (distance) P-C4' energy: -61.039 flat angles C4'-P-C4' energy: -81.246 flat angles P-C4'-P energy: -54.996 tors. eta vs tors. theta energy: -106.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1230.473360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.473360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.473360 (E_RNA) where: Base-Base interactions energy: -886.734 where: short stacking energy: -329.613 Base-Backbone interact. energy: -1.481 local terms energy: -342.258883 where: bonds (distance) C4'-P energy: -72.419 bonds (distance) P-C4' energy: -53.371 flat angles C4'-P-C4' energy: -69.066 flat angles P-C4'-P energy: -48.194 tors. eta vs tors. theta energy: -99.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1138.109061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.109061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.109061 (E_RNA) where: Base-Base interactions energy: -792.296 where: short stacking energy: -339.138 Base-Backbone interact. energy: -0.488 local terms energy: -345.324598 where: bonds (distance) C4'-P energy: -59.170 bonds (distance) P-C4' energy: -67.524 flat angles C4'-P-C4' energy: -75.707 flat angles P-C4'-P energy: -45.368 tors. eta vs tors. theta energy: -97.556 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: 4 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -1055.303252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.303252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.303252 (E_RNA) where: Base-Base interactions energy: -739.609 where: short stacking energy: -282.610 Base-Backbone interact. energy: 2.022 local terms energy: -317.715822 where: bonds (distance) C4'-P energy: -69.172 bonds (distance) P-C4' energy: -59.936 flat angles C4'-P-C4' energy: -69.791 flat angles P-C4'-P energy: -40.102 tors. eta vs tors. theta energy: -78.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1680.520073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.520073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.520073 (E_RNA) where: Base-Base interactions energy: -1233.527 where: short stacking energy: -476.417 Base-Backbone interact. energy: -0.078 local terms energy: -446.914840 where: bonds (distance) C4'-P energy: -75.646 bonds (distance) P-C4' energy: -70.375 flat angles C4'-P-C4' energy: -95.795 flat angles P-C4'-P energy: -65.306 tors. eta vs tors. theta energy: -139.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1581.172820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.172820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.172820 (E_RNA) where: Base-Base interactions energy: -1164.726 where: short stacking energy: -447.168 Base-Backbone interact. energy: 3.318 local terms energy: -419.765037 where: bonds (distance) C4'-P energy: -69.600 bonds (distance) P-C4' energy: -76.923 flat angles C4'-P-C4' energy: -89.228 flat angles P-C4'-P energy: -57.829 tors. eta vs tors. theta energy: -126.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1533.244567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.244567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.244567 (E_RNA) where: Base-Base interactions energy: -1111.739 where: short stacking energy: -424.687 Base-Backbone interact. energy: -0.642 local terms energy: -420.863549 where: bonds (distance) C4'-P energy: -81.631 bonds (distance) P-C4' energy: -70.956 flat angles C4'-P-C4' energy: -85.368 flat angles P-C4'-P energy: -55.842 tors. eta vs tors. theta energy: -127.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1462.986938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.986938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.986938 (E_RNA) where: Base-Base interactions energy: -1073.622 where: short stacking energy: -402.302 Base-Backbone interact. energy: -2.196 local terms energy: -387.169367 where: bonds (distance) C4'-P energy: -64.519 bonds (distance) P-C4' energy: -72.175 flat angles C4'-P-C4' energy: -88.328 flat angles P-C4'-P energy: -51.441 tors. eta vs tors. theta energy: -110.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1429.353367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.353367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.353367 (E_RNA) where: Base-Base interactions energy: -1038.379 where: short stacking energy: -400.044 Base-Backbone interact. energy: -1.288 local terms energy: -389.686708 where: bonds (distance) C4'-P energy: -63.626 bonds (distance) P-C4' energy: -73.024 flat angles C4'-P-C4' energy: -78.213 flat angles P-C4'-P energy: -60.786 tors. eta vs tors. theta energy: -114.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1307.565830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.565830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.565830 (E_RNA) where: Base-Base interactions energy: -926.623 where: short stacking energy: -370.390 Base-Backbone interact. energy: 0.993 local terms energy: -381.936195 where: bonds (distance) C4'-P energy: -53.389 bonds (distance) P-C4' energy: -75.598 flat angles C4'-P-C4' energy: -83.953 flat angles P-C4'-P energy: -58.715 tors. eta vs tors. theta energy: -110.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1291.550708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.550708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.550708 (E_RNA) where: Base-Base interactions energy: -948.797 where: short stacking energy: -364.091 Base-Backbone interact. energy: -0.668 local terms energy: -342.086564 where: bonds (distance) C4'-P energy: -55.923 bonds (distance) P-C4' energy: -66.705 flat angles C4'-P-C4' energy: -65.815 flat angles P-C4'-P energy: -51.558 tors. eta vs tors. theta energy: -102.086 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: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1208.078830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.078830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.078830 (E_RNA) where: Base-Base interactions energy: -860.893 where: short stacking energy: -336.590 Base-Backbone interact. energy: -0.155 local terms energy: -347.031647 where: bonds (distance) C4'-P energy: -63.256 bonds (distance) P-C4' energy: -62.481 flat angles C4'-P-C4' energy: -68.552 flat angles P-C4'-P energy: -60.393 tors. eta vs tors. theta energy: -92.350 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: 9, replica: 8 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1082.447791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.447791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.447791 (E_RNA) where: Base-Base interactions energy: -784.854 where: short stacking energy: -323.408 Base-Backbone interact. energy: -0.116 local terms energy: -297.477820 where: bonds (distance) C4'-P energy: -50.505 bonds (distance) P-C4' energy: -55.970 flat angles C4'-P-C4' energy: -73.000 flat angles P-C4'-P energy: -37.379 tors. eta vs tors. theta energy: -80.623 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: 10, replica: 4 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -1059.886619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.886619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.886619 (E_RNA) where: Base-Base interactions energy: -760.630 where: short stacking energy: -311.300 Base-Backbone interact. energy: -1.077 local terms energy: -298.180156 where: bonds (distance) C4'-P energy: -57.339 bonds (distance) P-C4' energy: -55.533 flat angles C4'-P-C4' energy: -72.296 flat angles P-C4'-P energy: -35.737 tors. eta vs tors. theta energy: -77.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1688.214179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.214179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.214179 (E_RNA) where: Base-Base interactions energy: -1225.560 where: short stacking energy: -472.948 Base-Backbone interact. energy: -0.895 local terms energy: -461.759614 where: bonds (distance) C4'-P energy: -80.939 bonds (distance) P-C4' energy: -78.309 flat angles C4'-P-C4' energy: -95.611 flat angles P-C4'-P energy: -66.758 tors. eta vs tors. theta energy: -140.142 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: 9 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1582.176770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.176770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.176770 (E_RNA) where: Base-Base interactions energy: -1166.164 where: short stacking energy: -435.248 Base-Backbone interact. energy: 3.092 local terms energy: -419.104490 where: bonds (distance) C4'-P energy: -75.066 bonds (distance) P-C4' energy: -75.042 flat angles C4'-P-C4' energy: -86.335 flat angles P-C4'-P energy: -54.800 tors. eta vs tors. theta energy: -127.861 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: 126 Temperature: 1.000000 Total energy: -1539.722219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.722219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.722219 (E_RNA) where: Base-Base interactions energy: -1117.431 where: short stacking energy: -445.432 Base-Backbone interact. energy: -1.034 local terms energy: -421.257829 where: bonds (distance) C4'-P energy: -53.559 bonds (distance) P-C4' energy: -80.210 flat angles C4'-P-C4' energy: -88.290 flat angles P-C4'-P energy: -63.300 tors. eta vs tors. theta energy: -135.899 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: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1477.759725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.759725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.759725 (E_RNA) where: Base-Base interactions energy: -1066.717 where: short stacking energy: -408.177 Base-Backbone interact. energy: -2.145 local terms energy: -408.898329 where: bonds (distance) C4'-P energy: -73.487 bonds (distance) P-C4' energy: -69.120 flat angles C4'-P-C4' energy: -85.714 flat angles P-C4'-P energy: -64.730 tors. eta vs tors. theta energy: -115.848 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: 1 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1427.464712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.464712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.464712 (E_RNA) where: Base-Base interactions energy: -1043.017 where: short stacking energy: -398.417 Base-Backbone interact. energy: 0.560 local terms energy: -385.007648 where: bonds (distance) C4'-P energy: -72.489 bonds (distance) P-C4' energy: -67.851 flat angles C4'-P-C4' energy: -79.564 flat angles P-C4'-P energy: -49.974 tors. eta vs tors. theta energy: -115.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1288.752348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.752348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.752348 (E_RNA) where: Base-Base interactions energy: -936.608 where: short stacking energy: -372.219 Base-Backbone interact. energy: -0.560 local terms energy: -351.584356 where: bonds (distance) C4'-P energy: -54.819 bonds (distance) P-C4' energy: -60.429 flat angles C4'-P-C4' energy: -82.679 flat angles P-C4'-P energy: -52.355 tors. eta vs tors. theta energy: -101.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1298.374389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.374389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.374389 (E_RNA) where: Base-Base interactions energy: -928.362 where: short stacking energy: -364.928 Base-Backbone interact. energy: 0.023 local terms energy: -370.035286 where: bonds (distance) C4'-P energy: -71.636 bonds (distance) P-C4' energy: -81.714 flat angles C4'-P-C4' energy: -73.041 flat angles P-C4'-P energy: -34.516 tors. eta vs tors. theta energy: -109.128 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: 126 Temperature: 1.250000 Total energy: -1234.298445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.298445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.298445 (E_RNA) where: Base-Base interactions energy: -913.540 where: short stacking energy: -367.265 Base-Backbone interact. energy: 1.649 local terms energy: -322.407357 where: bonds (distance) C4'-P energy: -45.479 bonds (distance) P-C4' energy: -62.952 flat angles C4'-P-C4' energy: -69.676 flat angles P-C4'-P energy: -44.440 tors. eta vs tors. theta energy: -99.860 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: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1092.127828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.127828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.127828 (E_RNA) where: Base-Base interactions energy: -768.589 where: short stacking energy: -299.243 Base-Backbone interact. energy: -0.738 local terms energy: -322.800803 where: bonds (distance) C4'-P energy: -51.267 bonds (distance) P-C4' energy: -65.513 flat angles C4'-P-C4' energy: -71.638 flat angles P-C4'-P energy: -55.961 tors. eta vs tors. theta energy: -78.422 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: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -1113.157242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.157242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.157242 (E_RNA) where: Base-Base interactions energy: -793.358 where: short stacking energy: -319.182 Base-Backbone interact. energy: -0.731 local terms energy: -319.067823 where: bonds (distance) C4'-P energy: -64.319 bonds (distance) P-C4' energy: -50.982 flat angles C4'-P-C4' energy: -78.979 flat angles P-C4'-P energy: -42.053 tors. eta vs tors. theta energy: -82.735 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: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1674.948087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.948087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.948087 (E_RNA) where: Base-Base interactions energy: -1229.854 where: short stacking energy: -477.485 Base-Backbone interact. energy: -0.557 local terms energy: -444.536643 where: bonds (distance) C4'-P energy: -69.742 bonds (distance) P-C4' energy: -75.734 flat angles C4'-P-C4' energy: -92.482 flat angles P-C4'-P energy: -64.503 tors. eta vs tors. theta energy: -142.076 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: 127 Temperature: 0.950000 Total energy: -1574.442919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.442919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.442919 (E_RNA) where: Base-Base interactions energy: -1138.762 where: short stacking energy: -446.677 Base-Backbone interact. energy: -0.298 local terms energy: -435.383432 where: bonds (distance) C4'-P energy: -81.560 bonds (distance) P-C4' energy: -71.831 flat angles C4'-P-C4' energy: -89.131 flat angles P-C4'-P energy: -58.659 tors. eta vs tors. theta energy: -134.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1562.242502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.242502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.242502 (E_RNA) where: Base-Base interactions energy: -1144.180 where: short stacking energy: -428.077 Base-Backbone interact. energy: -1.219 local terms energy: -416.844110 where: bonds (distance) C4'-P energy: -68.811 bonds (distance) P-C4' energy: -69.236 flat angles C4'-P-C4' energy: -88.418 flat angles P-C4'-P energy: -56.790 tors. eta vs tors. theta energy: -133.589 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: 4, replica: 1 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1459.384964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.384964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.384964 (E_RNA) where: Base-Base interactions energy: -1053.001 where: short stacking energy: -393.226 Base-Backbone interact. energy: 0.996 local terms energy: -407.380345 where: bonds (distance) C4'-P energy: -72.890 bonds (distance) P-C4' energy: -79.253 flat angles C4'-P-C4' energy: -81.723 flat angles P-C4'-P energy: -57.054 tors. eta vs tors. theta energy: -116.461 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: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1450.867046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.867046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.867046 (E_RNA) where: Base-Base interactions energy: -1061.201 where: short stacking energy: -397.090 Base-Backbone interact. energy: 0.649 local terms energy: -390.315330 where: bonds (distance) C4'-P energy: -70.169 bonds (distance) P-C4' energy: -76.322 flat angles C4'-P-C4' energy: -83.601 flat angles P-C4'-P energy: -52.781 tors. eta vs tors. theta energy: -107.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1295.943651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.943651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.943651 (E_RNA) where: Base-Base interactions energy: -931.637 where: short stacking energy: -373.016 Base-Backbone interact. energy: 2.648 local terms energy: -366.954339 where: bonds (distance) C4'-P energy: -59.106 bonds (distance) P-C4' energy: -76.798 flat angles C4'-P-C4' energy: -75.769 flat angles P-C4'-P energy: -46.475 tors. eta vs tors. theta energy: -108.805 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: 2 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1297.248481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.248481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.248481 (E_RNA) where: Base-Base interactions energy: -945.339 where: short stacking energy: -385.858 Base-Backbone interact. energy: -0.066 local terms energy: -351.843381 where: bonds (distance) C4'-P energy: -58.895 bonds (distance) P-C4' energy: -60.212 flat angles C4'-P-C4' energy: -81.367 flat angles P-C4'-P energy: -46.396 tors. eta vs tors. theta energy: -104.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1230.596337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.596337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.596337 (E_RNA) where: Base-Base interactions energy: -891.218 where: short stacking energy: -350.289 Base-Backbone interact. energy: 0.210 local terms energy: -339.588183 where: bonds (distance) C4'-P energy: -65.159 bonds (distance) P-C4' energy: -64.077 flat angles C4'-P-C4' energy: -71.225 flat angles P-C4'-P energy: -50.252 tors. eta vs tors. theta energy: -88.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1085.175899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.175899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.175899 (E_RNA) where: Base-Base interactions energy: -756.014 where: short stacking energy: -295.260 Base-Backbone interact. energy: 2.667 local terms energy: -331.829487 where: bonds (distance) C4'-P energy: -65.829 bonds (distance) P-C4' energy: -67.473 flat angles C4'-P-C4' energy: -78.025 flat angles P-C4'-P energy: -45.524 tors. eta vs tors. theta energy: -74.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -1074.520259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.520259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.520259 (E_RNA) where: Base-Base interactions energy: -752.056 where: short stacking energy: -287.050 Base-Backbone interact. energy: 0.717 local terms energy: -323.181081 where: bonds (distance) C4'-P energy: -60.752 bonds (distance) P-C4' energy: -51.005 flat angles C4'-P-C4' energy: -77.243 flat angles P-C4'-P energy: -52.163 tors. eta vs tors. theta energy: -82.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1677.348891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.348891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.348891 (E_RNA) where: Base-Base interactions energy: -1232.879 where: short stacking energy: -479.603 Base-Backbone interact. energy: -1.526 local terms energy: -442.943698 where: bonds (distance) C4'-P energy: -64.664 bonds (distance) P-C4' energy: -82.778 flat angles C4'-P-C4' energy: -90.303 flat angles P-C4'-P energy: -62.450 tors. eta vs tors. theta energy: -142.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1595.040802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.040802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.040802 (E_RNA) where: Base-Base interactions energy: -1137.505 where: short stacking energy: -451.463 Base-Backbone interact. energy: -0.466 local terms energy: -457.069886 where: bonds (distance) C4'-P energy: -87.865 bonds (distance) P-C4' energy: -73.979 flat angles C4'-P-C4' energy: -92.092 flat angles P-C4'-P energy: -68.701 tors. eta vs tors. theta energy: -134.433 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: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1555.849927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.849927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.849927 (E_RNA) where: Base-Base interactions energy: -1146.570 where: short stacking energy: -425.721 Base-Backbone interact. energy: 1.653 local terms energy: -410.933182 where: bonds (distance) C4'-P energy: -72.423 bonds (distance) P-C4' energy: -69.551 flat angles C4'-P-C4' energy: -85.084 flat angles P-C4'-P energy: -56.512 tors. eta vs tors. theta energy: -127.364 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: 1 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1464.605522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.605522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.605522 (E_RNA) where: Base-Base interactions energy: -1057.332 where: short stacking energy: -409.968 Base-Backbone interact. energy: -0.964 local terms energy: -406.309549 where: bonds (distance) C4'-P energy: -77.799 bonds (distance) P-C4' energy: -68.610 flat angles C4'-P-C4' energy: -79.280 flat angles P-C4'-P energy: -58.050 tors. eta vs tors. theta energy: -122.571 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: 3 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1365.424688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.424688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.424688 (E_RNA) where: Base-Base interactions energy: -979.101 where: short stacking energy: -390.541 Base-Backbone interact. energy: -0.377 local terms energy: -385.947164 where: bonds (distance) C4'-P energy: -65.860 bonds (distance) P-C4' energy: -70.284 flat angles C4'-P-C4' energy: -80.333 flat angles P-C4'-P energy: -57.520 tors. eta vs tors. theta energy: -111.950 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: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1427.368322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.368322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.368322 (E_RNA) where: Base-Base interactions energy: -1076.061 where: short stacking energy: -406.166 Base-Backbone interact. energy: 5.709 local terms energy: -357.015483 where: bonds (distance) C4'-P energy: -51.075 bonds (distance) P-C4' energy: -64.938 flat angles C4'-P-C4' energy: -73.871 flat angles P-C4'-P energy: -58.913 tors. eta vs tors. theta energy: -108.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1287.218215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.218215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.218215 (E_RNA) where: Base-Base interactions energy: -915.981 where: short stacking energy: -367.419 Base-Backbone interact. energy: -1.152 local terms energy: -370.085989 where: bonds (distance) C4'-P energy: -57.427 bonds (distance) P-C4' energy: -64.144 flat angles C4'-P-C4' energy: -82.539 flat angles P-C4'-P energy: -52.818 tors. eta vs tors. theta energy: -113.158 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: 7 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1219.509598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.509598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.509598 (E_RNA) where: Base-Base interactions energy: -877.152 where: short stacking energy: -345.371 Base-Backbone interact. energy: -0.430 local terms energy: -341.927329 where: bonds (distance) C4'-P energy: -57.686 bonds (distance) P-C4' energy: -64.264 flat angles C4'-P-C4' energy: -67.734 flat angles P-C4'-P energy: -53.223 tors. eta vs tors. theta energy: -99.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1027.552623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.552623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.552623 (E_RNA) where: Base-Base interactions energy: -725.206 where: short stacking energy: -292.107 Base-Backbone interact. energy: 0.425 local terms energy: -302.772131 where: bonds (distance) C4'-P energy: -66.478 bonds (distance) P-C4' energy: -58.106 flat angles C4'-P-C4' energy: -67.869 flat angles P-C4'-P energy: -39.906 tors. eta vs tors. theta energy: -70.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -1059.823660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.823660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.823660 (E_RNA) where: Base-Base interactions energy: -751.390 where: short stacking energy: -299.233 Base-Backbone interact. energy: 1.925 local terms energy: -310.359012 where: bonds (distance) C4'-P energy: -41.820 bonds (distance) P-C4' energy: -74.246 flat angles C4'-P-C4' energy: -68.232 flat angles P-C4'-P energy: -40.503 tors. eta vs tors. theta energy: -85.559 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: 5 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1695.081112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.081112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.081112 (E_RNA) where: Base-Base interactions energy: -1241.514 where: short stacking energy: -474.240 Base-Backbone interact. energy: -0.663 local terms energy: -452.904642 where: bonds (distance) C4'-P energy: -76.792 bonds (distance) P-C4' energy: -76.495 flat angles C4'-P-C4' energy: -94.339 flat angles P-C4'-P energy: -64.589 tors. eta vs tors. theta energy: -140.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1582.760895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.760895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.760895 (E_RNA) where: Base-Base interactions energy: -1138.581 where: short stacking energy: -449.647 Base-Backbone interact. energy: -0.278 local terms energy: -443.902130 where: bonds (distance) C4'-P energy: -73.819 bonds (distance) P-C4' energy: -80.630 flat angles C4'-P-C4' energy: -91.187 flat angles P-C4'-P energy: -63.001 tors. eta vs tors. theta energy: -135.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1558.706566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.706566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.706566 (E_RNA) where: Base-Base interactions energy: -1137.885 where: short stacking energy: -435.508 Base-Backbone interact. energy: -0.694 local terms energy: -420.127403 where: bonds (distance) C4'-P energy: -75.230 bonds (distance) P-C4' energy: -64.653 flat angles C4'-P-C4' energy: -86.823 flat angles P-C4'-P energy: -63.615 tors. eta vs tors. theta energy: -129.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1401.316650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.316650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.316650 (E_RNA) where: Base-Base interactions energy: -1019.144 where: short stacking energy: -398.064 Base-Backbone interact. energy: -1.099 local terms energy: -381.074139 where: bonds (distance) C4'-P energy: -60.705 bonds (distance) P-C4' energy: -66.139 flat angles C4'-P-C4' energy: -87.319 flat angles P-C4'-P energy: -53.699 tors. eta vs tors. theta energy: -113.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1413.986098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.986098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.986098 (E_RNA) where: Base-Base interactions energy: -1023.828 where: short stacking energy: -407.517 Base-Backbone interact. energy: -2.043 local terms energy: -388.114962 where: bonds (distance) C4'-P energy: -72.054 bonds (distance) P-C4' energy: -72.689 flat angles C4'-P-C4' energy: -83.822 flat angles P-C4'-P energy: -50.282 tors. eta vs tors. theta energy: -109.267 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: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1407.643362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.643362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.643362 (E_RNA) where: Base-Base interactions energy: -1037.974 where: short stacking energy: -388.049 Base-Backbone interact. energy: 4.156 local terms energy: -373.825504 where: bonds (distance) C4'-P energy: -63.360 bonds (distance) P-C4' energy: -72.100 flat angles C4'-P-C4' energy: -77.258 flat angles P-C4'-P energy: -53.373 tors. eta vs tors. theta energy: -107.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1290.727236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.727236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.727236 (E_RNA) where: Base-Base interactions energy: -917.319 where: short stacking energy: -359.852 Base-Backbone interact. energy: 1.366 local terms energy: -374.774218 where: bonds (distance) C4'-P energy: -73.830 bonds (distance) P-C4' energy: -71.256 flat angles C4'-P-C4' energy: -78.022 flat angles P-C4'-P energy: -49.561 tors. eta vs tors. theta energy: -102.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1246.625668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.625668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.625668 (E_RNA) where: Base-Base interactions energy: -909.398 where: short stacking energy: -351.555 Base-Backbone interact. energy: -0.120 local terms energy: -337.106957 where: bonds (distance) C4'-P energy: -58.986 bonds (distance) P-C4' energy: -48.639 flat angles C4'-P-C4' energy: -73.969 flat angles P-C4'-P energy: -46.952 tors. eta vs tors. theta energy: -108.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1071.677929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.677929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.677929 (E_RNA) where: Base-Base interactions energy: -748.949 where: short stacking energy: -306.084 Base-Backbone interact. energy: 5.508 local terms energy: -328.236566 where: bonds (distance) C4'-P energy: -57.049 bonds (distance) P-C4' energy: -63.969 flat angles C4'-P-C4' energy: -76.812 flat angles P-C4'-P energy: -52.696 tors. eta vs tors. theta energy: -77.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -1044.077549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.077549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.077549 (E_RNA) where: Base-Base interactions energy: -737.728 where: short stacking energy: -273.348 Base-Backbone interact. energy: -1.914 local terms energy: -304.435215 where: bonds (distance) C4'-P energy: -58.191 bonds (distance) P-C4' energy: -68.290 flat angles C4'-P-C4' energy: -64.797 flat angles P-C4'-P energy: -48.171 tors. eta vs tors. theta energy: -64.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1673.957253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.957253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.957253 (E_RNA) where: Base-Base interactions energy: -1234.872 where: short stacking energy: -486.304 Base-Backbone interact. energy: -0.504 local terms energy: -438.581130 where: bonds (distance) C4'-P energy: -69.301 bonds (distance) P-C4' energy: -72.401 flat angles C4'-P-C4' energy: -86.748 flat angles P-C4'-P energy: -69.895 tors. eta vs tors. theta energy: -140.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1566.360091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.360091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.360091 (E_RNA) where: Base-Base interactions energy: -1121.460 where: short stacking energy: -437.860 Base-Backbone interact. energy: -0.170 local terms energy: -444.730485 where: bonds (distance) C4'-P energy: -76.833 bonds (distance) P-C4' energy: -81.456 flat angles C4'-P-C4' energy: -93.641 flat angles P-C4'-P energy: -63.016 tors. eta vs tors. theta energy: -129.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1553.711811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.711811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.711811 (E_RNA) where: Base-Base interactions energy: -1141.095 where: short stacking energy: -445.092 Base-Backbone interact. energy: -1.332 local terms energy: -411.284415 where: bonds (distance) C4'-P energy: -66.359 bonds (distance) P-C4' energy: -80.616 flat angles C4'-P-C4' energy: -92.172 flat angles P-C4'-P energy: -45.092 tors. eta vs tors. theta energy: -127.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1402.408601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.408601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.408601 (E_RNA) where: Base-Base interactions energy: -995.057 where: short stacking energy: -398.142 Base-Backbone interact. energy: -1.449 local terms energy: -405.902124 where: bonds (distance) C4'-P energy: -69.332 bonds (distance) P-C4' energy: -69.538 flat angles C4'-P-C4' energy: -89.829 flat angles P-C4'-P energy: -59.651 tors. eta vs tors. theta energy: -117.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1433.023063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.023063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.023063 (E_RNA) where: Base-Base interactions energy: -1049.345 where: short stacking energy: -390.995 Base-Backbone interact. energy: -1.807 local terms energy: -381.870462 where: bonds (distance) C4'-P energy: -61.772 bonds (distance) P-C4' energy: -76.845 flat angles C4'-P-C4' energy: -84.965 flat angles P-C4'-P energy: -48.341 tors. eta vs tors. theta energy: -109.948 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: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1390.692086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.692086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.692086 (E_RNA) where: Base-Base interactions energy: -1004.815 where: short stacking energy: -396.404 Base-Backbone interact. energy: -1.016 local terms energy: -384.861206 where: bonds (distance) C4'-P energy: -57.610 bonds (distance) P-C4' energy: -69.064 flat angles C4'-P-C4' energy: -81.301 flat angles P-C4'-P energy: -62.093 tors. eta vs tors. theta energy: -114.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1324.675075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.675075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.675075 (E_RNA) where: Base-Base interactions energy: -949.757 where: short stacking energy: -376.117 Base-Backbone interact. energy: -0.613 local terms energy: -374.304153 where: bonds (distance) C4'-P energy: -54.846 bonds (distance) P-C4' energy: -71.600 flat angles C4'-P-C4' energy: -80.500 flat angles P-C4'-P energy: -54.223 tors. eta vs tors. theta energy: -113.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1265.556908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.556908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.556908 (E_RNA) where: Base-Base interactions energy: -905.780 where: short stacking energy: -359.489 Base-Backbone interact. energy: -0.567 local terms energy: -359.209475 where: bonds (distance) C4'-P energy: -68.803 bonds (distance) P-C4' energy: -52.120 flat angles C4'-P-C4' energy: -79.484 flat angles P-C4'-P energy: -55.325 tors. eta vs tors. theta energy: -103.477 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: 4 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1122.343422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.343422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.343422 (E_RNA) where: Base-Base interactions energy: -777.931 where: short stacking energy: -322.371 Base-Backbone interact. energy: -1.239 local terms energy: -343.173111 where: bonds (distance) C4'-P energy: -61.916 bonds (distance) P-C4' energy: -60.521 flat angles C4'-P-C4' energy: -75.449 flat angles P-C4'-P energy: -50.378 tors. eta vs tors. theta energy: -94.909 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: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -1018.191277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.191277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.191277 (E_RNA) where: Base-Base interactions energy: -727.619 where: short stacking energy: -296.114 Base-Backbone interact. energy: -2.336 local terms energy: -288.236141 where: bonds (distance) C4'-P energy: -67.244 bonds (distance) P-C4' energy: -41.368 flat angles C4'-P-C4' energy: -75.672 flat angles P-C4'-P energy: -29.937 tors. eta vs tors. theta energy: -74.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1695.582526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.582526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.582526 (E_RNA) where: Base-Base interactions energy: -1227.369 where: short stacking energy: -470.824 Base-Backbone interact. energy: -1.159 local terms energy: -467.054605 where: bonds (distance) C4'-P energy: -78.616 bonds (distance) P-C4' energy: -80.825 flat angles C4'-P-C4' energy: -91.884 flat angles P-C4'-P energy: -75.334 tors. eta vs tors. theta energy: -140.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1557.004666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.004666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.004666 (E_RNA) where: Base-Base interactions energy: -1114.230 where: short stacking energy: -428.636 Base-Backbone interact. energy: -1.130 local terms energy: -441.643908 where: bonds (distance) C4'-P energy: -74.183 bonds (distance) P-C4' energy: -87.066 flat angles C4'-P-C4' energy: -92.250 flat angles P-C4'-P energy: -56.289 tors. eta vs tors. theta energy: -131.856 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: 9 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1532.996944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.996944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.996944 (E_RNA) where: Base-Base interactions energy: -1129.801 where: short stacking energy: -432.000 Base-Backbone interact. energy: 0.480 local terms energy: -403.676160 where: bonds (distance) C4'-P energy: -69.398 bonds (distance) P-C4' energy: -63.564 flat angles C4'-P-C4' energy: -82.601 flat angles P-C4'-P energy: -63.178 tors. eta vs tors. theta energy: -124.935 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: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1468.286873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.286873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.286873 (E_RNA) where: Base-Base interactions energy: -1073.501 where: short stacking energy: -398.651 Base-Backbone interact. energy: -2.162 local terms energy: -392.624505 where: bonds (distance) C4'-P energy: -70.566 bonds (distance) P-C4' energy: -70.888 flat angles C4'-P-C4' energy: -78.647 flat angles P-C4'-P energy: -59.411 tors. eta vs tors. theta energy: -113.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1359.240195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.240195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.240195 (E_RNA) where: Base-Base interactions energy: -953.188 where: short stacking energy: -393.864 Base-Backbone interact. energy: -0.182 local terms energy: -405.869983 where: bonds (distance) C4'-P energy: -69.794 bonds (distance) P-C4' energy: -73.754 flat angles C4'-P-C4' energy: -83.821 flat angles P-C4'-P energy: -58.830 tors. eta vs tors. theta energy: -119.671 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: 1 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1371.066009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.066009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.066009 (E_RNA) where: Base-Base interactions energy: -985.406 where: short stacking energy: -377.879 Base-Backbone interact. energy: -0.484 local terms energy: -385.175514 where: bonds (distance) C4'-P energy: -57.749 bonds (distance) P-C4' energy: -76.344 flat angles C4'-P-C4' energy: -81.779 flat angles P-C4'-P energy: -55.570 tors. eta vs tors. theta energy: -113.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1305.096700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.096700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.096700 (E_RNA) where: Base-Base interactions energy: -939.914 where: short stacking energy: -364.582 Base-Backbone interact. energy: -0.145 local terms energy: -365.038431 where: bonds (distance) C4'-P energy: -65.573 bonds (distance) P-C4' energy: -61.592 flat angles C4'-P-C4' energy: -73.642 flat angles P-C4'-P energy: -53.774 tors. eta vs tors. theta energy: -110.458 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: 131 Temperature: 1.250000 Total energy: -1270.144804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.144804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.144804 (E_RNA) where: Base-Base interactions energy: -926.198 where: short stacking energy: -373.415 Base-Backbone interact. energy: -0.707 local terms energy: -343.240228 where: bonds (distance) C4'-P energy: -67.525 bonds (distance) P-C4' energy: -57.345 flat angles C4'-P-C4' energy: -72.872 flat angles P-C4'-P energy: -41.348 tors. eta vs tors. theta energy: -104.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1130.805212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.805212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.805212 (E_RNA) where: Base-Base interactions energy: -815.610 where: short stacking energy: -318.425 Base-Backbone interact. energy: -0.850 local terms energy: -314.345474 where: bonds (distance) C4'-P energy: -51.672 bonds (distance) P-C4' energy: -63.167 flat angles C4'-P-C4' energy: -78.478 flat angles P-C4'-P energy: -39.851 tors. eta vs tors. theta energy: -81.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -1033.179360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.179360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.179360 (E_RNA) where: Base-Base interactions energy: -735.793 where: short stacking energy: -295.187 Base-Backbone interact. energy: -2.228 local terms energy: -295.158499 where: bonds (distance) C4'-P energy: -51.856 bonds (distance) P-C4' energy: -55.095 flat angles C4'-P-C4' energy: -61.956 flat angles P-C4'-P energy: -57.696 tors. eta vs tors. theta energy: -68.555 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: 5 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1671.069429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.069429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.069429 (E_RNA) where: Base-Base interactions energy: -1207.977 where: short stacking energy: -473.154 Base-Backbone interact. energy: -0.075 local terms energy: -463.018361 where: bonds (distance) C4'-P energy: -79.078 bonds (distance) P-C4' energy: -78.384 flat angles C4'-P-C4' energy: -96.338 flat angles P-C4'-P energy: -68.767 tors. eta vs tors. theta energy: -140.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1573.113325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.113325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.113325 (E_RNA) where: Base-Base interactions energy: -1133.224 where: short stacking energy: -452.567 Base-Backbone interact. energy: -0.447 local terms energy: -439.442032 where: bonds (distance) C4'-P energy: -72.406 bonds (distance) P-C4' energy: -72.341 flat angles C4'-P-C4' energy: -91.075 flat angles P-C4'-P energy: -69.391 tors. eta vs tors. theta energy: -134.229 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: 3, replica: 9 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1553.667369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.667369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.667369 (E_RNA) where: Base-Base interactions energy: -1133.428 where: short stacking energy: -444.147 Base-Backbone interact. energy: 3.853 local terms energy: -424.092387 where: bonds (distance) C4'-P energy: -73.253 bonds (distance) P-C4' energy: -77.606 flat angles C4'-P-C4' energy: -85.249 flat angles P-C4'-P energy: -56.451 tors. eta vs tors. theta energy: -131.532 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: 6 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1468.491266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.491266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.491266 (E_RNA) where: Base-Base interactions energy: -1090.260 where: short stacking energy: -422.580 Base-Backbone interact. energy: 0.083 local terms energy: -378.313843 where: bonds (distance) C4'-P energy: -61.254 bonds (distance) P-C4' energy: -69.056 flat angles C4'-P-C4' energy: -79.546 flat angles P-C4'-P energy: -54.275 tors. eta vs tors. theta energy: -114.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1413.932799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.932799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.932799 (E_RNA) where: Base-Base interactions energy: -1012.570 where: short stacking energy: -395.230 Base-Backbone interact. energy: -0.791 local terms energy: -400.571786 where: bonds (distance) C4'-P energy: -71.987 bonds (distance) P-C4' energy: -71.931 flat angles C4'-P-C4' energy: -86.980 flat angles P-C4'-P energy: -51.828 tors. eta vs tors. theta energy: -117.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1342.684067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.684067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.684067 (E_RNA) where: Base-Base interactions energy: -945.398 where: short stacking energy: -379.690 Base-Backbone interact. energy: -0.766 local terms energy: -396.519660 where: bonds (distance) C4'-P energy: -66.240 bonds (distance) P-C4' energy: -60.879 flat angles C4'-P-C4' energy: -90.951 flat angles P-C4'-P energy: -68.228 tors. eta vs tors. theta energy: -110.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1303.116728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.116728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.116728 (E_RNA) where: Base-Base interactions energy: -941.123 where: short stacking energy: -372.408 Base-Backbone interact. energy: 0.761 local terms energy: -362.754854 where: bonds (distance) C4'-P energy: -72.461 bonds (distance) P-C4' energy: -57.591 flat angles C4'-P-C4' energy: -79.718 flat angles P-C4'-P energy: -51.362 tors. eta vs tors. theta energy: -101.623 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: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1228.738841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.738841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.738841 (E_RNA) where: Base-Base interactions energy: -869.309 where: short stacking energy: -347.826 Base-Backbone interact. energy: 2.447 local terms energy: -361.876839 where: bonds (distance) C4'-P energy: -56.703 bonds (distance) P-C4' energy: -71.643 flat angles C4'-P-C4' energy: -86.856 flat angles P-C4'-P energy: -41.231 tors. eta vs tors. theta energy: -105.444 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: 9, replica: 4 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1180.400875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.400875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.400875 (E_RNA) where: Base-Base interactions energy: -839.190 where: short stacking energy: -349.244 Base-Backbone interact. energy: -1.038 local terms energy: -340.172854 where: bonds (distance) C4'-P energy: -54.885 bonds (distance) P-C4' energy: -56.060 flat angles C4'-P-C4' energy: -78.070 flat angles P-C4'-P energy: -48.232 tors. eta vs tors. theta energy: -102.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -1005.525568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.525568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.525568 (E_RNA) where: Base-Base interactions energy: -712.591 where: short stacking energy: -277.199 Base-Backbone interact. energy: -1.917 local terms energy: -291.017806 where: bonds (distance) C4'-P energy: -62.108 bonds (distance) P-C4' energy: -59.010 flat angles C4'-P-C4' energy: -65.371 flat angles P-C4'-P energy: -34.668 tors. eta vs tors. theta energy: -69.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1677.938972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.938972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.938972 (E_RNA) where: Base-Base interactions energy: -1221.186 where: short stacking energy: -480.336 Base-Backbone interact. energy: -0.747 local terms energy: -456.006608 where: bonds (distance) C4'-P energy: -75.650 bonds (distance) P-C4' energy: -77.047 flat angles C4'-P-C4' energy: -89.587 flat angles P-C4'-P energy: -69.864 tors. eta vs tors. theta energy: -143.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1563.495701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.495701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.495701 (E_RNA) where: Base-Base interactions energy: -1115.951 where: short stacking energy: -424.330 Base-Backbone interact. energy: -0.539 local terms energy: -447.006038 where: bonds (distance) C4'-P energy: -78.417 bonds (distance) P-C4' energy: -81.772 flat angles C4'-P-C4' energy: -92.316 flat angles P-C4'-P energy: -71.471 tors. eta vs tors. theta energy: -123.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1549.336080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.336080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.336080 (E_RNA) where: Base-Base interactions energy: -1118.206 where: short stacking energy: -446.420 Base-Backbone interact. energy: -0.828 local terms energy: -430.302047 where: bonds (distance) C4'-P energy: -79.705 bonds (distance) P-C4' energy: -76.813 flat angles C4'-P-C4' energy: -84.219 flat angles P-C4'-P energy: -58.954 tors. eta vs tors. theta energy: -130.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1475.243814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.243814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.243814 (E_RNA) where: Base-Base interactions energy: -1076.061 where: short stacking energy: -416.213 Base-Backbone interact. energy: 1.491 local terms energy: -400.673497 where: bonds (distance) C4'-P energy: -74.615 bonds (distance) P-C4' energy: -77.556 flat angles C4'-P-C4' energy: -79.626 flat angles P-C4'-P energy: -47.150 tors. eta vs tors. theta energy: -121.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1418.104150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.104150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.104150 (E_RNA) where: Base-Base interactions energy: -1021.671 where: short stacking energy: -419.452 Base-Backbone interact. energy: -1.370 local terms energy: -395.063051 where: bonds (distance) C4'-P energy: -68.783 bonds (distance) P-C4' energy: -66.319 flat angles C4'-P-C4' energy: -80.059 flat angles P-C4'-P energy: -51.216 tors. eta vs tors. theta energy: -128.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1327.083754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.083754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.083754 (E_RNA) where: Base-Base interactions energy: -965.412 where: short stacking energy: -376.608 Base-Backbone interact. energy: -0.897 local terms energy: -360.775283 where: bonds (distance) C4'-P energy: -65.189 bonds (distance) P-C4' energy: -61.982 flat angles C4'-P-C4' energy: -82.473 flat angles P-C4'-P energy: -42.825 tors. eta vs tors. theta energy: -108.306 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: 3 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1314.286122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.286122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.286122 (E_RNA) where: Base-Base interactions energy: -940.122 where: short stacking energy: -371.919 Base-Backbone interact. energy: -1.175 local terms energy: -372.989215 where: bonds (distance) C4'-P energy: -61.559 bonds (distance) P-C4' energy: -71.995 flat angles C4'-P-C4' energy: -78.171 flat angles P-C4'-P energy: -45.732 tors. eta vs tors. theta energy: -115.533 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: 8, replica: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1256.305838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.305838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.305838 (E_RNA) where: Base-Base interactions energy: -900.221 where: short stacking energy: -346.921 Base-Backbone interact. energy: -0.175 local terms energy: -355.909776 where: bonds (distance) C4'-P energy: -76.029 bonds (distance) P-C4' energy: -73.067 flat angles C4'-P-C4' energy: -63.875 flat angles P-C4'-P energy: -49.567 tors. eta vs tors. theta energy: -93.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1218.752283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.752283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.752283 (E_RNA) where: Base-Base interactions energy: -891.902 where: short stacking energy: -339.097 Base-Backbone interact. energy: -1.121 local terms energy: -325.728804 where: bonds (distance) C4'-P energy: -48.649 bonds (distance) P-C4' energy: -60.757 flat angles C4'-P-C4' energy: -77.968 flat angles P-C4'-P energy: -46.977 tors. eta vs tors. theta energy: -91.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -1044.252619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.252619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.252619 (E_RNA) where: Base-Base interactions energy: -734.876 where: short stacking energy: -294.475 Base-Backbone interact. energy: 2.408 local terms energy: -311.784133 where: bonds (distance) C4'-P energy: -58.325 bonds (distance) P-C4' energy: -65.772 flat angles C4'-P-C4' energy: -69.940 flat angles P-C4'-P energy: -40.687 tors. eta vs tors. theta energy: -77.061 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: 134 Temperature: 0.900000 Total energy: -1658.928283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.928283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.928283 (E_RNA) where: Base-Base interactions energy: -1213.339 where: short stacking energy: -470.938 Base-Backbone interact. energy: -0.659 local terms energy: -444.930218 where: bonds (distance) C4'-P energy: -71.476 bonds (distance) P-C4' energy: -77.223 flat angles C4'-P-C4' energy: -93.769 flat angles P-C4'-P energy: -58.568 tors. eta vs tors. theta energy: -143.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1561.524008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.524008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.524008 (E_RNA) where: Base-Base interactions energy: -1142.990 where: short stacking energy: -431.273 Base-Backbone interact. energy: -1.380 local terms energy: -417.153766 where: bonds (distance) C4'-P energy: -70.027 bonds (distance) P-C4' energy: -76.710 flat angles C4'-P-C4' energy: -82.251 flat angles P-C4'-P energy: -57.279 tors. eta vs tors. theta energy: -130.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1541.495708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.495708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.495708 (E_RNA) where: Base-Base interactions energy: -1127.915 where: short stacking energy: -438.705 Base-Backbone interact. energy: 0.059 local terms energy: -413.639285 where: bonds (distance) C4'-P energy: -68.134 bonds (distance) P-C4' energy: -77.980 flat angles C4'-P-C4' energy: -84.938 flat angles P-C4'-P energy: -56.040 tors. eta vs tors. theta energy: -126.547 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: 134 Temperature: 1.050000 Total energy: -1457.095954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.095954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.095954 (E_RNA) where: Base-Base interactions energy: -1061.496 where: short stacking energy: -400.985 Base-Backbone interact. energy: -1.443 local terms energy: -394.156376 where: bonds (distance) C4'-P energy: -69.771 bonds (distance) P-C4' energy: -76.583 flat angles C4'-P-C4' energy: -75.231 flat angles P-C4'-P energy: -53.570 tors. eta vs tors. theta energy: -119.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1405.456887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.456887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.456887 (E_RNA) where: Base-Base interactions energy: -1023.137 where: short stacking energy: -395.082 Base-Backbone interact. energy: 1.378 local terms energy: -383.697751 where: bonds (distance) C4'-P energy: -55.642 bonds (distance) P-C4' energy: -70.370 flat angles C4'-P-C4' energy: -83.692 flat angles P-C4'-P energy: -54.146 tors. eta vs tors. theta energy: -119.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1341.524961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.524961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.524961 (E_RNA) where: Base-Base interactions energy: -974.352 where: short stacking energy: -375.210 Base-Backbone interact. energy: 3.579 local terms energy: -370.752692 where: bonds (distance) C4'-P energy: -60.178 bonds (distance) P-C4' energy: -68.836 flat angles C4'-P-C4' energy: -82.258 flat angles P-C4'-P energy: -54.230 tors. eta vs tors. theta energy: -105.250 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: 134 Temperature: 1.200000 Total energy: -1264.306137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.306137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.306137 (E_RNA) where: Base-Base interactions energy: -909.959 where: short stacking energy: -350.024 Base-Backbone interact. energy: 3.255 local terms energy: -357.602132 where: bonds (distance) C4'-P energy: -68.037 bonds (distance) P-C4' energy: -64.082 flat angles C4'-P-C4' energy: -80.186 flat angles P-C4'-P energy: -49.488 tors. eta vs tors. theta energy: -95.810 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: 3 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1263.113350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.113350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.113350 (E_RNA) where: Base-Base interactions energy: -896.961 where: short stacking energy: -347.108 Base-Backbone interact. energy: -0.275 local terms energy: -365.876764 where: bonds (distance) C4'-P energy: -66.362 bonds (distance) P-C4' energy: -60.465 flat angles C4'-P-C4' energy: -76.525 flat angles P-C4'-P energy: -65.421 tors. eta vs tors. theta energy: -97.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1200.791001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.791001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.791001 (E_RNA) where: Base-Base interactions energy: -854.742 where: short stacking energy: -332.870 Base-Backbone interact. energy: -0.995 local terms energy: -345.053968 where: bonds (distance) C4'-P energy: -64.109 bonds (distance) P-C4' energy: -67.578 flat angles C4'-P-C4' energy: -74.687 flat angles P-C4'-P energy: -44.823 tors. eta vs tors. theta energy: -93.857 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: 10, replica: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -1018.910918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.910918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.910918 (E_RNA) where: Base-Base interactions energy: -710.928 where: short stacking energy: -285.522 Base-Backbone interact. energy: 0.717 local terms energy: -308.700028 where: bonds (distance) C4'-P energy: -55.116 bonds (distance) P-C4' energy: -60.831 flat angles C4'-P-C4' energy: -65.872 flat angles P-C4'-P energy: -50.320 tors. eta vs tors. theta energy: -76.560 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: 135 Temperature: 0.900000 Total energy: -1699.058622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.058622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.058622 (E_RNA) where: Base-Base interactions energy: -1241.613 where: short stacking energy: -478.503 Base-Backbone interact. energy: -0.367 local terms energy: -457.078074 where: bonds (distance) C4'-P energy: -73.450 bonds (distance) P-C4' energy: -79.965 flat angles C4'-P-C4' energy: -92.468 flat angles P-C4'-P energy: -70.167 tors. eta vs tors. theta energy: -141.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1559.810525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.810525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.810525 (E_RNA) where: Base-Base interactions energy: -1143.941 where: short stacking energy: -459.014 Base-Backbone interact. energy: -0.708 local terms energy: -415.161961 where: bonds (distance) C4'-P energy: -68.639 bonds (distance) P-C4' energy: -65.519 flat angles C4'-P-C4' energy: -87.140 flat angles P-C4'-P energy: -64.127 tors. eta vs tors. theta energy: -129.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1544.047146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.047146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.047146 (E_RNA) where: Base-Base interactions energy: -1135.893 where: short stacking energy: -425.759 Base-Backbone interact. energy: 5.435 local terms energy: -413.589575 where: bonds (distance) C4'-P energy: -71.775 bonds (distance) P-C4' energy: -72.887 flat angles C4'-P-C4' energy: -85.064 flat angles P-C4'-P energy: -57.518 tors. eta vs tors. theta energy: -126.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1460.954645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.954645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.954645 (E_RNA) where: Base-Base interactions energy: -1058.159 where: short stacking energy: -419.424 Base-Backbone interact. energy: -1.530 local terms energy: -401.265583 where: bonds (distance) C4'-P energy: -60.563 bonds (distance) P-C4' energy: -70.104 flat angles C4'-P-C4' energy: -79.953 flat angles P-C4'-P energy: -65.187 tors. eta vs tors. theta energy: -125.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1445.997052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.997052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.997052 (E_RNA) where: Base-Base interactions energy: -1074.924 where: short stacking energy: -403.338 Base-Backbone interact. energy: -2.020 local terms energy: -369.052930 where: bonds (distance) C4'-P energy: -64.329 bonds (distance) P-C4' energy: -59.202 flat angles C4'-P-C4' energy: -77.951 flat angles P-C4'-P energy: -55.798 tors. eta vs tors. theta energy: -111.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1347.461256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.461256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.461256 (E_RNA) where: Base-Base interactions energy: -963.709 where: short stacking energy: -386.152 Base-Backbone interact. energy: -0.481 local terms energy: -383.271060 where: bonds (distance) C4'-P energy: -68.616 bonds (distance) P-C4' energy: -78.949 flat angles C4'-P-C4' energy: -79.387 flat angles P-C4'-P energy: -49.522 tors. eta vs tors. theta energy: -106.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1254.516272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.516272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.516272 (E_RNA) where: Base-Base interactions energy: -899.137 where: short stacking energy: -353.871 Base-Backbone interact. energy: -1.277 local terms energy: -354.102487 where: bonds (distance) C4'-P energy: -65.647 bonds (distance) P-C4' energy: -55.258 flat angles C4'-P-C4' energy: -74.570 flat angles P-C4'-P energy: -60.955 tors. eta vs tors. theta energy: -97.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1248.953981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.953981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.953981 (E_RNA) where: Base-Base interactions energy: -890.795 where: short stacking energy: -354.437 Base-Backbone interact. energy: -1.315 local terms energy: -356.844610 where: bonds (distance) C4'-P energy: -67.657 bonds (distance) P-C4' energy: -55.209 flat angles C4'-P-C4' energy: -73.441 flat angles P-C4'-P energy: -53.961 tors. eta vs tors. theta energy: -106.576 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: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1197.870087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.870087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.870087 (E_RNA) where: Base-Base interactions energy: -834.545 where: short stacking energy: -326.489 Base-Backbone interact. energy: -0.192 local terms energy: -363.133447 where: bonds (distance) C4'-P energy: -67.525 bonds (distance) P-C4' energy: -69.525 flat angles C4'-P-C4' energy: -74.454 flat angles P-C4'-P energy: -53.694 tors. eta vs tors. theta energy: -97.936 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: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -1038.260620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.260620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.260620 (E_RNA) where: Base-Base interactions energy: -748.989 where: short stacking energy: -276.707 Base-Backbone interact. energy: -0.498 local terms energy: -288.774400 where: bonds (distance) C4'-P energy: -51.484 bonds (distance) P-C4' energy: -51.854 flat angles C4'-P-C4' energy: -62.367 flat angles P-C4'-P energy: -43.109 tors. eta vs tors. theta energy: -79.959 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: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1672.882631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.882631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.882631 (E_RNA) where: Base-Base interactions energy: -1223.940 where: short stacking energy: -475.059 Base-Backbone interact. energy: -1.429 local terms energy: -447.513461 where: bonds (distance) C4'-P energy: -67.575 bonds (distance) P-C4' energy: -80.050 flat angles C4'-P-C4' energy: -92.116 flat angles P-C4'-P energy: -63.561 tors. eta vs tors. theta energy: -144.211 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: 10 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1569.742137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.742137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.742137 (E_RNA) where: Base-Base interactions energy: -1133.318 where: short stacking energy: -437.555 Base-Backbone interact. energy: -1.490 local terms energy: -434.933435 where: bonds (distance) C4'-P energy: -76.560 bonds (distance) P-C4' energy: -75.024 flat angles C4'-P-C4' energy: -89.550 flat angles P-C4'-P energy: -63.965 tors. eta vs tors. theta energy: -129.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1551.692305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.692305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.692305 (E_RNA) where: Base-Base interactions energy: -1139.805 where: short stacking energy: -430.274 Base-Backbone interact. energy: -0.191 local terms energy: -411.696455 where: bonds (distance) C4'-P energy: -73.379 bonds (distance) P-C4' energy: -71.549 flat angles C4'-P-C4' energy: -84.916 flat angles P-C4'-P energy: -56.164 tors. eta vs tors. theta energy: -125.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1443.853539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.853539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.853539 (E_RNA) where: Base-Base interactions energy: -1021.820 where: short stacking energy: -404.882 Base-Backbone interact. energy: -1.403 local terms energy: -420.630421 where: bonds (distance) C4'-P energy: -77.543 bonds (distance) P-C4' energy: -79.788 flat angles C4'-P-C4' energy: -84.349 flat angles P-C4'-P energy: -63.084 tors. eta vs tors. theta energy: -115.866 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: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1447.521536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.521536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.521536 (E_RNA) where: Base-Base interactions energy: -1062.266 where: short stacking energy: -400.105 Base-Backbone interact. energy: -2.296 local terms energy: -382.959723 where: bonds (distance) C4'-P energy: -69.254 bonds (distance) P-C4' energy: -67.147 flat angles C4'-P-C4' energy: -78.315 flat angles P-C4'-P energy: -55.465 tors. eta vs tors. theta energy: -112.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1342.002608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.002608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.002608 (E_RNA) where: Base-Base interactions energy: -959.561 where: short stacking energy: -365.275 Base-Backbone interact. energy: -0.244 local terms energy: -382.197191 where: bonds (distance) C4'-P energy: -78.960 bonds (distance) P-C4' energy: -70.099 flat angles C4'-P-C4' energy: -70.744 flat angles P-C4'-P energy: -50.266 tors. eta vs tors. theta energy: -112.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1278.488484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.488484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.488484 (E_RNA) where: Base-Base interactions energy: -913.804 where: short stacking energy: -358.595 Base-Backbone interact. energy: -0.185 local terms energy: -364.498977 where: bonds (distance) C4'-P energy: -67.359 bonds (distance) P-C4' energy: -61.598 flat angles C4'-P-C4' energy: -80.154 flat angles P-C4'-P energy: -51.848 tors. eta vs tors. theta energy: -103.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1261.413985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.413985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.413985 (E_RNA) where: Base-Base interactions energy: -900.613 where: short stacking energy: -373.289 Base-Backbone interact. energy: 0.081 local terms energy: -360.881933 where: bonds (distance) C4'-P energy: -59.293 bonds (distance) P-C4' energy: -64.199 flat angles C4'-P-C4' energy: -77.513 flat angles P-C4'-P energy: -47.670 tors. eta vs tors. theta energy: -112.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1226.236026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.236026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.236026 (E_RNA) where: Base-Base interactions energy: -875.960 where: short stacking energy: -352.600 Base-Backbone interact. energy: 0.525 local terms energy: -350.800764 where: bonds (distance) C4'-P energy: -60.438 bonds (distance) P-C4' energy: -74.708 flat angles C4'-P-C4' energy: -77.225 flat angles P-C4'-P energy: -39.763 tors. eta vs tors. theta energy: -98.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -1110.203508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.203508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.203508 (E_RNA) where: Base-Base interactions energy: -802.776 where: short stacking energy: -329.229 Base-Backbone interact. energy: -1.362 local terms energy: -306.065143 where: bonds (distance) C4'-P energy: -53.273 bonds (distance) P-C4' energy: -62.793 flat angles C4'-P-C4' energy: -76.516 flat angles P-C4'-P energy: -27.390 tors. eta vs tors. theta energy: -86.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1699.404842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.404842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.404842 (E_RNA) where: Base-Base interactions energy: -1254.033 where: short stacking energy: -488.079 Base-Backbone interact. energy: -1.361 local terms energy: -444.011409 where: bonds (distance) C4'-P energy: -85.300 bonds (distance) P-C4' energy: -68.650 flat angles C4'-P-C4' energy: -88.995 flat angles P-C4'-P energy: -58.833 tors. eta vs tors. theta energy: -142.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1578.652001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.652001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.652001 (E_RNA) where: Base-Base interactions energy: -1153.817 where: short stacking energy: -424.671 Base-Backbone interact. energy: 5.767 local terms energy: -430.601945 where: bonds (distance) C4'-P energy: -79.593 bonds (distance) P-C4' energy: -75.624 flat angles C4'-P-C4' energy: -91.688 flat angles P-C4'-P energy: -54.536 tors. eta vs tors. theta energy: -129.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1550.833652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.833652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.833652 (E_RNA) where: Base-Base interactions energy: -1116.954 where: short stacking energy: -437.863 Base-Backbone interact. energy: 0.324 local terms energy: -434.203385 where: bonds (distance) C4'-P energy: -71.900 bonds (distance) P-C4' energy: -70.475 flat angles C4'-P-C4' energy: -94.003 flat angles P-C4'-P energy: -60.755 tors. eta vs tors. theta energy: -137.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1437.622458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.622458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.622458 (E_RNA) where: Base-Base interactions energy: -1034.615 where: short stacking energy: -399.970 Base-Backbone interact. energy: 1.649 local terms energy: -404.656321 where: bonds (distance) C4'-P energy: -77.710 bonds (distance) P-C4' energy: -58.211 flat angles C4'-P-C4' energy: -88.356 flat angles P-C4'-P energy: -61.192 tors. eta vs tors. theta energy: -119.187 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: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1427.746145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.746145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.746145 (E_RNA) where: Base-Base interactions energy: -1052.641 where: short stacking energy: -415.446 Base-Backbone interact. energy: -1.820 local terms energy: -373.285551 where: bonds (distance) C4'-P energy: -64.087 bonds (distance) P-C4' energy: -66.338 flat angles C4'-P-C4' energy: -80.619 flat angles P-C4'-P energy: -45.282 tors. eta vs tors. theta energy: -116.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1344.432849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.432849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.432849 (E_RNA) where: Base-Base interactions energy: -977.525 where: short stacking energy: -384.190 Base-Backbone interact. energy: -1.037 local terms energy: -365.870051 where: bonds (distance) C4'-P energy: -66.599 bonds (distance) P-C4' energy: -58.803 flat angles C4'-P-C4' energy: -81.179 flat angles P-C4'-P energy: -53.828 tors. eta vs tors. theta energy: -105.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1271.036062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.036062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.036062 (E_RNA) where: Base-Base interactions energy: -915.976 where: short stacking energy: -363.848 Base-Backbone interact. energy: -1.000 local terms energy: -354.060264 where: bonds (distance) C4'-P energy: -55.255 bonds (distance) P-C4' energy: -55.224 flat angles C4'-P-C4' energy: -85.524 flat angles P-C4'-P energy: -57.534 tors. eta vs tors. theta energy: -100.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1235.768951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.768951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.768951 (E_RNA) where: Base-Base interactions energy: -895.064 where: short stacking energy: -343.555 Base-Backbone interact. energy: -0.775 local terms energy: -339.930660 where: bonds (distance) C4'-P energy: -59.060 bonds (distance) P-C4' energy: -73.234 flat angles C4'-P-C4' energy: -68.964 flat angles P-C4'-P energy: -48.567 tors. eta vs tors. theta energy: -90.105 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: 2 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1212.371440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.371440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.371440 (E_RNA) where: Base-Base interactions energy: -866.141 where: short stacking energy: -354.800 Base-Backbone interact. energy: -3.140 local terms energy: -343.090791 where: bonds (distance) C4'-P energy: -59.788 bonds (distance) P-C4' energy: -66.667 flat angles C4'-P-C4' energy: -59.226 flat angles P-C4'-P energy: -53.389 tors. eta vs tors. theta energy: -104.021 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: 8 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -1113.311738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.311738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.311738 (E_RNA) where: Base-Base interactions energy: -784.383 where: short stacking energy: -308.809 Base-Backbone interact. energy: -0.382 local terms energy: -328.547257 where: bonds (distance) C4'-P energy: -51.232 bonds (distance) P-C4' energy: -73.453 flat angles C4'-P-C4' energy: -70.223 flat angles P-C4'-P energy: -45.934 tors. eta vs tors. theta energy: -87.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1699.737886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.737886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.737886 (E_RNA) where: Base-Base interactions energy: -1242.042 where: short stacking energy: -486.820 Base-Backbone interact. energy: -0.419 local terms energy: -457.277181 where: bonds (distance) C4'-P energy: -74.059 bonds (distance) P-C4' energy: -77.367 flat angles C4'-P-C4' energy: -93.216 flat angles P-C4'-P energy: -67.214 tors. eta vs tors. theta energy: -145.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1575.545535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.545535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.545535 (E_RNA) where: Base-Base interactions energy: -1164.427 where: short stacking energy: -445.782 Base-Backbone interact. energy: -0.219 local terms energy: -410.899139 where: bonds (distance) C4'-P energy: -65.298 bonds (distance) P-C4' energy: -74.348 flat angles C4'-P-C4' energy: -81.641 flat angles P-C4'-P energy: -57.760 tors. eta vs tors. theta energy: -131.852 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: 10 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1547.427917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.427917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.427917 (E_RNA) where: Base-Base interactions energy: -1114.197 where: short stacking energy: -447.629 Base-Backbone interact. energy: -0.314 local terms energy: -432.916839 where: bonds (distance) C4'-P energy: -70.246 bonds (distance) P-C4' energy: -69.701 flat angles C4'-P-C4' energy: -88.169 flat angles P-C4'-P energy: -71.257 tors. eta vs tors. theta energy: -133.544 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: 4, replica: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1452.182035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.182035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.182035 (E_RNA) where: Base-Base interactions energy: -1039.474 where: short stacking energy: -421.110 Base-Backbone interact. energy: 0.778 local terms energy: -413.485553 where: bonds (distance) C4'-P energy: -82.230 bonds (distance) P-C4' energy: -69.793 flat angles C4'-P-C4' energy: -85.957 flat angles P-C4'-P energy: -58.920 tors. eta vs tors. theta energy: -116.586 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: 138 Temperature: 1.100000 Total energy: -1445.714380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.714380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.714380 (E_RNA) where: Base-Base interactions energy: -1069.236 where: short stacking energy: -405.302 Base-Backbone interact. energy: -0.137 local terms energy: -376.341419 where: bonds (distance) C4'-P energy: -73.250 bonds (distance) P-C4' energy: -58.360 flat angles C4'-P-C4' energy: -83.504 flat angles P-C4'-P energy: -54.277 tors. eta vs tors. theta energy: -106.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1337.052477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.052477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.052477 (E_RNA) where: Base-Base interactions energy: -953.516 where: short stacking energy: -385.890 Base-Backbone interact. energy: 1.295 local terms energy: -384.830562 where: bonds (distance) C4'-P energy: -66.582 bonds (distance) P-C4' energy: -77.224 flat angles C4'-P-C4' energy: -77.818 flat angles P-C4'-P energy: -55.096 tors. eta vs tors. theta energy: -108.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1289.771805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.771805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.771805 (E_RNA) where: Base-Base interactions energy: -938.241 where: short stacking energy: -363.231 Base-Backbone interact. energy: -0.151 local terms energy: -351.379114 where: bonds (distance) C4'-P energy: -61.474 bonds (distance) P-C4' energy: -63.540 flat angles C4'-P-C4' energy: -84.109 flat angles P-C4'-P energy: -46.535 tors. eta vs tors. theta energy: -95.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1209.659957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.659957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.659957 (E_RNA) where: Base-Base interactions energy: -859.529 where: short stacking energy: -347.528 Base-Backbone interact. energy: -0.184 local terms energy: -349.947185 where: bonds (distance) C4'-P energy: -65.122 bonds (distance) P-C4' energy: -73.638 flat angles C4'-P-C4' energy: -69.273 flat angles P-C4'-P energy: -40.809 tors. eta vs tors. theta energy: -101.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1170.659643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.659643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.659643 (E_RNA) where: Base-Base interactions energy: -830.427 where: short stacking energy: -327.457 Base-Backbone interact. energy: -0.350 local terms energy: -339.882594 where: bonds (distance) C4'-P energy: -59.866 bonds (distance) P-C4' energy: -63.394 flat angles C4'-P-C4' energy: -83.265 flat angles P-C4'-P energy: -48.598 tors. eta vs tors. theta energy: -84.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -1107.601525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.601525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.601525 (E_RNA) where: Base-Base interactions energy: -800.731 where: short stacking energy: -311.225 Base-Backbone interact. energy: -1.177 local terms energy: -305.693858 where: bonds (distance) C4'-P energy: -59.976 bonds (distance) P-C4' energy: -45.571 flat angles C4'-P-C4' energy: -66.912 flat angles P-C4'-P energy: -48.773 tors. eta vs tors. theta energy: -84.462 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: 5 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1697.732934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.732934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.732934 (E_RNA) where: Base-Base interactions energy: -1244.645 where: short stacking energy: -491.708 Base-Backbone interact. energy: -0.647 local terms energy: -452.441149 where: bonds (distance) C4'-P energy: -77.384 bonds (distance) P-C4' energy: -78.559 flat angles C4'-P-C4' energy: -86.307 flat angles P-C4'-P energy: -63.214 tors. eta vs tors. theta energy: -146.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1567.652136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.652136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.652136 (E_RNA) where: Base-Base interactions energy: -1152.136 where: short stacking energy: -438.969 Base-Backbone interact. energy: -1.998 local terms energy: -413.518386 where: bonds (distance) C4'-P energy: -67.213 bonds (distance) P-C4' energy: -76.943 flat angles C4'-P-C4' energy: -85.897 flat angles P-C4'-P energy: -55.019 tors. eta vs tors. theta energy: -128.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1541.898333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.898333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.898333 (E_RNA) where: Base-Base interactions energy: -1110.467 where: short stacking energy: -450.207 Base-Backbone interact. energy: -0.965 local terms energy: -430.466536 where: bonds (distance) C4'-P energy: -80.638 bonds (distance) P-C4' energy: -75.729 flat angles C4'-P-C4' energy: -84.507 flat angles P-C4'-P energy: -61.908 tors. eta vs tors. theta energy: -127.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1429.709407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.709407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.709407 (E_RNA) where: Base-Base interactions energy: -1037.997 where: short stacking energy: -395.203 Base-Backbone interact. energy: 0.254 local terms energy: -391.966752 where: bonds (distance) C4'-P energy: -70.232 bonds (distance) P-C4' energy: -73.298 flat angles C4'-P-C4' energy: -81.582 flat angles P-C4'-P energy: -54.443 tors. eta vs tors. theta energy: -112.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1423.404289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.404289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.404289 (E_RNA) where: Base-Base interactions energy: -1048.933 where: short stacking energy: -401.806 Base-Backbone interact. energy: 2.998 local terms energy: -377.468922 where: bonds (distance) C4'-P energy: -58.723 bonds (distance) P-C4' energy: -62.623 flat angles C4'-P-C4' energy: -86.991 flat angles P-C4'-P energy: -57.242 tors. eta vs tors. theta energy: -111.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1341.382512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.382512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.382512 (E_RNA) where: Base-Base interactions energy: -944.457 where: short stacking energy: -367.220 Base-Backbone interact. energy: -0.866 local terms energy: -396.059488 where: bonds (distance) C4'-P energy: -62.027 bonds (distance) P-C4' energy: -71.914 flat angles C4'-P-C4' energy: -90.057 flat angles P-C4'-P energy: -59.357 tors. eta vs tors. theta energy: -112.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1282.120640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.120640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.120640 (E_RNA) where: Base-Base interactions energy: -915.819 where: short stacking energy: -378.094 Base-Backbone interact. energy: 1.197 local terms energy: -367.498754 where: bonds (distance) C4'-P energy: -69.824 bonds (distance) P-C4' energy: -61.953 flat angles C4'-P-C4' energy: -78.241 flat angles P-C4'-P energy: -45.194 tors. eta vs tors. theta energy: -112.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1224.712647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.712647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.712647 (E_RNA) where: Base-Base interactions energy: -872.768 where: short stacking energy: -349.731 Base-Backbone interact. energy: 0.033 local terms energy: -351.977492 where: bonds (distance) C4'-P energy: -67.684 bonds (distance) P-C4' energy: -56.724 flat angles C4'-P-C4' energy: -76.291 flat angles P-C4'-P energy: -48.563 tors. eta vs tors. theta energy: -102.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1208.056330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.056330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.056330 (E_RNA) where: Base-Base interactions energy: -856.143 where: short stacking energy: -348.963 Base-Backbone interact. energy: -0.946 local terms energy: -350.967256 where: bonds (distance) C4'-P energy: -57.346 bonds (distance) P-C4' energy: -61.874 flat angles C4'-P-C4' energy: -75.601 flat angles P-C4'-P energy: -57.906 tors. eta vs tors. theta energy: -98.242 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: 8 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -1041.178449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.178449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.178449 (E_RNA) where: Base-Base interactions energy: -729.886 where: short stacking energy: -281.793 Base-Backbone interact. energy: -1.924 local terms energy: -309.368505 where: bonds (distance) C4'-P energy: -55.191 bonds (distance) P-C4' energy: -63.789 flat angles C4'-P-C4' energy: -75.693 flat angles P-C4'-P energy: -39.413 tors. eta vs tors. theta energy: -75.282 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: 5 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1707.138736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.138736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.138736 (E_RNA) where: Base-Base interactions energy: -1250.099 where: short stacking energy: -488.825 Base-Backbone interact. energy: -0.281 local terms energy: -456.759371 where: bonds (distance) C4'-P energy: -73.142 bonds (distance) P-C4' energy: -78.330 flat angles C4'-P-C4' energy: -89.393 flat angles P-C4'-P energy: -71.737 tors. eta vs tors. theta energy: -144.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1574.736569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.736569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.736569 (E_RNA) where: Base-Base interactions energy: -1149.086 where: short stacking energy: -447.667 Base-Backbone interact. energy: 2.037 local terms energy: -427.687267 where: bonds (distance) C4'-P energy: -80.017 bonds (distance) P-C4' energy: -78.058 flat angles C4'-P-C4' energy: -80.987 flat angles P-C4'-P energy: -57.031 tors. eta vs tors. theta energy: -131.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1548.540733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.540733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.540733 (E_RNA) where: Base-Base interactions energy: -1119.438 where: short stacking energy: -440.642 Base-Backbone interact. energy: 0.239 local terms energy: -429.341418 where: bonds (distance) C4'-P energy: -72.120 bonds (distance) P-C4' energy: -67.400 flat angles C4'-P-C4' energy: -93.388 flat angles P-C4'-P energy: -59.659 tors. eta vs tors. theta energy: -136.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1414.450298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.450298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.450298 (E_RNA) where: Base-Base interactions energy: -1012.974 where: short stacking energy: -384.628 Base-Backbone interact. energy: -1.584 local terms energy: -399.892076 where: bonds (distance) C4'-P energy: -69.729 bonds (distance) P-C4' energy: -75.374 flat angles C4'-P-C4' energy: -89.716 flat angles P-C4'-P energy: -57.593 tors. eta vs tors. theta energy: -107.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1350.649981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.649981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.649981 (E_RNA) where: Base-Base interactions energy: -969.495 where: short stacking energy: -392.495 Base-Backbone interact. energy: 1.771 local terms energy: -382.925574 where: bonds (distance) C4'-P energy: -71.170 bonds (distance) P-C4' energy: -67.950 flat angles C4'-P-C4' energy: -72.793 flat angles P-C4'-P energy: -55.280 tors. eta vs tors. theta energy: -115.733 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: 6 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1403.497674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.497674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.497674 (E_RNA) where: Base-Base interactions energy: -1020.773 where: short stacking energy: -397.575 Base-Backbone interact. energy: 0.178 local terms energy: -382.902654 where: bonds (distance) C4'-P energy: -54.872 bonds (distance) P-C4' energy: -69.784 flat angles C4'-P-C4' energy: -79.833 flat angles P-C4'-P energy: -63.125 tors. eta vs tors. theta energy: -115.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1270.705573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.705573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.705573 (E_RNA) where: Base-Base interactions energy: -907.631 where: short stacking energy: -356.239 Base-Backbone interact. energy: -0.131 local terms energy: -362.943805 where: bonds (distance) C4'-P energy: -71.371 bonds (distance) P-C4' energy: -68.081 flat angles C4'-P-C4' energy: -76.277 flat angles P-C4'-P energy: -45.138 tors. eta vs tors. theta energy: -102.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1210.292173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.292173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.292173 (E_RNA) where: Base-Base interactions energy: -857.359 where: short stacking energy: -343.070 Base-Backbone interact. energy: 1.344 local terms energy: -354.276575 where: bonds (distance) C4'-P energy: -65.740 bonds (distance) P-C4' energy: -67.170 flat angles C4'-P-C4' energy: -67.828 flat angles P-C4'-P energy: -59.610 tors. eta vs tors. theta energy: -93.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1219.535170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.535170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.535170 (E_RNA) where: Base-Base interactions energy: -874.926 where: short stacking energy: -338.880 Base-Backbone interact. energy: -0.782 local terms energy: -343.827491 where: bonds (distance) C4'-P energy: -58.231 bonds (distance) P-C4' energy: -65.892 flat angles C4'-P-C4' energy: -68.975 flat angles P-C4'-P energy: -48.585 tors. eta vs tors. theta energy: -102.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -1109.398593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.398593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.398593 (E_RNA) where: Base-Base interactions energy: -788.535 where: short stacking energy: -327.554 Base-Backbone interact. energy: -0.870 local terms energy: -319.993309 where: bonds (distance) C4'-P energy: -72.382 bonds (distance) P-C4' energy: -47.248 flat angles C4'-P-C4' energy: -67.368 flat angles P-C4'-P energy: -44.738 tors. eta vs tors. theta energy: -88.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1691.425451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.425451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.425451 (E_RNA) where: Base-Base interactions energy: -1243.243 where: short stacking energy: -494.399 Base-Backbone interact. energy: 1.269 local terms energy: -449.451367 where: bonds (distance) C4'-P energy: -79.842 bonds (distance) P-C4' energy: -75.310 flat angles C4'-P-C4' energy: -91.116 flat angles P-C4'-P energy: -58.315 tors. eta vs tors. theta energy: -144.868 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: 141 Temperature: 0.950000 Total energy: -1569.248762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.248762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.248762 (E_RNA) where: Base-Base interactions energy: -1144.798 where: short stacking energy: -462.461 Base-Backbone interact. energy: -0.881 local terms energy: -423.569607 where: bonds (distance) C4'-P energy: -71.362 bonds (distance) P-C4' energy: -63.474 flat angles C4'-P-C4' energy: -87.841 flat angles P-C4'-P energy: -62.372 tors. eta vs tors. theta energy: -138.520 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: 141 Temperature: 1.000000 Total energy: -1561.602524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.602524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.602524 (E_RNA) where: Base-Base interactions energy: -1141.192 where: short stacking energy: -433.536 Base-Backbone interact. energy: -0.623 local terms energy: -419.787614 where: bonds (distance) C4'-P energy: -72.629 bonds (distance) P-C4' energy: -79.441 flat angles C4'-P-C4' energy: -82.234 flat angles P-C4'-P energy: -63.126 tors. eta vs tors. theta energy: -122.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1415.618521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.618521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.618521 (E_RNA) where: Base-Base interactions energy: -1019.468 where: short stacking energy: -401.508 Base-Backbone interact. energy: -2.247 local terms energy: -393.903523 where: bonds (distance) C4'-P energy: -64.799 bonds (distance) P-C4' energy: -71.475 flat angles C4'-P-C4' energy: -87.451 flat angles P-C4'-P energy: -59.884 tors. eta vs tors. theta energy: -110.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1355.619079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.619079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.619079 (E_RNA) where: Base-Base interactions energy: -954.942 where: short stacking energy: -380.537 Base-Backbone interact. energy: -0.425 local terms energy: -400.252322 where: bonds (distance) C4'-P energy: -64.865 bonds (distance) P-C4' energy: -73.695 flat angles C4'-P-C4' energy: -89.479 flat angles P-C4'-P energy: -56.862 tors. eta vs tors. theta energy: -115.351 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: 6 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1397.298126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.298126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.298126 (E_RNA) where: Base-Base interactions energy: -1018.082 where: short stacking energy: -386.652 Base-Backbone interact. energy: -2.564 local terms energy: -376.652086 where: bonds (distance) C4'-P energy: -61.418 bonds (distance) P-C4' energy: -64.121 flat angles C4'-P-C4' energy: -77.386 flat angles P-C4'-P energy: -58.149 tors. eta vs tors. theta energy: -115.578 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: 3 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1261.415314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.415314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.415314 (E_RNA) where: Base-Base interactions energy: -908.558 where: short stacking energy: -350.789 Base-Backbone interact. energy: -0.198 local terms energy: -352.659754 where: bonds (distance) C4'-P energy: -70.385 bonds (distance) P-C4' energy: -57.008 flat angles C4'-P-C4' energy: -74.500 flat angles P-C4'-P energy: -46.984 tors. eta vs tors. theta energy: -103.782 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: 4 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1226.180818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.180818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.180818 (E_RNA) where: Base-Base interactions energy: -874.507 where: short stacking energy: -352.883 Base-Backbone interact. energy: 2.084 local terms energy: -353.758002 where: bonds (distance) C4'-P energy: -59.360 bonds (distance) P-C4' energy: -70.587 flat angles C4'-P-C4' energy: -72.384 flat angles P-C4'-P energy: -51.472 tors. eta vs tors. theta energy: -99.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1164.530929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.530929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.530929 (E_RNA) where: Base-Base interactions energy: -831.090 where: short stacking energy: -352.488 Base-Backbone interact. energy: -0.394 local terms energy: -333.047184 where: bonds (distance) C4'-P energy: -59.887 bonds (distance) P-C4' energy: -48.881 flat angles C4'-P-C4' energy: -71.719 flat angles P-C4'-P energy: -52.400 tors. eta vs tors. theta energy: -100.160 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: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -1077.192759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.192759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.192759 (E_RNA) where: Base-Base interactions energy: -793.828 where: short stacking energy: -313.617 Base-Backbone interact. energy: -1.055 local terms energy: -282.310154 where: bonds (distance) C4'-P energy: -56.323 bonds (distance) P-C4' energy: -42.826 flat angles C4'-P-C4' energy: -59.834 flat angles P-C4'-P energy: -46.111 tors. eta vs tors. theta energy: -77.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1681.782804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.782804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.782804 (E_RNA) where: Base-Base interactions energy: -1224.479 where: short stacking energy: -479.949 Base-Backbone interact. energy: -0.314 local terms energy: -456.990104 where: bonds (distance) C4'-P energy: -79.991 bonds (distance) P-C4' energy: -79.984 flat angles C4'-P-C4' energy: -85.744 flat angles P-C4'-P energy: -65.181 tors. eta vs tors. theta energy: -146.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1565.611064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.611064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.611064 (E_RNA) where: Base-Base interactions energy: -1126.392 where: short stacking energy: -457.644 Base-Backbone interact. energy: -0.955 local terms energy: -438.263264 where: bonds (distance) C4'-P energy: -76.535 bonds (distance) P-C4' energy: -75.166 flat angles C4'-P-C4' energy: -88.016 flat angles P-C4'-P energy: -61.392 tors. eta vs tors. theta energy: -137.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1561.142864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.142864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.142864 (E_RNA) where: Base-Base interactions energy: -1146.032 where: short stacking energy: -448.517 Base-Backbone interact. energy: 0.539 local terms energy: -415.649841 where: bonds (distance) C4'-P energy: -66.194 bonds (distance) P-C4' energy: -78.005 flat angles C4'-P-C4' energy: -85.397 flat angles P-C4'-P energy: -59.458 tors. eta vs tors. theta energy: -126.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1431.216510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.216510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.216510 (E_RNA) where: Base-Base interactions energy: -1017.927 where: short stacking energy: -398.357 Base-Backbone interact. energy: -0.812 local terms energy: -412.477353 where: bonds (distance) C4'-P energy: -75.896 bonds (distance) P-C4' energy: -72.603 flat angles C4'-P-C4' energy: -79.889 flat angles P-C4'-P energy: -68.178 tors. eta vs tors. theta energy: -115.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1346.088503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.088503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.088503 (E_RNA) where: Base-Base interactions energy: -969.748 where: short stacking energy: -370.060 Base-Backbone interact. energy: -2.082 local terms energy: -374.258814 where: bonds (distance) C4'-P energy: -73.003 bonds (distance) P-C4' energy: -68.305 flat angles C4'-P-C4' energy: -81.858 flat angles P-C4'-P energy: -44.435 tors. eta vs tors. theta energy: -106.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1406.640430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.640430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.640430 (E_RNA) where: Base-Base interactions energy: -1028.306 where: short stacking energy: -400.145 Base-Backbone interact. energy: 0.757 local terms energy: -379.091204 where: bonds (distance) C4'-P energy: -53.368 bonds (distance) P-C4' energy: -76.075 flat angles C4'-P-C4' energy: -76.407 flat angles P-C4'-P energy: -57.938 tors. eta vs tors. theta energy: -115.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1222.148069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.148069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.148069 (E_RNA) where: Base-Base interactions energy: -884.035 where: short stacking energy: -340.149 Base-Backbone interact. energy: -1.955 local terms energy: -336.158078 where: bonds (distance) C4'-P energy: -65.828 bonds (distance) P-C4' energy: -68.631 flat angles C4'-P-C4' energy: -77.477 flat angles P-C4'-P energy: -38.913 tors. eta vs tors. theta energy: -85.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1257.684549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.684549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.684549 (E_RNA) where: Base-Base interactions energy: -911.828 where: short stacking energy: -353.876 Base-Backbone interact. energy: -0.510 local terms energy: -345.346062 where: bonds (distance) C4'-P energy: -50.041 bonds (distance) P-C4' energy: -61.464 flat angles C4'-P-C4' energy: -75.616 flat angles P-C4'-P energy: -56.005 tors. eta vs tors. theta energy: -102.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1160.549127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.549127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.549127 (E_RNA) where: Base-Base interactions energy: -820.108 where: short stacking energy: -338.507 Base-Backbone interact. energy: 4.234 local terms energy: -344.675802 where: bonds (distance) C4'-P energy: -64.428 bonds (distance) P-C4' energy: -55.133 flat angles C4'-P-C4' energy: -69.791 flat angles P-C4'-P energy: -58.156 tors. eta vs tors. theta energy: -97.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -1072.441609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.441609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.441609 (E_RNA) where: Base-Base interactions energy: -773.899 where: short stacking energy: -315.841 Base-Backbone interact. energy: -1.302 local terms energy: -297.241365 where: bonds (distance) C4'-P energy: -56.743 bonds (distance) P-C4' energy: -47.441 flat angles C4'-P-C4' energy: -55.867 flat angles P-C4'-P energy: -48.150 tors. eta vs tors. theta energy: -89.041 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: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1688.385071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.385071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.385071 (E_RNA) where: Base-Base interactions energy: -1235.417 where: short stacking energy: -488.229 Base-Backbone interact. energy: -0.171 local terms energy: -452.797125 where: bonds (distance) C4'-P energy: -77.365 bonds (distance) P-C4' energy: -69.587 flat angles C4'-P-C4' energy: -92.273 flat angles P-C4'-P energy: -68.625 tors. eta vs tors. theta energy: -144.946 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: 2, replica: 10 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1579.436394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.436394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.436394 (E_RNA) where: Base-Base interactions energy: -1125.199 where: short stacking energy: -450.104 Base-Backbone interact. energy: -1.161 local terms energy: -453.077127 where: bonds (distance) C4'-P energy: -81.917 bonds (distance) P-C4' energy: -68.807 flat angles C4'-P-C4' energy: -96.613 flat angles P-C4'-P energy: -68.509 tors. eta vs tors. theta energy: -137.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1554.559859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.559859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.559859 (E_RNA) where: Base-Base interactions energy: -1151.675 where: short stacking energy: -439.674 Base-Backbone interact. energy: 4.651 local terms energy: -407.535723 where: bonds (distance) C4'-P energy: -64.021 bonds (distance) P-C4' energy: -68.735 flat angles C4'-P-C4' energy: -80.663 flat angles P-C4'-P energy: -66.488 tors. eta vs tors. theta energy: -127.629 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: 7 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1372.789271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.789271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.789271 (E_RNA) where: Base-Base interactions energy: -992.977 where: short stacking energy: -379.036 Base-Backbone interact. energy: -0.498 local terms energy: -379.314151 where: bonds (distance) C4'-P energy: -77.761 bonds (distance) P-C4' energy: -60.327 flat angles C4'-P-C4' energy: -80.204 flat angles P-C4'-P energy: -54.402 tors. eta vs tors. theta energy: -106.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1417.396266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.396266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.396266 (E_RNA) where: Base-Base interactions energy: -1032.812 where: short stacking energy: -397.998 Base-Backbone interact. energy: -1.962 local terms energy: -382.622232 where: bonds (distance) C4'-P energy: -55.761 bonds (distance) P-C4' energy: -76.400 flat angles C4'-P-C4' energy: -87.113 flat angles P-C4'-P energy: -57.003 tors. eta vs tors. theta energy: -106.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1413.715228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.715228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.715228 (E_RNA) where: Base-Base interactions energy: -1046.918 where: short stacking energy: -409.519 Base-Backbone interact. energy: -1.436 local terms energy: -365.361402 where: bonds (distance) C4'-P energy: -61.667 bonds (distance) P-C4' energy: -64.516 flat angles C4'-P-C4' energy: -69.214 flat angles P-C4'-P energy: -58.693 tors. eta vs tors. theta energy: -111.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1206.135833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.135833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.135833 (E_RNA) where: Base-Base interactions energy: -852.675 where: short stacking energy: -332.992 Base-Backbone interact. energy: -1.472 local terms energy: -351.988653 where: bonds (distance) C4'-P energy: -74.216 bonds (distance) P-C4' energy: -70.682 flat angles C4'-P-C4' energy: -72.463 flat angles P-C4'-P energy: -45.400 tors. eta vs tors. theta energy: -89.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1238.605074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.605074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.605074 (E_RNA) where: Base-Base interactions energy: -887.287 where: short stacking energy: -356.144 Base-Backbone interact. energy: -0.499 local terms energy: -350.819043 where: bonds (distance) C4'-P energy: -67.770 bonds (distance) P-C4' energy: -58.894 flat angles C4'-P-C4' energy: -68.370 flat angles P-C4'-P energy: -49.378 tors. eta vs tors. theta energy: -106.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1224.913888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.913888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.913888 (E_RNA) where: Base-Base interactions energy: -881.616 where: short stacking energy: -337.733 Base-Backbone interact. energy: -1.482 local terms energy: -341.815927 where: bonds (distance) C4'-P energy: -56.464 bonds (distance) P-C4' energy: -72.015 flat angles C4'-P-C4' energy: -72.817 flat angles P-C4'-P energy: -49.178 tors. eta vs tors. theta energy: -91.342 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: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -1038.862231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.862231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.862231 (E_RNA) where: Base-Base interactions energy: -720.884 where: short stacking energy: -288.481 Base-Backbone interact. energy: 5.024 local terms energy: -323.001709 where: bonds (distance) C4'-P energy: -60.749 bonds (distance) P-C4' energy: -70.906 flat angles C4'-P-C4' energy: -69.955 flat angles P-C4'-P energy: -42.676 tors. eta vs tors. theta energy: -78.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1677.720590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.720590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.720590 (E_RNA) where: Base-Base interactions energy: -1232.360 where: short stacking energy: -492.501 Base-Backbone interact. energy: -0.439 local terms energy: -444.921298 where: bonds (distance) C4'-P energy: -68.829 bonds (distance) P-C4' energy: -77.060 flat angles C4'-P-C4' energy: -91.312 flat angles P-C4'-P energy: -59.324 tors. eta vs tors. theta energy: -148.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1575.758242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.758242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.758242 (E_RNA) where: Base-Base interactions energy: -1143.780 where: short stacking energy: -467.668 Base-Backbone interact. energy: -0.315 local terms energy: -431.663457 where: bonds (distance) C4'-P energy: -67.957 bonds (distance) P-C4' energy: -75.117 flat angles C4'-P-C4' energy: -90.594 flat angles P-C4'-P energy: -59.801 tors. eta vs tors. theta energy: -138.195 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: 9 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1559.343788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.343788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.343788 (E_RNA) where: Base-Base interactions energy: -1140.933 where: short stacking energy: -440.638 Base-Backbone interact. energy: 0.094 local terms energy: -418.505165 where: bonds (distance) C4'-P energy: -75.844 bonds (distance) P-C4' energy: -78.452 flat angles C4'-P-C4' energy: -80.928 flat angles P-C4'-P energy: -60.145 tors. eta vs tors. theta energy: -123.136 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: 7 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1387.702098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.702098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.702098 (E_RNA) where: Base-Base interactions energy: -978.668 where: short stacking energy: -391.265 Base-Backbone interact. energy: -1.082 local terms energy: -407.952279 where: bonds (distance) C4'-P energy: -76.582 bonds (distance) P-C4' energy: -74.583 flat angles C4'-P-C4' energy: -86.996 flat angles P-C4'-P energy: -52.275 tors. eta vs tors. theta energy: -117.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1397.162107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.162107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.162107 (E_RNA) where: Base-Base interactions energy: -1031.465 where: short stacking energy: -391.878 Base-Backbone interact. energy: -1.001 local terms energy: -364.695713 where: bonds (distance) C4'-P energy: -74.124 bonds (distance) P-C4' energy: -58.741 flat angles C4'-P-C4' energy: -80.436 flat angles P-C4'-P energy: -44.994 tors. eta vs tors. theta energy: -106.401 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: 1 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1374.708042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.708042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.708042 (E_RNA) where: Base-Base interactions energy: -1011.720 where: short stacking energy: -398.988 Base-Backbone interact. energy: 2.644 local terms energy: -365.632389 where: bonds (distance) C4'-P energy: -59.490 bonds (distance) P-C4' energy: -69.858 flat angles C4'-P-C4' energy: -80.348 flat angles P-C4'-P energy: -51.331 tors. eta vs tors. theta energy: -104.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1239.678892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.678892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.678892 (E_RNA) where: Base-Base interactions energy: -896.524 where: short stacking energy: -362.882 Base-Backbone interact. energy: -1.160 local terms energy: -341.994987 where: bonds (distance) C4'-P energy: -56.781 bonds (distance) P-C4' energy: -63.106 flat angles C4'-P-C4' energy: -81.678 flat angles P-C4'-P energy: -43.075 tors. eta vs tors. theta energy: -97.356 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: 2 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1203.278982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.278982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.278982 (E_RNA) where: Base-Base interactions energy: -846.063 where: short stacking energy: -343.422 Base-Backbone interact. energy: -0.672 local terms energy: -356.544448 where: bonds (distance) C4'-P energy: -58.164 bonds (distance) P-C4' energy: -57.052 flat angles C4'-P-C4' energy: -81.276 flat angles P-C4'-P energy: -52.553 tors. eta vs tors. theta energy: -107.500 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: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1205.547948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.547948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.547948 (E_RNA) where: Base-Base interactions energy: -872.352 where: short stacking energy: -338.603 Base-Backbone interact. energy: 1.197 local terms energy: -334.392537 where: bonds (distance) C4'-P energy: -60.606 bonds (distance) P-C4' energy: -71.793 flat angles C4'-P-C4' energy: -67.386 flat angles P-C4'-P energy: -42.443 tors. eta vs tors. theta energy: -92.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -1053.275180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.275180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.275180 (E_RNA) where: Base-Base interactions energy: -743.474 where: short stacking energy: -294.747 Base-Backbone interact. energy: -0.864 local terms energy: -308.936543 where: bonds (distance) C4'-P energy: -52.814 bonds (distance) P-C4' energy: -61.932 flat angles C4'-P-C4' energy: -73.013 flat angles P-C4'-P energy: -42.821 tors. eta vs tors. theta energy: -78.357 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: 1, replica: 5 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1666.299525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.299525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.299525 (E_RNA) where: Base-Base interactions energy: -1224.710 where: short stacking energy: -477.181 Base-Backbone interact. energy: -0.072 local terms energy: -441.518207 where: bonds (distance) C4'-P energy: -66.393 bonds (distance) P-C4' energy: -74.782 flat angles C4'-P-C4' energy: -88.932 flat angles P-C4'-P energy: -69.655 tors. eta vs tors. theta energy: -141.757 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: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1605.290942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.290942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.290942 (E_RNA) where: Base-Base interactions energy: -1176.433 where: short stacking energy: -443.577 Base-Backbone interact. energy: -1.379 local terms energy: -427.479258 where: bonds (distance) C4'-P energy: -79.029 bonds (distance) P-C4' energy: -67.529 flat angles C4'-P-C4' energy: -89.717 flat angles P-C4'-P energy: -62.711 tors. eta vs tors. theta energy: -128.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1549.049533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.049533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.049533 (E_RNA) where: Base-Base interactions energy: -1126.409 where: short stacking energy: -448.922 Base-Backbone interact. energy: -0.444 local terms energy: -422.195722 where: bonds (distance) C4'-P energy: -72.452 bonds (distance) P-C4' energy: -71.471 flat angles C4'-P-C4' energy: -87.359 flat angles P-C4'-P energy: -60.572 tors. eta vs tors. theta energy: -130.341 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: 4, replica: 7 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1398.402372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.402372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.402372 (E_RNA) where: Base-Base interactions energy: -1005.960 where: short stacking energy: -389.489 Base-Backbone interact. energy: -1.218 local terms energy: -391.224192 where: bonds (distance) C4'-P energy: -68.729 bonds (distance) P-C4' energy: -72.833 flat angles C4'-P-C4' energy: -87.165 flat angles P-C4'-P energy: -48.092 tors. eta vs tors. theta energy: -114.405 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: 5, replica: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1425.287493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.287493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.287493 (E_RNA) where: Base-Base interactions energy: -1026.321 where: short stacking energy: -390.862 Base-Backbone interact. energy: -3.549 local terms energy: -395.417620 where: bonds (distance) C4'-P energy: -68.083 bonds (distance) P-C4' energy: -59.781 flat angles C4'-P-C4' energy: -82.984 flat angles P-C4'-P energy: -64.923 tors. eta vs tors. theta energy: -119.646 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: 1 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1375.893445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.893445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.893445 (E_RNA) where: Base-Base interactions energy: -992.983 where: short stacking energy: -381.864 Base-Backbone interact. energy: -1.515 local terms energy: -381.396103 where: bonds (distance) C4'-P energy: -65.518 bonds (distance) P-C4' energy: -69.496 flat angles C4'-P-C4' energy: -82.301 flat angles P-C4'-P energy: -54.510 tors. eta vs tors. theta energy: -109.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1211.843284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.843284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.843284 (E_RNA) where: Base-Base interactions energy: -859.620 where: short stacking energy: -344.942 Base-Backbone interact. energy: -0.484 local terms energy: -351.739076 where: bonds (distance) C4'-P energy: -66.089 bonds (distance) P-C4' energy: -70.543 flat angles C4'-P-C4' energy: -81.329 flat angles P-C4'-P energy: -40.655 tors. eta vs tors. theta energy: -93.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1275.886733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.886733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.886733 (E_RNA) where: Base-Base interactions energy: -908.433 where: short stacking energy: -352.187 Base-Backbone interact. energy: 2.337 local terms energy: -369.791107 where: bonds (distance) C4'-P energy: -69.235 bonds (distance) P-C4' energy: -63.881 flat angles C4'-P-C4' energy: -79.242 flat angles P-C4'-P energy: -52.898 tors. eta vs tors. theta energy: -104.534 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: 2 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1196.657791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.657791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.657791 (E_RNA) where: Base-Base interactions energy: -857.254 where: short stacking energy: -322.875 Base-Backbone interact. energy: 2.210 local terms energy: -341.614573 where: bonds (distance) C4'-P energy: -57.509 bonds (distance) P-C4' energy: -60.274 flat angles C4'-P-C4' energy: -77.450 flat angles P-C4'-P energy: -53.952 tors. eta vs tors. theta energy: -92.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -1019.970939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.970939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.970939 (E_RNA) where: Base-Base interactions energy: -710.388 where: short stacking energy: -295.785 Base-Backbone interact. energy: -0.011 local terms energy: -309.572021 where: bonds (distance) C4'-P energy: -59.780 bonds (distance) P-C4' energy: -72.838 flat angles C4'-P-C4' energy: -63.267 flat angles P-C4'-P energy: -40.204 tors. eta vs tors. theta energy: -73.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1676.432567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.432567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.432567 (E_RNA) where: Base-Base interactions energy: -1232.539 where: short stacking energy: -481.583 Base-Backbone interact. energy: -0.583 local terms energy: -443.310659 where: bonds (distance) C4'-P energy: -74.757 bonds (distance) P-C4' energy: -68.774 flat angles C4'-P-C4' energy: -89.866 flat angles P-C4'-P energy: -65.567 tors. eta vs tors. theta energy: -144.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1599.920852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.920852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.920852 (E_RNA) where: Base-Base interactions energy: -1183.740 where: short stacking energy: -442.390 Base-Backbone interact. energy: -1.223 local terms energy: -414.958100 where: bonds (distance) C4'-P energy: -60.860 bonds (distance) P-C4' energy: -76.711 flat angles C4'-P-C4' energy: -88.109 flat angles P-C4'-P energy: -54.079 tors. eta vs tors. theta energy: -135.199 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: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1533.660825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.660825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.660825 (E_RNA) where: Base-Base interactions energy: -1110.023 where: short stacking energy: -425.705 Base-Backbone interact. energy: -1.193 local terms energy: -422.444692 where: bonds (distance) C4'-P energy: -75.733 bonds (distance) P-C4' energy: -68.330 flat angles C4'-P-C4' energy: -93.311 flat angles P-C4'-P energy: -56.816 tors. eta vs tors. theta energy: -128.255 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: 7 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1362.469379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.469379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.469379 (E_RNA) where: Base-Base interactions energy: -966.198 where: short stacking energy: -390.198 Base-Backbone interact. energy: -0.756 local terms energy: -395.515646 where: bonds (distance) C4'-P energy: -70.917 bonds (distance) P-C4' energy: -63.101 flat angles C4'-P-C4' energy: -80.997 flat angles P-C4'-P energy: -56.757 tors. eta vs tors. theta energy: -123.744 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: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1445.548843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.548843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.548843 (E_RNA) where: Base-Base interactions energy: -1058.670 where: short stacking energy: -401.702 Base-Backbone interact. energy: -1.760 local terms energy: -385.118826 where: bonds (distance) C4'-P energy: -64.911 bonds (distance) P-C4' energy: -65.428 flat angles C4'-P-C4' energy: -82.103 flat angles P-C4'-P energy: -63.576 tors. eta vs tors. theta energy: -109.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1388.567344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.567344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.567344 (E_RNA) where: Base-Base interactions energy: -1007.852 where: short stacking energy: -385.202 Base-Backbone interact. energy: -1.523 local terms energy: -379.192596 where: bonds (distance) C4'-P energy: -69.531 bonds (distance) P-C4' energy: -65.966 flat angles C4'-P-C4' energy: -72.843 flat angles P-C4'-P energy: -63.799 tors. eta vs tors. theta energy: -107.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1248.195725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.195725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.195725 (E_RNA) where: Base-Base interactions energy: -924.881 where: short stacking energy: -345.629 Base-Backbone interact. energy: -0.888 local terms energy: -322.426544 where: bonds (distance) C4'-P energy: -64.616 bonds (distance) P-C4' energy: -47.411 flat angles C4'-P-C4' energy: -77.028 flat angles P-C4'-P energy: -44.696 tors. eta vs tors. theta energy: -88.675 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: 3 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1270.707155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.707155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.707155 (E_RNA) where: Base-Base interactions energy: -927.183 where: short stacking energy: -367.053 Base-Backbone interact. energy: 2.306 local terms energy: -345.829982 where: bonds (distance) C4'-P energy: -55.395 bonds (distance) P-C4' energy: -59.770 flat angles C4'-P-C4' energy: -74.396 flat angles P-C4'-P energy: -54.012 tors. eta vs tors. theta energy: -102.258 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: 2 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1192.951713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.951713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.951713 (E_RNA) where: Base-Base interactions energy: -867.262 where: short stacking energy: -343.647 Base-Backbone interact. energy: 0.844 local terms energy: -326.533724 where: bonds (distance) C4'-P energy: -52.769 bonds (distance) P-C4' energy: -59.311 flat angles C4'-P-C4' energy: -69.257 flat angles P-C4'-P energy: -53.707 tors. eta vs tors. theta energy: -91.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -1029.637926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.637926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.637926 (E_RNA) where: Base-Base interactions energy: -730.751 where: short stacking energy: -289.387 Base-Backbone interact. energy: -0.309 local terms energy: -298.577992 where: bonds (distance) C4'-P energy: -53.529 bonds (distance) P-C4' energy: -52.174 flat angles C4'-P-C4' energy: -64.006 flat angles P-C4'-P energy: -41.686 tors. eta vs tors. theta energy: -87.183 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: 5 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1684.844052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.844052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.844052 (E_RNA) where: Base-Base interactions energy: -1207.835 where: short stacking energy: -489.564 Base-Backbone interact. energy: 0.221 local terms energy: -477.229723 where: bonds (distance) C4'-P energy: -86.501 bonds (distance) P-C4' energy: -79.193 flat angles C4'-P-C4' energy: -94.547 flat angles P-C4'-P energy: -67.701 tors. eta vs tors. theta energy: -149.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1576.890530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.890530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.890530 (E_RNA) where: Base-Base interactions energy: -1156.140 where: short stacking energy: -444.859 Base-Backbone interact. energy: 1.595 local terms energy: -422.345635 where: bonds (distance) C4'-P energy: -72.312 bonds (distance) P-C4' energy: -76.289 flat angles C4'-P-C4' energy: -85.420 flat angles P-C4'-P energy: -58.638 tors. eta vs tors. theta energy: -129.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1544.568861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.568861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.568861 (E_RNA) where: Base-Base interactions energy: -1125.005 where: short stacking energy: -450.020 Base-Backbone interact. energy: -0.037 local terms energy: -419.526306 where: bonds (distance) C4'-P energy: -69.193 bonds (distance) P-C4' energy: -67.358 flat angles C4'-P-C4' energy: -89.826 flat angles P-C4'-P energy: -58.991 tors. eta vs tors. theta energy: -134.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1450.466103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.466103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.466103 (E_RNA) where: Base-Base interactions energy: -1064.574 where: short stacking energy: -406.853 Base-Backbone interact. energy: -2.056 local terms energy: -383.835398 where: bonds (distance) C4'-P energy: -70.574 bonds (distance) P-C4' energy: -58.692 flat angles C4'-P-C4' energy: -90.066 flat angles P-C4'-P energy: -52.725 tors. eta vs tors. theta energy: -111.779 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: 7 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1374.153787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.153787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.153787 (E_RNA) where: Base-Base interactions energy: -980.033 where: short stacking energy: -384.330 Base-Backbone interact. energy: -0.695 local terms energy: -393.425627 where: bonds (distance) C4'-P energy: -65.910 bonds (distance) P-C4' energy: -70.526 flat angles C4'-P-C4' energy: -79.793 flat angles P-C4'-P energy: -62.847 tors. eta vs tors. theta energy: -114.350 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: 1 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1382.016932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.016932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.016932 (E_RNA) where: Base-Base interactions energy: -985.077 where: short stacking energy: -388.290 Base-Backbone interact. energy: -0.266 local terms energy: -396.673991 where: bonds (distance) C4'-P energy: -65.916 bonds (distance) P-C4' energy: -70.687 flat angles C4'-P-C4' energy: -83.593 flat angles P-C4'-P energy: -59.591 tors. eta vs tors. theta energy: -116.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1358.959432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.959432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.959432 (E_RNA) where: Base-Base interactions energy: -1006.422 where: short stacking energy: -386.989 Base-Backbone interact. energy: 0.778 local terms energy: -353.315617 where: bonds (distance) C4'-P energy: -53.325 bonds (distance) P-C4' energy: -59.675 flat angles C4'-P-C4' energy: -81.383 flat angles P-C4'-P energy: -55.777 tors. eta vs tors. theta energy: -103.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1258.102148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.102148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.102148 (E_RNA) where: Base-Base interactions energy: -914.010 where: short stacking energy: -370.073 Base-Backbone interact. energy: 0.718 local terms energy: -344.809908 where: bonds (distance) C4'-P energy: -55.346 bonds (distance) P-C4' energy: -68.233 flat angles C4'-P-C4' energy: -63.973 flat angles P-C4'-P energy: -50.265 tors. eta vs tors. theta energy: -106.992 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: 2 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1205.451851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.451851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.451851 (E_RNA) where: Base-Base interactions energy: -826.059 where: short stacking energy: -331.284 Base-Backbone interact. energy: -1.111 local terms energy: -378.281352 where: bonds (distance) C4'-P energy: -72.872 bonds (distance) P-C4' energy: -71.450 flat angles C4'-P-C4' energy: -79.842 flat angles P-C4'-P energy: -52.093 tors. eta vs tors. theta energy: -102.024 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: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -1021.245263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.245263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.245263 (E_RNA) where: Base-Base interactions energy: -703.042 where: short stacking energy: -273.643 Base-Backbone interact. energy: -0.838 local terms energy: -317.365389 where: bonds (distance) C4'-P energy: -51.540 bonds (distance) P-C4' energy: -72.677 flat angles C4'-P-C4' energy: -67.841 flat angles P-C4'-P energy: -50.886 tors. eta vs tors. theta energy: -74.421 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: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1673.733885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.733885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.733885 (E_RNA) where: Base-Base interactions energy: -1231.534 where: short stacking energy: -475.969 Base-Backbone interact. energy: 1.533 local terms energy: -443.733142 where: bonds (distance) C4'-P energy: -61.761 bonds (distance) P-C4' energy: -76.316 flat angles C4'-P-C4' energy: -92.386 flat angles P-C4'-P energy: -69.079 tors. eta vs tors. theta energy: -144.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1587.666670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.666670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.666670 (E_RNA) where: Base-Base interactions energy: -1153.151 where: short stacking energy: -432.164 Base-Backbone interact. energy: 0.466 local terms energy: -434.980882 where: bonds (distance) C4'-P energy: -77.444 bonds (distance) P-C4' energy: -74.350 flat angles C4'-P-C4' energy: -89.253 flat angles P-C4'-P energy: -64.500 tors. eta vs tors. theta energy: -129.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1527.308441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.308441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.308441 (E_RNA) where: Base-Base interactions energy: -1110.567 where: short stacking energy: -425.325 Base-Backbone interact. energy: 3.334 local terms energy: -420.075569 where: bonds (distance) C4'-P energy: -72.567 bonds (distance) P-C4' energy: -75.555 flat angles C4'-P-C4' energy: -82.712 flat angles P-C4'-P energy: -62.823 tors. eta vs tors. theta energy: -126.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1471.981572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.981572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.981572 (E_RNA) where: Base-Base interactions energy: -1078.056 where: short stacking energy: -410.506 Base-Backbone interact. energy: -2.724 local terms energy: -391.201151 where: bonds (distance) C4'-P energy: -53.486 bonds (distance) P-C4' energy: -73.714 flat angles C4'-P-C4' energy: -82.300 flat angles P-C4'-P energy: -70.487 tors. eta vs tors. theta energy: -111.214 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: 148 Temperature: 1.100000 Total energy: -1384.703629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.703629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.703629 (E_RNA) where: Base-Base interactions energy: -1006.303 where: short stacking energy: -401.942 Base-Backbone interact. energy: -1.175 local terms energy: -377.225006 where: bonds (distance) C4'-P energy: -56.030 bonds (distance) P-C4' energy: -75.850 flat angles C4'-P-C4' energy: -75.714 flat angles P-C4'-P energy: -51.462 tors. eta vs tors. theta energy: -118.170 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: 7 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1318.848838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.848838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.848838 (E_RNA) where: Base-Base interactions energy: -946.956 where: short stacking energy: -381.710 Base-Backbone interact. energy: -0.816 local terms energy: -371.076935 where: bonds (distance) C4'-P energy: -62.290 bonds (distance) P-C4' energy: -59.017 flat angles C4'-P-C4' energy: -81.807 flat angles P-C4'-P energy: -54.907 tors. eta vs tors. theta energy: -113.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1393.962016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.962016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.962016 (E_RNA) where: Base-Base interactions energy: -1014.288 where: short stacking energy: -386.643 Base-Backbone interact. energy: -0.800 local terms energy: -378.873347 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -57.234 flat angles C4'-P-C4' energy: -81.369 flat angles P-C4'-P energy: -55.031 tors. eta vs tors. theta energy: -117.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1253.602492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.602492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.602492 (E_RNA) where: Base-Base interactions energy: -906.934 where: short stacking energy: -362.995 Base-Backbone interact. energy: 2.428 local terms energy: -349.096717 where: bonds (distance) C4'-P energy: -47.831 bonds (distance) P-C4' energy: -76.730 flat angles C4'-P-C4' energy: -77.958 flat angles P-C4'-P energy: -46.852 tors. eta vs tors. theta energy: -99.725 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: 2 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1224.620886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.620886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.620886 (E_RNA) where: Base-Base interactions energy: -867.311 where: short stacking energy: -344.453 Base-Backbone interact. energy: 0.775 local terms energy: -358.084762 where: bonds (distance) C4'-P energy: -66.935 bonds (distance) P-C4' energy: -78.433 flat angles C4'-P-C4' energy: -70.757 flat angles P-C4'-P energy: -39.350 tors. eta vs tors. theta energy: -102.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -1041.347692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.347692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.347692 (E_RNA) where: Base-Base interactions energy: -735.271 where: short stacking energy: -293.227 Base-Backbone interact. energy: 4.092 local terms energy: -310.168747 where: bonds (distance) C4'-P energy: -46.545 bonds (distance) P-C4' energy: -62.661 flat angles C4'-P-C4' energy: -76.282 flat angles P-C4'-P energy: -47.538 tors. eta vs tors. theta energy: -77.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1667.521432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.521432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.521432 (E_RNA) where: Base-Base interactions energy: -1219.189 where: short stacking energy: -484.942 Base-Backbone interact. energy: -0.261 local terms energy: -448.071889 where: bonds (distance) C4'-P energy: -72.070 bonds (distance) P-C4' energy: -70.911 flat angles C4'-P-C4' energy: -95.576 flat angles P-C4'-P energy: -66.602 tors. eta vs tors. theta energy: -142.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1589.980440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.980440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.980440 (E_RNA) where: Base-Base interactions energy: -1161.004 where: short stacking energy: -436.653 Base-Backbone interact. energy: -1.902 local terms energy: -427.074436 where: bonds (distance) C4'-P energy: -68.366 bonds (distance) P-C4' energy: -79.160 flat angles C4'-P-C4' energy: -89.701 flat angles P-C4'-P energy: -62.279 tors. eta vs tors. theta energy: -127.568 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: 10 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1538.137122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.137122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.137122 (E_RNA) where: Base-Base interactions energy: -1100.514 where: short stacking energy: -428.385 Base-Backbone interact. energy: -0.600 local terms energy: -437.023188 where: bonds (distance) C4'-P energy: -74.613 bonds (distance) P-C4' energy: -75.625 flat angles C4'-P-C4' energy: -89.780 flat angles P-C4'-P energy: -66.025 tors. eta vs tors. theta energy: -130.980 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: 149 Temperature: 1.050000 Total energy: -1476.271881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.271881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.271881 (E_RNA) where: Base-Base interactions energy: -1087.987 where: short stacking energy: -414.053 Base-Backbone interact. energy: -2.637 local terms energy: -385.647650 where: bonds (distance) C4'-P energy: -59.697 bonds (distance) P-C4' energy: -65.546 flat angles C4'-P-C4' energy: -89.091 flat angles P-C4'-P energy: -58.764 tors. eta vs tors. theta energy: -112.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1428.499939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.499939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.499939 (E_RNA) where: Base-Base interactions energy: -1036.647 where: short stacking energy: -394.470 Base-Backbone interact. energy: -0.941 local terms energy: -390.911818 where: bonds (distance) C4'-P energy: -69.424 bonds (distance) P-C4' energy: -72.937 flat angles C4'-P-C4' energy: -84.449 flat angles P-C4'-P energy: -48.615 tors. eta vs tors. theta energy: -115.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1422.586378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.586378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.586378 (E_RNA) where: Base-Base interactions energy: -1043.561 where: short stacking energy: -418.567 Base-Backbone interact. energy: -0.596 local terms energy: -378.429948 where: bonds (distance) C4'-P energy: -64.422 bonds (distance) P-C4' energy: -64.675 flat angles C4'-P-C4' energy: -85.260 flat angles P-C4'-P energy: -50.930 tors. eta vs tors. theta energy: -113.142 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: 7 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1311.074663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.074663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.074663 (E_RNA) where: Base-Base interactions energy: -950.050 where: short stacking energy: -375.732 Base-Backbone interact. energy: -1.862 local terms energy: -359.162329 where: bonds (distance) C4'-P energy: -62.861 bonds (distance) P-C4' energy: -66.716 flat angles C4'-P-C4' energy: -79.966 flat angles P-C4'-P energy: -39.690 tors. eta vs tors. theta energy: -109.929 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: 2 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1232.934450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.934450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.934450 (E_RNA) where: Base-Base interactions energy: -900.697 where: short stacking energy: -373.076 Base-Backbone interact. energy: -0.488 local terms energy: -331.749489 where: bonds (distance) C4'-P energy: -62.047 bonds (distance) P-C4' energy: -55.537 flat angles C4'-P-C4' energy: -72.232 flat angles P-C4'-P energy: -43.604 tors. eta vs tors. theta energy: -98.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1216.757948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.757948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.757948 (E_RNA) where: Base-Base interactions energy: -876.506 where: short stacking energy: -360.747 Base-Backbone interact. energy: 1.411 local terms energy: -341.662836 where: bonds (distance) C4'-P energy: -66.690 bonds (distance) P-C4' energy: -59.718 flat angles C4'-P-C4' energy: -74.021 flat angles P-C4'-P energy: -43.504 tors. eta vs tors. theta energy: -97.730 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: 149 Temperature: 1.350000 Total energy: -984.901619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.901619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.901619 (E_RNA) where: Base-Base interactions energy: -702.432 where: short stacking energy: -279.970 Base-Backbone interact. energy: 0.088 local terms energy: -282.558199 where: bonds (distance) C4'-P energy: -51.092 bonds (distance) P-C4' energy: -65.515 flat angles C4'-P-C4' energy: -56.391 flat angles P-C4'-P energy: -37.711 tors. eta vs tors. theta energy: -71.850 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: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1677.126343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.126343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.126343 (E_RNA) where: Base-Base interactions energy: -1241.051 where: short stacking energy: -482.891 Base-Backbone interact. energy: -0.231 local terms energy: -435.844323 where: bonds (distance) C4'-P energy: -69.650 bonds (distance) P-C4' energy: -59.718 flat angles C4'-P-C4' energy: -92.719 flat angles P-C4'-P energy: -68.925 tors. eta vs tors. theta energy: -144.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1594.870743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.870743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.870743 (E_RNA) where: Base-Base interactions energy: -1162.790 where: short stacking energy: -447.526 Base-Backbone interact. energy: -1.345 local terms energy: -430.735169 where: bonds (distance) C4'-P energy: -65.688 bonds (distance) P-C4' energy: -82.357 flat angles C4'-P-C4' energy: -95.913 flat angles P-C4'-P energy: -55.553 tors. eta vs tors. theta energy: -131.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1535.419427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.419427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.419427 (E_RNA) where: Base-Base interactions energy: -1108.254 where: short stacking energy: -437.829 Base-Backbone interact. energy: -0.305 local terms energy: -426.860513 where: bonds (distance) C4'-P energy: -67.228 bonds (distance) P-C4' energy: -71.866 flat angles C4'-P-C4' energy: -88.951 flat angles P-C4'-P energy: -66.803 tors. eta vs tors. theta energy: -132.012 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: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1470.844980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.844980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.844980 (E_RNA) where: Base-Base interactions energy: -1084.394 where: short stacking energy: -394.036 Base-Backbone interact. energy: -2.840 local terms energy: -383.610511 where: bonds (distance) C4'-P energy: -64.079 bonds (distance) P-C4' energy: -77.869 flat angles C4'-P-C4' energy: -80.350 flat angles P-C4'-P energy: -47.389 tors. eta vs tors. theta energy: -113.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1434.608304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.608304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.608304 (E_RNA) where: Base-Base interactions energy: -1043.197 where: short stacking energy: -412.213 Base-Backbone interact. energy: 3.829 local terms energy: -395.240503 where: bonds (distance) C4'-P energy: -58.893 bonds (distance) P-C4' energy: -68.311 flat angles C4'-P-C4' energy: -89.149 flat angles P-C4'-P energy: -56.975 tors. eta vs tors. theta energy: -121.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1408.452330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.452330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.452330 (E_RNA) where: Base-Base interactions energy: -1018.213 where: short stacking energy: -379.685 Base-Backbone interact. energy: -2.188 local terms energy: -388.052149 where: bonds (distance) C4'-P energy: -75.068 bonds (distance) P-C4' energy: -63.438 flat angles C4'-P-C4' energy: -75.038 flat angles P-C4'-P energy: -59.308 tors. eta vs tors. theta energy: -115.201 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: 7 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1308.154544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.154544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.154544 (E_RNA) where: Base-Base interactions energy: -937.695 where: short stacking energy: -361.688 Base-Backbone interact. energy: -1.042 local terms energy: -369.417288 where: bonds (distance) C4'-P energy: -67.520 bonds (distance) P-C4' energy: -70.478 flat angles C4'-P-C4' energy: -87.338 flat angles P-C4'-P energy: -42.594 tors. eta vs tors. theta energy: -101.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1212.754498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.754498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.754498 (E_RNA) where: Base-Base interactions energy: -872.565 where: short stacking energy: -342.827 Base-Backbone interact. energy: -1.248 local terms energy: -338.941869 where: bonds (distance) C4'-P energy: -68.004 bonds (distance) P-C4' energy: -66.998 flat angles C4'-P-C4' energy: -67.603 flat angles P-C4'-P energy: -47.362 tors. eta vs tors. theta energy: -88.975 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: 150 Temperature: 1.300000 Total energy: -1210.714140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.714140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.714140 (E_RNA) where: Base-Base interactions energy: -874.098 where: short stacking energy: -335.053 Base-Backbone interact. energy: 0.982 local terms energy: -337.598513 where: bonds (distance) C4'-P energy: -59.984 bonds (distance) P-C4' energy: -56.185 flat angles C4'-P-C4' energy: -78.739 flat angles P-C4'-P energy: -49.458 tors. eta vs tors. theta energy: -93.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -1011.345242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.345242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.345242 (E_RNA) where: Base-Base interactions energy: -716.211 where: short stacking energy: -275.358 Base-Backbone interact. energy: -0.742 local terms energy: -294.391930 where: bonds (distance) C4'-P energy: -54.904 bonds (distance) P-C4' energy: -63.237 flat angles C4'-P-C4' energy: -69.940 flat angles P-C4'-P energy: -31.387 tors. eta vs tors. theta energy: -74.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1673.081859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.081859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.081859 (E_RNA) where: Base-Base interactions energy: -1216.121 where: short stacking energy: -480.157 Base-Backbone interact. energy: -0.247 local terms energy: -456.714676 where: bonds (distance) C4'-P energy: -77.962 bonds (distance) P-C4' energy: -79.698 flat angles C4'-P-C4' energy: -88.063 flat angles P-C4'-P energy: -66.953 tors. eta vs tors. theta energy: -144.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1576.981900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.981900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.981900 (E_RNA) where: Base-Base interactions energy: -1173.176 where: short stacking energy: -439.348 Base-Backbone interact. energy: 7.273 local terms energy: -411.078780 where: bonds (distance) C4'-P energy: -67.948 bonds (distance) P-C4' energy: -69.072 flat angles C4'-P-C4' energy: -87.582 flat angles P-C4'-P energy: -60.565 tors. eta vs tors. theta energy: -125.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1538.262607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.262607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.262607 (E_RNA) where: Base-Base interactions energy: -1107.234 where: short stacking energy: -450.039 Base-Backbone interact. energy: -1.111 local terms energy: -429.917043 where: bonds (distance) C4'-P energy: -66.101 bonds (distance) P-C4' energy: -82.688 flat angles C4'-P-C4' energy: -82.030 flat angles P-C4'-P energy: -61.386 tors. eta vs tors. theta energy: -137.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1489.258249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.258249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.258249 (E_RNA) where: Base-Base interactions energy: -1091.942 where: short stacking energy: -416.567 Base-Backbone interact. energy: -1.780 local terms energy: -395.536725 where: bonds (distance) C4'-P energy: -73.121 bonds (distance) P-C4' energy: -70.739 flat angles C4'-P-C4' energy: -79.123 flat angles P-C4'-P energy: -50.223 tors. eta vs tors. theta energy: -122.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1471.802355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.802355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.802355 (E_RNA) where: Base-Base interactions energy: -1086.582 where: short stacking energy: -408.340 Base-Backbone interact. energy: -2.254 local terms energy: -382.965788 where: bonds (distance) C4'-P energy: -67.653 bonds (distance) P-C4' energy: -58.339 flat angles C4'-P-C4' energy: -87.189 flat angles P-C4'-P energy: -57.470 tors. eta vs tors. theta energy: -112.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1409.925578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.925578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.925578 (E_RNA) where: Base-Base interactions energy: -1024.559 where: short stacking energy: -393.490 Base-Backbone interact. energy: -3.338 local terms energy: -382.028828 where: bonds (distance) C4'-P energy: -66.735 bonds (distance) P-C4' energy: -65.474 flat angles C4'-P-C4' energy: -81.489 flat angles P-C4'-P energy: -53.845 tors. eta vs tors. theta energy: -114.487 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: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1318.677034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.677034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.677034 (E_RNA) where: Base-Base interactions energy: -972.220 where: short stacking energy: -384.456 Base-Backbone interact. energy: -1.127 local terms energy: -345.329834 where: bonds (distance) C4'-P energy: -62.980 bonds (distance) P-C4' energy: -46.212 flat angles C4'-P-C4' energy: -80.706 flat angles P-C4'-P energy: -43.998 tors. eta vs tors. theta energy: -111.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1222.695676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.695676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.695676 (E_RNA) where: Base-Base interactions energy: -880.813 where: short stacking energy: -349.359 Base-Backbone interact. energy: -0.514 local terms energy: -341.369170 where: bonds (distance) C4'-P energy: -63.131 bonds (distance) P-C4' energy: -57.104 flat angles C4'-P-C4' energy: -75.761 flat angles P-C4'-P energy: -49.223 tors. eta vs tors. theta energy: -96.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1264.298785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.298785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.298785 (E_RNA) where: Base-Base interactions energy: -903.950 where: short stacking energy: -365.315 Base-Backbone interact. energy: -0.130 local terms energy: -360.218975 where: bonds (distance) C4'-P energy: -65.664 bonds (distance) P-C4' energy: -61.121 flat angles C4'-P-C4' energy: -79.305 flat angles P-C4'-P energy: -49.334 tors. eta vs tors. theta energy: -104.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -1042.490466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.490466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.490466 (E_RNA) where: Base-Base interactions energy: -728.128 where: short stacking energy: -292.284 Base-Backbone interact. energy: -0.634 local terms energy: -313.728538 where: bonds (distance) C4'-P energy: -64.370 bonds (distance) P-C4' energy: -70.371 flat angles C4'-P-C4' energy: -72.947 flat angles P-C4'-P energy: -32.420 tors. eta vs tors. theta energy: -73.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1685.935943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.935943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.935943 (E_RNA) where: Base-Base interactions energy: -1233.453 where: short stacking energy: -482.109 Base-Backbone interact. energy: -0.400 local terms energy: -452.082806 where: bonds (distance) C4'-P energy: -76.444 bonds (distance) P-C4' energy: -70.822 flat angles C4'-P-C4' energy: -93.729 flat angles P-C4'-P energy: -62.318 tors. eta vs tors. theta energy: -148.770 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: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1587.697178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.697178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.697178 (E_RNA) where: Base-Base interactions energy: -1167.791 where: short stacking energy: -437.583 Base-Backbone interact. energy: -1.113 local terms energy: -418.794044 where: bonds (distance) C4'-P energy: -68.711 bonds (distance) P-C4' energy: -77.449 flat angles C4'-P-C4' energy: -83.682 flat angles P-C4'-P energy: -65.250 tors. eta vs tors. theta energy: -123.702 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: 10 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1539.371991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.371991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.371991 (E_RNA) where: Base-Base interactions energy: -1107.579 where: short stacking energy: -431.322 Base-Backbone interact. energy: -0.831 local terms energy: -430.961679 where: bonds (distance) C4'-P energy: -68.778 bonds (distance) P-C4' energy: -70.192 flat angles C4'-P-C4' energy: -83.805 flat angles P-C4'-P energy: -69.379 tors. eta vs tors. theta energy: -138.809 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: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1473.292640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.292640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.292640 (E_RNA) where: Base-Base interactions energy: -1059.994 where: short stacking energy: -413.176 Base-Backbone interact. energy: -0.062 local terms energy: -413.236577 where: bonds (distance) C4'-P energy: -65.686 bonds (distance) P-C4' energy: -74.899 flat angles C4'-P-C4' energy: -86.337 flat angles P-C4'-P energy: -62.872 tors. eta vs tors. theta energy: -123.443 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: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1443.878719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.878719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.878719 (E_RNA) where: Base-Base interactions energy: -1081.224 where: short stacking energy: -401.479 Base-Backbone interact. energy: -0.869 local terms energy: -361.785908 where: bonds (distance) C4'-P energy: -62.635 bonds (distance) P-C4' energy: -48.872 flat angles C4'-P-C4' energy: -84.210 flat angles P-C4'-P energy: -55.684 tors. eta vs tors. theta energy: -110.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1406.843577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.843577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.843577 (E_RNA) where: Base-Base interactions energy: -1013.149 where: short stacking energy: -394.607 Base-Backbone interact. energy: -1.176 local terms energy: -392.518166 where: bonds (distance) C4'-P energy: -61.299 bonds (distance) P-C4' energy: -72.363 flat angles C4'-P-C4' energy: -86.269 flat angles P-C4'-P energy: -58.596 tors. eta vs tors. theta energy: -113.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1302.975700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.975700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.975700 (E_RNA) where: Base-Base interactions energy: -934.487 where: short stacking energy: -365.762 Base-Backbone interact. energy: -1.330 local terms energy: -367.158510 where: bonds (distance) C4'-P energy: -63.761 bonds (distance) P-C4' energy: -69.999 flat angles C4'-P-C4' energy: -81.972 flat angles P-C4'-P energy: -49.480 tors. eta vs tors. theta energy: -101.947 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: 152 Temperature: 1.250000 Total energy: -1219.115101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.115101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.115101 (E_RNA) where: Base-Base interactions energy: -855.701 where: short stacking energy: -343.754 Base-Backbone interact. energy: 1.059 local terms energy: -364.472740 where: bonds (distance) C4'-P energy: -71.069 bonds (distance) P-C4' energy: -71.038 flat angles C4'-P-C4' energy: -71.483 flat angles P-C4'-P energy: -53.590 tors. eta vs tors. theta energy: -97.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1225.510589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.510589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.510589 (E_RNA) where: Base-Base interactions energy: -880.520 where: short stacking energy: -347.606 Base-Backbone interact. energy: -0.354 local terms energy: -344.637452 where: bonds (distance) C4'-P energy: -60.311 bonds (distance) P-C4' energy: -58.469 flat angles C4'-P-C4' energy: -80.291 flat angles P-C4'-P energy: -45.693 tors. eta vs tors. theta energy: -99.873 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: 8 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -1075.911315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.911315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.911315 (E_RNA) where: Base-Base interactions energy: -759.759 where: short stacking energy: -297.368 Base-Backbone interact. energy: 2.019 local terms energy: -318.171023 where: bonds (distance) C4'-P energy: -60.668 bonds (distance) P-C4' energy: -57.861 flat angles C4'-P-C4' energy: -79.017 flat angles P-C4'-P energy: -44.348 tors. eta vs tors. theta energy: -76.276 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: 5 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1677.554265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.554265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.554265 (E_RNA) where: Base-Base interactions energy: -1228.257 where: short stacking energy: -475.523 Base-Backbone interact. energy: 1.203 local terms energy: -450.500682 where: bonds (distance) C4'-P energy: -68.164 bonds (distance) P-C4' energy: -78.502 flat angles C4'-P-C4' energy: -86.728 flat angles P-C4'-P energy: -74.027 tors. eta vs tors. theta energy: -143.080 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: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1583.685045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.685045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.685045 (E_RNA) where: Base-Base interactions energy: -1143.956 where: short stacking energy: -425.029 Base-Backbone interact. energy: -1.612 local terms energy: -438.117809 where: bonds (distance) C4'-P energy: -78.983 bonds (distance) P-C4' energy: -80.363 flat angles C4'-P-C4' energy: -86.570 flat angles P-C4'-P energy: -63.509 tors. eta vs tors. theta energy: -128.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1534.076017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.076017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.076017 (E_RNA) where: Base-Base interactions energy: -1120.870 where: short stacking energy: -449.173 Base-Backbone interact. energy: -0.919 local terms energy: -412.286946 where: bonds (distance) C4'-P energy: -66.203 bonds (distance) P-C4' energy: -67.167 flat angles C4'-P-C4' energy: -90.263 flat angles P-C4'-P energy: -55.055 tors. eta vs tors. theta energy: -133.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1438.343159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.343159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.343159 (E_RNA) where: Base-Base interactions energy: -1038.360 where: short stacking energy: -406.441 Base-Backbone interact. energy: -1.937 local terms energy: -398.045540 where: bonds (distance) C4'-P energy: -67.165 bonds (distance) P-C4' energy: -66.379 flat angles C4'-P-C4' energy: -81.094 flat angles P-C4'-P energy: -64.763 tors. eta vs tors. theta energy: -118.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1429.248012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.248012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.248012 (E_RNA) where: Base-Base interactions energy: -1052.164 where: short stacking energy: -411.232 Base-Backbone interact. energy: -1.272 local terms energy: -375.812586 where: bonds (distance) C4'-P energy: -60.551 bonds (distance) P-C4' energy: -71.998 flat angles C4'-P-C4' energy: -87.798 flat angles P-C4'-P energy: -43.000 tors. eta vs tors. theta energy: -112.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1411.407065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.407065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.407065 (E_RNA) where: Base-Base interactions energy: -1025.555 where: short stacking energy: -390.826 Base-Backbone interact. energy: -1.395 local terms energy: -384.457521 where: bonds (distance) C4'-P energy: -59.870 bonds (distance) P-C4' energy: -66.350 flat angles C4'-P-C4' energy: -87.340 flat angles P-C4'-P energy: -61.346 tors. eta vs tors. theta energy: -109.551 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: 7 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1325.405694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.405694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.405694 (E_RNA) where: Base-Base interactions energy: -978.607 where: short stacking energy: -389.296 Base-Backbone interact. energy: -0.426 local terms energy: -346.373608 where: bonds (distance) C4'-P energy: -57.782 bonds (distance) P-C4' energy: -57.792 flat angles C4'-P-C4' energy: -80.116 flat angles P-C4'-P energy: -46.584 tors. eta vs tors. theta energy: -104.100 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: 8, replica: 3 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1219.836377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.836377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.836377 (E_RNA) where: Base-Base interactions energy: -895.312 where: short stacking energy: -360.503 Base-Backbone interact. energy: 0.234 local terms energy: -324.757852 where: bonds (distance) C4'-P energy: -37.497 bonds (distance) P-C4' energy: -53.510 flat angles C4'-P-C4' energy: -74.156 flat angles P-C4'-P energy: -56.002 tors. eta vs tors. theta energy: -103.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1190.237047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.237047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.237047 (E_RNA) where: Base-Base interactions energy: -864.779 where: short stacking energy: -334.865 Base-Backbone interact. energy: -0.989 local terms energy: -324.468938 where: bonds (distance) C4'-P energy: -46.233 bonds (distance) P-C4' energy: -63.750 flat angles C4'-P-C4' energy: -73.541 flat angles P-C4'-P energy: -44.602 tors. eta vs tors. theta energy: -96.342 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: 8 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -1053.967637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.967637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.967637 (E_RNA) where: Base-Base interactions energy: -735.274 where: short stacking energy: -287.505 Base-Backbone interact. energy: -0.635 local terms energy: -318.058323 where: bonds (distance) C4'-P energy: -47.324 bonds (distance) P-C4' energy: -58.689 flat angles C4'-P-C4' energy: -73.871 flat angles P-C4'-P energy: -50.537 tors. eta vs tors. theta energy: -87.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1672.020474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.020474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.020474 (E_RNA) where: Base-Base interactions energy: -1217.037 where: short stacking energy: -482.472 Base-Backbone interact. energy: 0.475 local terms energy: -455.458289 where: bonds (distance) C4'-P energy: -78.790 bonds (distance) P-C4' energy: -74.671 flat angles C4'-P-C4' energy: -91.781 flat angles P-C4'-P energy: -67.254 tors. eta vs tors. theta energy: -142.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1573.364370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.364370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.364370 (E_RNA) where: Base-Base interactions energy: -1164.683 where: short stacking energy: -437.059 Base-Backbone interact. energy: 6.292 local terms energy: -414.972973 where: bonds (distance) C4'-P energy: -80.215 bonds (distance) P-C4' energy: -67.344 flat angles C4'-P-C4' energy: -81.526 flat angles P-C4'-P energy: -62.747 tors. eta vs tors. theta energy: -123.141 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: 10 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1537.890203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.890203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.890203 (E_RNA) where: Base-Base interactions energy: -1111.860 where: short stacking energy: -446.869 Base-Backbone interact. energy: -0.904 local terms energy: -425.126166 where: bonds (distance) C4'-P energy: -64.656 bonds (distance) P-C4' energy: -71.707 flat angles C4'-P-C4' energy: -90.787 flat angles P-C4'-P energy: -69.355 tors. eta vs tors. theta energy: -128.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1484.902863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.902863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.902863 (E_RNA) where: Base-Base interactions energy: -1096.724 where: short stacking energy: -414.300 Base-Backbone interact. energy: -0.673 local terms energy: -387.505307 where: bonds (distance) C4'-P energy: -71.241 bonds (distance) P-C4' energy: -71.329 flat angles C4'-P-C4' energy: -81.661 flat angles P-C4'-P energy: -48.173 tors. eta vs tors. theta energy: -115.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1429.219201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.219201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.219201 (E_RNA) where: Base-Base interactions energy: -1056.039 where: short stacking energy: -403.561 Base-Backbone interact. energy: 0.178 local terms energy: -373.358954 where: bonds (distance) C4'-P energy: -63.575 bonds (distance) P-C4' energy: -63.819 flat angles C4'-P-C4' energy: -86.709 flat angles P-C4'-P energy: -47.792 tors. eta vs tors. theta energy: -111.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1437.792172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.792172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.792172 (E_RNA) where: Base-Base interactions energy: -1042.981 where: short stacking energy: -395.677 Base-Backbone interact. energy: 0.886 local terms energy: -395.697580 where: bonds (distance) C4'-P energy: -65.029 bonds (distance) P-C4' energy: -74.154 flat angles C4'-P-C4' energy: -83.063 flat angles P-C4'-P energy: -50.912 tors. eta vs tors. theta energy: -122.539 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: 7 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1304.894329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.894329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.894329 (E_RNA) where: Base-Base interactions energy: -948.462 where: short stacking energy: -378.398 Base-Backbone interact. energy: -0.947 local terms energy: -355.485059 where: bonds (distance) C4'-P energy: -59.334 bonds (distance) P-C4' energy: -58.157 flat angles C4'-P-C4' energy: -77.659 flat angles P-C4'-P energy: -49.159 tors. eta vs tors. theta energy: -111.175 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: 3 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1287.996518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.996518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.996518 (E_RNA) where: Base-Base interactions energy: -936.367 where: short stacking energy: -356.980 Base-Backbone interact. energy: -1.617 local terms energy: -350.012400 where: bonds (distance) C4'-P energy: -64.194 bonds (distance) P-C4' energy: -51.014 flat angles C4'-P-C4' energy: -73.264 flat angles P-C4'-P energy: -53.491 tors. eta vs tors. theta energy: -108.050 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: 2 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1177.319356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.319356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.319356 (E_RNA) where: Base-Base interactions energy: -860.750 where: short stacking energy: -343.426 Base-Backbone interact. energy: -2.898 local terms energy: -313.671008 where: bonds (distance) C4'-P energy: -57.619 bonds (distance) P-C4' energy: -55.641 flat angles C4'-P-C4' energy: -68.339 flat angles P-C4'-P energy: -41.334 tors. eta vs tors. theta energy: -90.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -1101.328211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.328211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.328211 (E_RNA) where: Base-Base interactions energy: -753.090 where: short stacking energy: -308.860 Base-Backbone interact. energy: -1.010 local terms energy: -347.227957 where: bonds (distance) C4'-P energy: -66.861 bonds (distance) P-C4' energy: -64.811 flat angles C4'-P-C4' energy: -79.952 flat angles P-C4'-P energy: -46.221 tors. eta vs tors. theta energy: -89.383 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: 155 Temperature: 0.900000 Total energy: -1679.336723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.336723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.336723 (E_RNA) where: Base-Base interactions energy: -1225.601 where: short stacking energy: -487.408 Base-Backbone interact. energy: -0.589 local terms energy: -453.146203 where: bonds (distance) C4'-P energy: -75.138 bonds (distance) P-C4' energy: -74.420 flat angles C4'-P-C4' energy: -88.836 flat angles P-C4'-P energy: -68.708 tors. eta vs tors. theta energy: -146.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1595.347692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.347692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.347692 (E_RNA) where: Base-Base interactions energy: -1177.219 where: short stacking energy: -443.143 Base-Backbone interact. energy: -1.266 local terms energy: -416.862953 where: bonds (distance) C4'-P energy: -67.752 bonds (distance) P-C4' energy: -83.104 flat angles C4'-P-C4' energy: -89.334 flat angles P-C4'-P energy: -52.976 tors. eta vs tors. theta energy: -123.697 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: 10 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1531.737873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.737873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.737873 (E_RNA) where: Base-Base interactions energy: -1091.104 where: short stacking energy: -437.646 Base-Backbone interact. energy: 1.085 local terms energy: -441.718920 where: bonds (distance) C4'-P energy: -77.459 bonds (distance) P-C4' energy: -76.051 flat angles C4'-P-C4' energy: -87.502 flat angles P-C4'-P energy: -69.710 tors. eta vs tors. theta energy: -130.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1488.760948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.760948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.760948 (E_RNA) where: Base-Base interactions energy: -1073.722 where: short stacking energy: -409.855 Base-Backbone interact. energy: -0.167 local terms energy: -414.871567 where: bonds (distance) C4'-P energy: -84.320 bonds (distance) P-C4' energy: -74.063 flat angles C4'-P-C4' energy: -77.631 flat angles P-C4'-P energy: -53.814 tors. eta vs tors. theta energy: -125.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1409.775179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.775179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.775179 (E_RNA) where: Base-Base interactions energy: -1037.622 where: short stacking energy: -378.275 Base-Backbone interact. energy: -2.590 local terms energy: -369.563534 where: bonds (distance) C4'-P energy: -59.481 bonds (distance) P-C4' energy: -72.883 flat angles C4'-P-C4' energy: -80.895 flat angles P-C4'-P energy: -50.440 tors. eta vs tors. theta energy: -105.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1337.139371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.139371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.139371 (E_RNA) where: Base-Base interactions energy: -973.745 where: short stacking energy: -396.388 Base-Backbone interact. energy: -0.451 local terms energy: -362.943510 where: bonds (distance) C4'-P energy: -65.174 bonds (distance) P-C4' energy: -71.475 flat angles C4'-P-C4' energy: -72.490 flat angles P-C4'-P energy: -43.778 tors. eta vs tors. theta energy: -110.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1381.277614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.277614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.277614 (E_RNA) where: Base-Base interactions energy: -1007.127 where: short stacking energy: -387.499 Base-Backbone interact. energy: 4.023 local terms energy: -378.173684 where: bonds (distance) C4'-P energy: -60.000 bonds (distance) P-C4' energy: -76.204 flat angles C4'-P-C4' energy: -81.184 flat angles P-C4'-P energy: -54.145 tors. eta vs tors. theta energy: -106.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1252.754382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.754382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.754382 (E_RNA) where: Base-Base interactions energy: -903.825 where: short stacking energy: -350.445 Base-Backbone interact. energy: -1.202 local terms energy: -347.727521 where: bonds (distance) C4'-P energy: -56.326 bonds (distance) P-C4' energy: -55.613 flat angles C4'-P-C4' energy: -69.641 flat angles P-C4'-P energy: -56.845 tors. eta vs tors. theta energy: -109.302 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: 2 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1181.349725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.349725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.349725 (E_RNA) where: Base-Base interactions energy: -826.474 where: short stacking energy: -336.784 Base-Backbone interact. energy: 0.173 local terms energy: -355.049232 where: bonds (distance) C4'-P energy: -74.824 bonds (distance) P-C4' energy: -68.669 flat angles C4'-P-C4' energy: -68.566 flat angles P-C4'-P energy: -44.126 tors. eta vs tors. theta energy: -98.864 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: 8 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -1083.823240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.823240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.823240 (E_RNA) where: Base-Base interactions energy: -758.536 where: short stacking energy: -300.704 Base-Backbone interact. energy: 0.852 local terms energy: -326.139158 where: bonds (distance) C4'-P energy: -53.264 bonds (distance) P-C4' energy: -69.627 flat angles C4'-P-C4' energy: -74.184 flat angles P-C4'-P energy: -46.041 tors. eta vs tors. theta energy: -83.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1685.024371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.024371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.024371 (E_RNA) where: Base-Base interactions energy: -1228.043 where: short stacking energy: -486.241 Base-Backbone interact. energy: -0.510 local terms energy: -456.472119 where: bonds (distance) C4'-P energy: -70.802 bonds (distance) P-C4' energy: -80.385 flat angles C4'-P-C4' energy: -90.771 flat angles P-C4'-P energy: -68.432 tors. eta vs tors. theta energy: -146.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1575.071737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.071737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.071737 (E_RNA) where: Base-Base interactions energy: -1157.556 where: short stacking energy: -437.088 Base-Backbone interact. energy: -0.752 local terms energy: -416.763295 where: bonds (distance) C4'-P energy: -58.951 bonds (distance) P-C4' energy: -72.504 flat angles C4'-P-C4' energy: -86.403 flat angles P-C4'-P energy: -69.710 tors. eta vs tors. theta energy: -129.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1503.039160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.039160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.039160 (E_RNA) where: Base-Base interactions energy: -1081.715 where: short stacking energy: -430.486 Base-Backbone interact. energy: -1.018 local terms energy: -420.306181 where: bonds (distance) C4'-P energy: -66.492 bonds (distance) P-C4' energy: -84.712 flat angles C4'-P-C4' energy: -77.506 flat angles P-C4'-P energy: -67.469 tors. eta vs tors. theta energy: -124.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1516.413167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.413167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.413167 (E_RNA) where: Base-Base interactions energy: -1100.097 where: short stacking energy: -428.245 Base-Backbone interact. energy: -0.803 local terms energy: -415.513719 where: bonds (distance) C4'-P energy: -72.448 bonds (distance) P-C4' energy: -69.875 flat angles C4'-P-C4' energy: -80.314 flat angles P-C4'-P energy: -62.363 tors. eta vs tors. theta energy: -130.514 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: 6 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1424.697280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.697280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.697280 (E_RNA) where: Base-Base interactions energy: -1068.681 where: short stacking energy: -413.251 Base-Backbone interact. energy: -0.647 local terms energy: -355.369711 where: bonds (distance) C4'-P energy: -54.168 bonds (distance) P-C4' energy: -52.709 flat angles C4'-P-C4' energy: -85.547 flat angles P-C4'-P energy: -43.104 tors. eta vs tors. theta energy: -119.841 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: 7 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1339.762079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.762079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.762079 (E_RNA) where: Base-Base interactions energy: -954.097 where: short stacking energy: -365.884 Base-Backbone interact. energy: -0.888 local terms energy: -384.776904 where: bonds (distance) C4'-P energy: -67.401 bonds (distance) P-C4' energy: -75.629 flat angles C4'-P-C4' energy: -78.207 flat angles P-C4'-P energy: -61.126 tors. eta vs tors. theta energy: -102.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1373.629778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.629778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.629778 (E_RNA) where: Base-Base interactions energy: -1012.373 where: short stacking energy: -386.997 Base-Backbone interact. energy: 3.765 local terms energy: -365.022238 where: bonds (distance) C4'-P energy: -59.592 bonds (distance) P-C4' energy: -59.817 flat angles C4'-P-C4' energy: -81.352 flat angles P-C4'-P energy: -48.465 tors. eta vs tors. theta energy: -115.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1240.768898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.768898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.768898 (E_RNA) where: Base-Base interactions energy: -880.236 where: short stacking energy: -364.702 Base-Backbone interact. energy: -0.644 local terms energy: -359.889628 where: bonds (distance) C4'-P energy: -64.923 bonds (distance) P-C4' energy: -64.998 flat angles C4'-P-C4' energy: -76.276 flat angles P-C4'-P energy: -44.768 tors. eta vs tors. theta energy: -108.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1192.585930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.585930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.585930 (E_RNA) where: Base-Base interactions energy: -871.951 where: short stacking energy: -343.109 Base-Backbone interact. energy: -0.786 local terms energy: -319.849345 where: bonds (distance) C4'-P energy: -43.987 bonds (distance) P-C4' energy: -50.791 flat angles C4'-P-C4' energy: -77.027 flat angles P-C4'-P energy: -46.337 tors. eta vs tors. theta energy: -101.709 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: 156 Temperature: 1.350000 Total energy: -1141.618090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.618090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.618090 (E_RNA) where: Base-Base interactions energy: -797.156 where: short stacking energy: -304.960 Base-Backbone interact. energy: -1.496 local terms energy: -342.965278 where: bonds (distance) C4'-P energy: -64.201 bonds (distance) P-C4' energy: -75.002 flat angles C4'-P-C4' energy: -75.749 flat angles P-C4'-P energy: -42.073 tors. eta vs tors. theta energy: -85.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1675.032418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.032418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.032418 (E_RNA) where: Base-Base interactions energy: -1225.610 where: short stacking energy: -478.109 Base-Backbone interact. energy: -1.167 local terms energy: -448.255450 where: bonds (distance) C4'-P energy: -72.612 bonds (distance) P-C4' energy: -80.901 flat angles C4'-P-C4' energy: -92.063 flat angles P-C4'-P energy: -60.116 tors. eta vs tors. theta energy: -142.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1585.682174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.682174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.682174 (E_RNA) where: Base-Base interactions energy: -1152.598 where: short stacking energy: -433.174 Base-Backbone interact. energy: -0.001 local terms energy: -433.083545 where: bonds (distance) C4'-P energy: -72.508 bonds (distance) P-C4' energy: -83.516 flat angles C4'-P-C4' energy: -92.933 flat angles P-C4'-P energy: -62.831 tors. eta vs tors. theta energy: -121.296 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: 157 Temperature: 1.000000 Total energy: -1470.394109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.394109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.394109 (E_RNA) where: Base-Base interactions energy: -1064.569 where: short stacking energy: -402.846 Base-Backbone interact. energy: -0.671 local terms energy: -405.154191 where: bonds (distance) C4'-P energy: -79.996 bonds (distance) P-C4' energy: -64.815 flat angles C4'-P-C4' energy: -77.436 flat angles P-C4'-P energy: -63.588 tors. eta vs tors. theta energy: -119.320 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: 4, replica: 10 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1515.142199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.142199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.142199 (E_RNA) where: Base-Base interactions energy: -1095.542 where: short stacking energy: -433.500 Base-Backbone interact. energy: -0.247 local terms energy: -419.353757 where: bonds (distance) C4'-P energy: -63.667 bonds (distance) P-C4' energy: -75.507 flat angles C4'-P-C4' energy: -89.097 flat angles P-C4'-P energy: -61.217 tors. eta vs tors. theta energy: -129.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1452.352436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.352436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.352436 (E_RNA) where: Base-Base interactions energy: -1065.052 where: short stacking energy: -411.759 Base-Backbone interact. energy: -0.319 local terms energy: -386.981078 where: bonds (distance) C4'-P energy: -59.238 bonds (distance) P-C4' energy: -75.097 flat angles C4'-P-C4' energy: -78.833 flat angles P-C4'-P energy: -58.659 tors. eta vs tors. theta energy: -115.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1387.311765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.311765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.311765 (E_RNA) where: Base-Base interactions energy: -1002.444 where: short stacking energy: -385.000 Base-Backbone interact. energy: -0.404 local terms energy: -384.463306 where: bonds (distance) C4'-P energy: -63.911 bonds (distance) P-C4' energy: -68.587 flat angles C4'-P-C4' energy: -79.568 flat angles P-C4'-P energy: -56.420 tors. eta vs tors. theta energy: -115.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1307.010675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.010675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.010675 (E_RNA) where: Base-Base interactions energy: -952.171 where: short stacking energy: -360.839 Base-Backbone interact. energy: -0.284 local terms energy: -354.555118 where: bonds (distance) C4'-P energy: -69.686 bonds (distance) P-C4' energy: -65.715 flat angles C4'-P-C4' energy: -67.007 flat angles P-C4'-P energy: -49.436 tors. eta vs tors. theta energy: -102.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1242.431301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.431301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.431301 (E_RNA) where: Base-Base interactions energy: -881.211 where: short stacking energy: -348.402 Base-Backbone interact. energy: -0.531 local terms energy: -360.689434 where: bonds (distance) C4'-P energy: -65.715 bonds (distance) P-C4' energy: -58.874 flat angles C4'-P-C4' energy: -86.525 flat angles P-C4'-P energy: -39.659 tors. eta vs tors. theta energy: -109.916 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: 2 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1190.787677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.787677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.787677 (E_RNA) where: Base-Base interactions energy: -852.635 where: short stacking energy: -331.958 Base-Backbone interact. energy: -0.492 local terms energy: -337.660647 where: bonds (distance) C4'-P energy: -61.154 bonds (distance) P-C4' energy: -66.857 flat angles C4'-P-C4' energy: -76.700 flat angles P-C4'-P energy: -46.075 tors. eta vs tors. theta energy: -86.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -1069.433670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.433670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.433670 (E_RNA) where: Base-Base interactions energy: -747.149 where: short stacking energy: -311.686 Base-Backbone interact. energy: -0.895 local terms energy: -321.389639 where: bonds (distance) C4'-P energy: -63.344 bonds (distance) P-C4' energy: -60.812 flat angles C4'-P-C4' energy: -79.317 flat angles P-C4'-P energy: -38.845 tors. eta vs tors. theta energy: -79.071 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: 5 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1697.463708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.463708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.463708 (E_RNA) where: Base-Base interactions energy: -1225.020 where: short stacking energy: -476.226 Base-Backbone interact. energy: -0.243 local terms energy: -472.201046 where: bonds (distance) C4'-P energy: -67.769 bonds (distance) P-C4' energy: -83.407 flat angles C4'-P-C4' energy: -99.258 flat angles P-C4'-P energy: -74.703 tors. eta vs tors. theta energy: -147.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1587.965566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.965566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.965566 (E_RNA) where: Base-Base interactions energy: -1151.958 where: short stacking energy: -433.033 Base-Backbone interact. energy: -0.210 local terms energy: -435.797028 where: bonds (distance) C4'-P energy: -62.683 bonds (distance) P-C4' energy: -86.303 flat angles C4'-P-C4' energy: -90.759 flat angles P-C4'-P energy: -68.712 tors. eta vs tors. theta energy: -127.339 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: 158 Temperature: 1.000000 Total energy: -1552.939375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.939375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.939375 (E_RNA) where: Base-Base interactions energy: -1114.578 where: short stacking energy: -446.576 Base-Backbone interact. energy: -0.762 local terms energy: -437.599599 where: bonds (distance) C4'-P energy: -70.281 bonds (distance) P-C4' energy: -74.936 flat angles C4'-P-C4' energy: -88.439 flat angles P-C4'-P energy: -66.527 tors. eta vs tors. theta energy: -137.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1472.167793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.167793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.167793 (E_RNA) where: Base-Base interactions energy: -1060.877 where: short stacking energy: -406.679 Base-Backbone interact. energy: 0.309 local terms energy: -411.600454 where: bonds (distance) C4'-P energy: -69.450 bonds (distance) P-C4' energy: -74.019 flat angles C4'-P-C4' energy: -84.404 flat angles P-C4'-P energy: -57.798 tors. eta vs tors. theta energy: -125.929 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: 158 Temperature: 1.100000 Total energy: -1453.186131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.186131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.186131 (E_RNA) where: Base-Base interactions energy: -1068.703 where: short stacking energy: -392.155 Base-Backbone interact. energy: 0.000 local terms energy: -384.483293 where: bonds (distance) C4'-P energy: -59.956 bonds (distance) P-C4' energy: -72.546 flat angles C4'-P-C4' energy: -82.975 flat angles P-C4'-P energy: -62.098 tors. eta vs tors. theta energy: -106.908 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: 1 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1409.312108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.312108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.312108 (E_RNA) where: Base-Base interactions energy: -1025.217 where: short stacking energy: -398.068 Base-Backbone interact. energy: -1.349 local terms energy: -382.746416 where: bonds (distance) C4'-P energy: -68.285 bonds (distance) P-C4' energy: -62.530 flat angles C4'-P-C4' energy: -83.827 flat angles P-C4'-P energy: -51.770 tors. eta vs tors. theta energy: -116.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1323.347783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.347783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.347783 (E_RNA) where: Base-Base interactions energy: -945.057 where: short stacking energy: -367.213 Base-Backbone interact. energy: -0.988 local terms energy: -377.303216 where: bonds (distance) C4'-P energy: -69.719 bonds (distance) P-C4' energy: -76.640 flat angles C4'-P-C4' energy: -82.876 flat angles P-C4'-P energy: -41.986 tors. eta vs tors. theta energy: -106.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1238.597135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.597135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.597135 (E_RNA) where: Base-Base interactions energy: -908.851 where: short stacking energy: -344.385 Base-Backbone interact. energy: -0.598 local terms energy: -329.148660 where: bonds (distance) C4'-P energy: -57.692 bonds (distance) P-C4' energy: -51.611 flat angles C4'-P-C4' energy: -78.593 flat angles P-C4'-P energy: -40.222 tors. eta vs tors. theta energy: -101.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1095.045980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.045980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.045980 (E_RNA) where: Base-Base interactions energy: -768.870 where: short stacking energy: -319.868 Base-Backbone interact. energy: 0.102 local terms energy: -326.278353 where: bonds (distance) C4'-P energy: -55.939 bonds (distance) P-C4' energy: -62.983 flat angles C4'-P-C4' energy: -75.428 flat angles P-C4'-P energy: -38.374 tors. eta vs tors. theta energy: -93.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -1138.675068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.675068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.675068 (E_RNA) where: Base-Base interactions energy: -810.804 where: short stacking energy: -323.380 Base-Backbone interact. energy: 0.293 local terms energy: -328.164076 where: bonds (distance) C4'-P energy: -65.355 bonds (distance) P-C4' energy: -55.403 flat angles C4'-P-C4' energy: -65.347 flat angles P-C4'-P energy: -55.483 tors. eta vs tors. theta energy: -86.576 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: 1, replica: 5 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1689.651706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.651706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.651706 (E_RNA) where: Base-Base interactions energy: -1228.695 where: short stacking energy: -484.092 Base-Backbone interact. energy: -0.555 local terms energy: -460.402382 where: bonds (distance) C4'-P energy: -74.644 bonds (distance) P-C4' energy: -83.842 flat angles C4'-P-C4' energy: -89.914 flat angles P-C4'-P energy: -69.829 tors. eta vs tors. theta energy: -142.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1558.214217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.214217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.214217 (E_RNA) where: Base-Base interactions energy: -1124.352 where: short stacking energy: -440.665 Base-Backbone interact. energy: -1.324 local terms energy: -432.537756 where: bonds (distance) C4'-P energy: -72.236 bonds (distance) P-C4' energy: -74.994 flat angles C4'-P-C4' energy: -89.189 flat angles P-C4'-P energy: -63.898 tors. eta vs tors. theta energy: -132.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1551.261263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.261263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.261263 (E_RNA) where: Base-Base interactions energy: -1142.145 where: short stacking energy: -417.777 Base-Backbone interact. energy: 1.280 local terms energy: -410.396609 where: bonds (distance) C4'-P energy: -68.751 bonds (distance) P-C4' energy: -70.425 flat angles C4'-P-C4' energy: -84.299 flat angles P-C4'-P energy: -67.522 tors. eta vs tors. theta energy: -119.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1462.039623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.039623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.039623 (E_RNA) where: Base-Base interactions energy: -1065.562 where: short stacking energy: -423.474 Base-Backbone interact. energy: 1.207 local terms energy: -397.684954 where: bonds (distance) C4'-P energy: -71.942 bonds (distance) P-C4' energy: -73.853 flat angles C4'-P-C4' energy: -83.791 flat angles P-C4'-P energy: -43.708 tors. eta vs tors. theta energy: -124.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1463.101282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.101282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.101282 (E_RNA) where: Base-Base interactions energy: -1060.880 where: short stacking energy: -405.712 Base-Backbone interact. energy: -0.578 local terms energy: -401.643238 where: bonds (distance) C4'-P energy: -78.488 bonds (distance) P-C4' energy: -67.985 flat angles C4'-P-C4' energy: -80.703 flat angles P-C4'-P energy: -61.498 tors. eta vs tors. theta energy: -112.969 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: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1411.567662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.567662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.567662 (E_RNA) where: Base-Base interactions energy: -1036.926 where: short stacking energy: -377.621 Base-Backbone interact. energy: 0.316 local terms energy: -374.957795 where: bonds (distance) C4'-P energy: -68.237 bonds (distance) P-C4' energy: -67.070 flat angles C4'-P-C4' energy: -80.351 flat angles P-C4'-P energy: -50.766 tors. eta vs tors. theta energy: -108.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1317.695896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.695896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.695896 (E_RNA) where: Base-Base interactions energy: -959.831 where: short stacking energy: -365.238 Base-Backbone interact. energy: 0.214 local terms energy: -358.079689 where: bonds (distance) C4'-P energy: -62.963 bonds (distance) P-C4' energy: -64.056 flat angles C4'-P-C4' energy: -67.105 flat angles P-C4'-P energy: -54.674 tors. eta vs tors. theta energy: -109.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1203.921530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.921530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.921530 (E_RNA) where: Base-Base interactions energy: -860.616 where: short stacking energy: -334.547 Base-Backbone interact. energy: 1.040 local terms energy: -344.344981 where: bonds (distance) C4'-P energy: -66.646 bonds (distance) P-C4' energy: -61.349 flat angles C4'-P-C4' energy: -72.571 flat angles P-C4'-P energy: -48.664 tors. eta vs tors. theta energy: -95.115 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: 8 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1054.786077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.786077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.786077 (E_RNA) where: Base-Base interactions energy: -731.307 where: short stacking energy: -280.451 Base-Backbone interact. energy: 3.199 local terms energy: -326.677958 where: bonds (distance) C4'-P energy: -66.258 bonds (distance) P-C4' energy: -71.978 flat angles C4'-P-C4' energy: -64.424 flat angles P-C4'-P energy: -46.784 tors. eta vs tors. theta energy: -77.233 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: 2 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -1134.655876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.655876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.655876 (E_RNA) where: Base-Base interactions energy: -825.208 where: short stacking energy: -327.276 Base-Backbone interact. energy: -1.405 local terms energy: -308.043478 where: bonds (distance) C4'-P energy: -54.263 bonds (distance) P-C4' energy: -61.704 flat angles C4'-P-C4' energy: -70.378 flat angles P-C4'-P energy: -34.881 tors. eta vs tors. theta energy: -86.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1681.690318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.690318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.690318 (E_RNA) where: Base-Base interactions energy: -1231.245 where: short stacking energy: -485.611 Base-Backbone interact. energy: -0.052 local terms energy: -450.393398 where: bonds (distance) C4'-P energy: -73.900 bonds (distance) P-C4' energy: -75.794 flat angles C4'-P-C4' energy: -90.656 flat angles P-C4'-P energy: -63.077 tors. eta vs tors. theta energy: -146.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1576.584861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.584861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.584861 (E_RNA) where: Base-Base interactions energy: -1138.364 where: short stacking energy: -450.621 Base-Backbone interact. energy: -0.427 local terms energy: -437.793585 where: bonds (distance) C4'-P energy: -74.198 bonds (distance) P-C4' energy: -75.479 flat angles C4'-P-C4' energy: -92.227 flat angles P-C4'-P energy: -60.931 tors. eta vs tors. theta energy: -134.959 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: 160 Temperature: 1.000000 Total energy: -1562.609288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.609288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.609288 (E_RNA) where: Base-Base interactions energy: -1148.675 where: short stacking energy: -423.954 Base-Backbone interact. energy: -1.210 local terms energy: -412.723799 where: bonds (distance) C4'-P energy: -69.576 bonds (distance) P-C4' energy: -78.260 flat angles C4'-P-C4' energy: -78.224 flat angles P-C4'-P energy: -59.669 tors. eta vs tors. theta energy: -126.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1446.636558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.636558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.636558 (E_RNA) where: Base-Base interactions energy: -1041.358 where: short stacking energy: -397.585 Base-Backbone interact. energy: -0.640 local terms energy: -404.637903 where: bonds (distance) C4'-P energy: -71.970 bonds (distance) P-C4' energy: -67.943 flat angles C4'-P-C4' energy: -85.128 flat angles P-C4'-P energy: -62.252 tors. eta vs tors. theta energy: -117.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1465.873462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.873462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.873462 (E_RNA) where: Base-Base interactions energy: -1081.094 where: short stacking energy: -406.035 Base-Backbone interact. energy: -0.695 local terms energy: -384.085368 where: bonds (distance) C4'-P energy: -68.089 bonds (distance) P-C4' energy: -66.053 flat angles C4'-P-C4' energy: -81.775 flat angles P-C4'-P energy: -56.718 tors. eta vs tors. theta energy: -111.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1437.712491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.712491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.712491 (E_RNA) where: Base-Base interactions energy: -1048.264 where: short stacking energy: -397.765 Base-Backbone interact. energy: 0.829 local terms energy: -390.278083 where: bonds (distance) C4'-P energy: -70.877 bonds (distance) P-C4' energy: -62.399 flat angles C4'-P-C4' energy: -84.848 flat angles P-C4'-P energy: -55.864 tors. eta vs tors. theta energy: -116.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1293.523113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.523113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.523113 (E_RNA) where: Base-Base interactions energy: -943.097 where: short stacking energy: -359.149 Base-Backbone interact. energy: -2.388 local terms energy: -348.038235 where: bonds (distance) C4'-P energy: -63.195 bonds (distance) P-C4' energy: -63.669 flat angles C4'-P-C4' energy: -74.316 flat angles P-C4'-P energy: -41.989 tors. eta vs tors. theta energy: -104.870 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: 3 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1213.718879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.718879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.718879 (E_RNA) where: Base-Base interactions energy: -875.307 where: short stacking energy: -348.137 Base-Backbone interact. energy: -0.882 local terms energy: -337.529441 where: bonds (distance) C4'-P energy: -56.313 bonds (distance) P-C4' energy: -69.026 flat angles C4'-P-C4' energy: -67.552 flat angles P-C4'-P energy: -44.554 tors. eta vs tors. theta energy: -100.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1173.329553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.329553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.329553 (E_RNA) where: Base-Base interactions energy: -846.796 where: short stacking energy: -329.999 Base-Backbone interact. energy: 4.173 local terms energy: -330.706861 where: bonds (distance) C4'-P energy: -61.684 bonds (distance) P-C4' energy: -59.590 flat angles C4'-P-C4' energy: -73.200 flat angles P-C4'-P energy: -48.817 tors. eta vs tors. theta energy: -87.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -1039.149396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.149396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.149396 (E_RNA) where: Base-Base interactions energy: -737.090 where: short stacking energy: -285.996 Base-Backbone interact. energy: 0.307 local terms energy: -302.366655 where: bonds (distance) C4'-P energy: -56.070 bonds (distance) P-C4' energy: -61.569 flat angles C4'-P-C4' energy: -69.622 flat angles P-C4'-P energy: -40.483 tors. eta vs tors. theta energy: -74.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1703.499650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.499650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.499650 (E_RNA) where: Base-Base interactions energy: -1230.628 where: short stacking energy: -492.987 Base-Backbone interact. energy: -0.255 local terms energy: -472.616991 where: bonds (distance) C4'-P energy: -81.303 bonds (distance) P-C4' energy: -80.576 flat angles C4'-P-C4' energy: -95.685 flat angles P-C4'-P energy: -67.895 tors. eta vs tors. theta energy: -147.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1576.416897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.416897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.416897 (E_RNA) where: Base-Base interactions energy: -1131.278 where: short stacking energy: -459.514 Base-Backbone interact. energy: -1.370 local terms energy: -443.769077 where: bonds (distance) C4'-P energy: -74.565 bonds (distance) P-C4' energy: -82.604 flat angles C4'-P-C4' energy: -87.116 flat angles P-C4'-P energy: -67.971 tors. eta vs tors. theta energy: -131.512 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: 9 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1544.305153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.305153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.305153 (E_RNA) where: Base-Base interactions energy: -1123.648 where: short stacking energy: -440.266 Base-Backbone interact. energy: -1.259 local terms energy: -419.398252 where: bonds (distance) C4'-P energy: -76.315 bonds (distance) P-C4' energy: -68.458 flat angles C4'-P-C4' energy: -90.073 flat angles P-C4'-P energy: -57.215 tors. eta vs tors. theta energy: -127.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1476.367855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.367855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.367855 (E_RNA) where: Base-Base interactions energy: -1056.916 where: short stacking energy: -409.708 Base-Backbone interact. energy: -1.236 local terms energy: -418.215889 where: bonds (distance) C4'-P energy: -66.186 bonds (distance) P-C4' energy: -84.920 flat angles C4'-P-C4' energy: -81.363 flat angles P-C4'-P energy: -68.513 tors. eta vs tors. theta energy: -117.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1415.134128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.134128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.134128 (E_RNA) where: Base-Base interactions energy: -1046.600 where: short stacking energy: -396.485 Base-Backbone interact. energy: -1.645 local terms energy: -366.889404 where: bonds (distance) C4'-P energy: -59.612 bonds (distance) P-C4' energy: -65.981 flat angles C4'-P-C4' energy: -80.489 flat angles P-C4'-P energy: -54.538 tors. eta vs tors. theta energy: -106.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1413.849895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.849895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.849895 (E_RNA) where: Base-Base interactions energy: -1027.278 where: short stacking energy: -389.011 Base-Backbone interact. energy: 0.619 local terms energy: -387.190806 where: bonds (distance) C4'-P energy: -59.841 bonds (distance) P-C4' energy: -72.596 flat angles C4'-P-C4' energy: -89.073 flat angles P-C4'-P energy: -49.450 tors. eta vs tors. theta energy: -116.231 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: 7 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1323.709272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.709272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.709272 (E_RNA) where: Base-Base interactions energy: -953.233 where: short stacking energy: -373.106 Base-Backbone interact. energy: -0.970 local terms energy: -369.506329 where: bonds (distance) C4'-P energy: -63.722 bonds (distance) P-C4' energy: -63.220 flat angles C4'-P-C4' energy: -77.060 flat angles P-C4'-P energy: -54.591 tors. eta vs tors. theta energy: -110.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1221.818064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.818064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.818064 (E_RNA) where: Base-Base interactions energy: -872.586 where: short stacking energy: -351.686 Base-Backbone interact. energy: -1.730 local terms energy: -347.501562 where: bonds (distance) C4'-P energy: -57.902 bonds (distance) P-C4' energy: -59.949 flat angles C4'-P-C4' energy: -82.748 flat angles P-C4'-P energy: -51.485 tors. eta vs tors. theta energy: -95.417 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: 2 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1178.346767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.346767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.346767 (E_RNA) where: Base-Base interactions energy: -839.117 where: short stacking energy: -341.071 Base-Backbone interact. energy: 0.774 local terms energy: -340.003722 where: bonds (distance) C4'-P energy: -60.104 bonds (distance) P-C4' energy: -70.612 flat angles C4'-P-C4' energy: -78.673 flat angles P-C4'-P energy: -34.951 tors. eta vs tors. theta energy: -95.665 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: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -1030.815569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.815569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.815569 (E_RNA) where: Base-Base interactions energy: -721.358 where: short stacking energy: -284.278 Base-Backbone interact. energy: 2.027 local terms energy: -311.484654 where: bonds (distance) C4'-P energy: -65.320 bonds (distance) P-C4' energy: -58.561 flat angles C4'-P-C4' energy: -72.612 flat angles P-C4'-P energy: -48.876 tors. eta vs tors. theta energy: -66.117 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: 5 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1686.643411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.643411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.643411 (E_RNA) where: Base-Base interactions energy: -1238.918 where: short stacking energy: -476.551 Base-Backbone interact. energy: 0.742 local terms energy: -448.467664 where: bonds (distance) C4'-P energy: -71.276 bonds (distance) P-C4' energy: -71.848 flat angles C4'-P-C4' energy: -91.297 flat angles P-C4'-P energy: -67.754 tors. eta vs tors. theta energy: -146.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1576.154321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.154321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.154321 (E_RNA) where: Base-Base interactions energy: -1144.894 where: short stacking energy: -447.676 Base-Backbone interact. energy: 0.113 local terms energy: -431.372894 where: bonds (distance) C4'-P energy: -68.414 bonds (distance) P-C4' energy: -73.367 flat angles C4'-P-C4' energy: -92.134 flat angles P-C4'-P energy: -63.429 tors. eta vs tors. theta energy: -134.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1550.383268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.383268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.383268 (E_RNA) where: Base-Base interactions energy: -1134.163 where: short stacking energy: -430.014 Base-Backbone interact. energy: -1.226 local terms energy: -414.994802 where: bonds (distance) C4'-P energy: -77.586 bonds (distance) P-C4' energy: -67.685 flat angles C4'-P-C4' energy: -86.690 flat angles P-C4'-P energy: -60.601 tors. eta vs tors. theta energy: -122.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1495.393014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.393014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.393014 (E_RNA) where: Base-Base interactions energy: -1096.732 where: short stacking energy: -417.047 Base-Backbone interact. energy: -0.346 local terms energy: -398.314495 where: bonds (distance) C4'-P energy: -68.577 bonds (distance) P-C4' energy: -64.870 flat angles C4'-P-C4' energy: -88.986 flat angles P-C4'-P energy: -57.135 tors. eta vs tors. theta energy: -118.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1436.653416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.653416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.653416 (E_RNA) where: Base-Base interactions energy: -1038.874 where: short stacking energy: -409.079 Base-Backbone interact. energy: 0.934 local terms energy: -398.712894 where: bonds (distance) C4'-P energy: -66.140 bonds (distance) P-C4' energy: -74.279 flat angles C4'-P-C4' energy: -81.940 flat angles P-C4'-P energy: -59.537 tors. eta vs tors. theta energy: -116.816 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: 6, replica: 6 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1389.860440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.860440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.860440 (E_RNA) where: Base-Base interactions energy: -1037.081 where: short stacking energy: -387.841 Base-Backbone interact. energy: -2.035 local terms energy: -350.744504 where: bonds (distance) C4'-P energy: -67.415 bonds (distance) P-C4' energy: -56.649 flat angles C4'-P-C4' energy: -79.557 flat angles P-C4'-P energy: -42.630 tors. eta vs tors. theta energy: -104.493 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: 7 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1287.881469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.881469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.881469 (E_RNA) where: Base-Base interactions energy: -919.032 where: short stacking energy: -370.145 Base-Backbone interact. energy: -1.325 local terms energy: -367.524391 where: bonds (distance) C4'-P energy: -67.080 bonds (distance) P-C4' energy: -57.125 flat angles C4'-P-C4' energy: -75.261 flat angles P-C4'-P energy: -59.131 tors. eta vs tors. theta energy: -108.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1222.953936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.953936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.953936 (E_RNA) where: Base-Base interactions energy: -869.273 where: short stacking energy: -339.781 Base-Backbone interact. energy: -0.264 local terms energy: -353.417313 where: bonds (distance) C4'-P energy: -72.892 bonds (distance) P-C4' energy: -63.946 flat angles C4'-P-C4' energy: -78.488 flat angles P-C4'-P energy: -44.262 tors. eta vs tors. theta energy: -93.830 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: 8 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1039.624966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.624966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.624966 (E_RNA) where: Base-Base interactions energy: -718.766 where: short stacking energy: -285.756 Base-Backbone interact. energy: -0.928 local terms energy: -319.930552 where: bonds (distance) C4'-P energy: -64.715 bonds (distance) P-C4' energy: -62.046 flat angles C4'-P-C4' energy: -73.393 flat angles P-C4'-P energy: -48.763 tors. eta vs tors. theta energy: -71.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -1149.827976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.827976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.827976 (E_RNA) where: Base-Base interactions energy: -822.004 where: short stacking energy: -332.016 Base-Backbone interact. energy: -1.068 local terms energy: -326.756640 where: bonds (distance) C4'-P energy: -57.777 bonds (distance) P-C4' energy: -65.424 flat angles C4'-P-C4' energy: -72.130 flat angles P-C4'-P energy: -43.690 tors. eta vs tors. theta energy: -87.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1685.717969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.717969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.717969 (E_RNA) where: Base-Base interactions energy: -1234.302 where: short stacking energy: -473.481 Base-Backbone interact. energy: -1.079 local terms energy: -450.337522 where: bonds (distance) C4'-P energy: -65.310 bonds (distance) P-C4' energy: -79.401 flat angles C4'-P-C4' energy: -94.051 flat angles P-C4'-P energy: -71.168 tors. eta vs tors. theta energy: -140.408 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: 2, replica: 9 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1577.277789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.277789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.277789 (E_RNA) where: Base-Base interactions energy: -1157.983 where: short stacking energy: -425.973 Base-Backbone interact. energy: 0.032 local terms energy: -419.326505 where: bonds (distance) C4'-P energy: -68.151 bonds (distance) P-C4' energy: -79.803 flat angles C4'-P-C4' energy: -93.621 flat angles P-C4'-P energy: -52.530 tors. eta vs tors. theta energy: -125.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1552.034574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.034574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.034574 (E_RNA) where: Base-Base interactions energy: -1120.534 where: short stacking energy: -445.016 Base-Backbone interact. energy: 1.567 local terms energy: -433.067567 where: bonds (distance) C4'-P energy: -74.214 bonds (distance) P-C4' energy: -64.739 flat angles C4'-P-C4' energy: -90.303 flat angles P-C4'-P energy: -66.130 tors. eta vs tors. theta energy: -137.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1474.510333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.510333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.510333 (E_RNA) where: Base-Base interactions energy: -1078.462 where: short stacking energy: -414.157 Base-Backbone interact. energy: -0.189 local terms energy: -395.859278 where: bonds (distance) C4'-P energy: -63.853 bonds (distance) P-C4' energy: -75.689 flat angles C4'-P-C4' energy: -87.228 flat angles P-C4'-P energy: -43.983 tors. eta vs tors. theta energy: -125.107 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: 1 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1446.201369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.201369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.201369 (E_RNA) where: Base-Base interactions energy: -1070.174 where: short stacking energy: -414.011 Base-Backbone interact. energy: 0.094 local terms energy: -376.121601 where: bonds (distance) C4'-P energy: -62.995 bonds (distance) P-C4' energy: -71.709 flat angles C4'-P-C4' energy: -76.998 flat angles P-C4'-P energy: -52.211 tors. eta vs tors. theta energy: -112.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1327.354274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.354274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.354274 (E_RNA) where: Base-Base interactions energy: -948.458 where: short stacking energy: -363.708 Base-Backbone interact. energy: 0.934 local terms energy: -379.830009 where: bonds (distance) C4'-P energy: -68.315 bonds (distance) P-C4' energy: -72.603 flat angles C4'-P-C4' energy: -85.252 flat angles P-C4'-P energy: -45.563 tors. eta vs tors. theta energy: -108.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1386.757362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.757362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.757362 (E_RNA) where: Base-Base interactions energy: -994.032 where: short stacking energy: -389.156 Base-Backbone interact. energy: -0.213 local terms energy: -392.512712 where: bonds (distance) C4'-P energy: -70.371 bonds (distance) P-C4' energy: -72.314 flat angles C4'-P-C4' energy: -79.356 flat angles P-C4'-P energy: -60.763 tors. eta vs tors. theta energy: -109.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1200.277911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.277911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.277911 (E_RNA) where: Base-Base interactions energy: -867.002 where: short stacking energy: -346.585 Base-Backbone interact. energy: -0.277 local terms energy: -332.999489 where: bonds (distance) C4'-P energy: -53.971 bonds (distance) P-C4' energy: -65.433 flat angles C4'-P-C4' energy: -75.825 flat angles P-C4'-P energy: -51.661 tors. eta vs tors. theta energy: -86.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1054.716827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.716827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.716827 (E_RNA) where: Base-Base interactions energy: -738.423 where: short stacking energy: -290.961 Base-Backbone interact. energy: -1.476 local terms energy: -314.818421 where: bonds (distance) C4'-P energy: -63.083 bonds (distance) P-C4' energy: -68.090 flat angles C4'-P-C4' energy: -67.952 flat angles P-C4'-P energy: -36.685 tors. eta vs tors. theta energy: -79.008 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: 2 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -1160.720213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.720213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.720213 (E_RNA) where: Base-Base interactions energy: -840.646 where: short stacking energy: -336.279 Base-Backbone interact. energy: -0.717 local terms energy: -319.357781 where: bonds (distance) C4'-P energy: -50.503 bonds (distance) P-C4' energy: -60.420 flat angles C4'-P-C4' energy: -74.014 flat angles P-C4'-P energy: -41.556 tors. eta vs tors. theta energy: -92.865 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: 1, replica: 5 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1657.473748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.473748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.473748 (E_RNA) where: Base-Base interactions energy: -1205.689 where: short stacking energy: -477.701 Base-Backbone interact. energy: -0.271 local terms energy: -451.513686 where: bonds (distance) C4'-P energy: -66.982 bonds (distance) P-C4' energy: -80.600 flat angles C4'-P-C4' energy: -92.394 flat angles P-C4'-P energy: -71.456 tors. eta vs tors. theta energy: -140.081 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: 9 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1598.106004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.106004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.106004 (E_RNA) where: Base-Base interactions energy: -1157.639 where: short stacking energy: -439.984 Base-Backbone interact. energy: 2.152 local terms energy: -442.619012 where: bonds (distance) C4'-P energy: -81.370 bonds (distance) P-C4' energy: -85.096 flat angles C4'-P-C4' energy: -91.163 flat angles P-C4'-P energy: -62.195 tors. eta vs tors. theta energy: -122.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1536.605286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.605286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.605286 (E_RNA) where: Base-Base interactions energy: -1111.145 where: short stacking energy: -444.050 Base-Backbone interact. energy: -0.502 local terms energy: -424.959115 where: bonds (distance) C4'-P energy: -72.813 bonds (distance) P-C4' energy: -70.009 flat angles C4'-P-C4' energy: -89.846 flat angles P-C4'-P energy: -59.941 tors. eta vs tors. theta energy: -132.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1469.710008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.710008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.710008 (E_RNA) where: Base-Base interactions energy: -1042.284 where: short stacking energy: -415.581 Base-Backbone interact. energy: -0.195 local terms energy: -427.231403 where: bonds (distance) C4'-P energy: -69.467 bonds (distance) P-C4' energy: -68.670 flat angles C4'-P-C4' energy: -90.201 flat angles P-C4'-P energy: -73.817 tors. eta vs tors. theta energy: -125.076 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: 164 Temperature: 1.100000 Total energy: -1450.299046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.299046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.299046 (E_RNA) where: Base-Base interactions energy: -1065.823 where: short stacking energy: -408.518 Base-Backbone interact. energy: -0.516 local terms energy: -383.960030 where: bonds (distance) C4'-P energy: -63.908 bonds (distance) P-C4' energy: -64.593 flat angles C4'-P-C4' energy: -76.252 flat angles P-C4'-P energy: -66.367 tors. eta vs tors. theta energy: -112.840 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: 7 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1330.491196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.491196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.491196 (E_RNA) where: Base-Base interactions energy: -951.178 where: short stacking energy: -374.062 Base-Backbone interact. energy: 1.808 local terms energy: -381.120973 where: bonds (distance) C4'-P energy: -67.608 bonds (distance) P-C4' energy: -65.514 flat angles C4'-P-C4' energy: -84.581 flat angles P-C4'-P energy: -51.865 tors. eta vs tors. theta energy: -111.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1358.393991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.393991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.393991 (E_RNA) where: Base-Base interactions energy: -990.677 where: short stacking energy: -375.074 Base-Backbone interact. energy: 1.333 local terms energy: -369.050476 where: bonds (distance) C4'-P energy: -62.660 bonds (distance) P-C4' energy: -75.245 flat angles C4'-P-C4' energy: -80.287 flat angles P-C4'-P energy: -41.807 tors. eta vs tors. theta energy: -109.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1212.193508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.193508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.193508 (E_RNA) where: Base-Base interactions energy: -883.948 where: short stacking energy: -338.775 Base-Backbone interact. energy: -0.502 local terms energy: -327.743468 where: bonds (distance) C4'-P energy: -48.745 bonds (distance) P-C4' energy: -53.978 flat angles C4'-P-C4' energy: -70.930 flat angles P-C4'-P energy: -58.386 tors. eta vs tors. theta energy: -95.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1177.676023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.676023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.676023 (E_RNA) where: Base-Base interactions energy: -849.045 where: short stacking energy: -343.769 Base-Backbone interact. energy: -0.251 local terms energy: -328.380144 where: bonds (distance) C4'-P energy: -47.747 bonds (distance) P-C4' energy: -61.363 flat angles C4'-P-C4' energy: -81.766 flat angles P-C4'-P energy: -39.261 tors. eta vs tors. theta energy: -98.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1056.582447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.582447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.582447 (E_RNA) where: Base-Base interactions energy: -745.901 where: short stacking energy: -297.438 Base-Backbone interact. energy: -0.785 local terms energy: -309.896218 where: bonds (distance) C4'-P energy: -60.127 bonds (distance) P-C4' energy: -59.224 flat angles C4'-P-C4' energy: -66.038 flat angles P-C4'-P energy: -42.914 tors. eta vs tors. theta energy: -81.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1685.508143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.508143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.508143 (E_RNA) where: Base-Base interactions energy: -1243.070 where: short stacking energy: -492.985 Base-Backbone interact. energy: -0.218 local terms energy: -442.220072 where: bonds (distance) C4'-P energy: -58.591 bonds (distance) P-C4' energy: -71.546 flat angles C4'-P-C4' energy: -92.779 flat angles P-C4'-P energy: -73.765 tors. eta vs tors. theta energy: -145.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1586.053935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.053935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.053935 (E_RNA) where: Base-Base interactions energy: -1150.544 where: short stacking energy: -438.797 Base-Backbone interact. energy: -2.288 local terms energy: -433.221504 where: bonds (distance) C4'-P energy: -75.394 bonds (distance) P-C4' energy: -71.325 flat angles C4'-P-C4' energy: -87.884 flat angles P-C4'-P energy: -68.394 tors. eta vs tors. theta energy: -130.225 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: 10 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1541.946123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.946123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.946123 (E_RNA) where: Base-Base interactions energy: -1111.826 where: short stacking energy: -442.236 Base-Backbone interact. energy: -0.759 local terms energy: -429.361571 where: bonds (distance) C4'-P energy: -74.273 bonds (distance) P-C4' energy: -72.983 flat angles C4'-P-C4' energy: -85.410 flat angles P-C4'-P energy: -62.464 tors. eta vs tors. theta energy: -134.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1475.646274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.646274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.646274 (E_RNA) where: Base-Base interactions energy: -1072.531 where: short stacking energy: -417.192 Base-Backbone interact. energy: 0.419 local terms energy: -403.534068 where: bonds (distance) C4'-P energy: -68.458 bonds (distance) P-C4' energy: -69.406 flat angles C4'-P-C4' energy: -83.136 flat angles P-C4'-P energy: -57.607 tors. eta vs tors. theta energy: -124.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1416.078031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.078031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.078031 (E_RNA) where: Base-Base interactions energy: -1009.248 where: short stacking energy: -395.733 Base-Backbone interact. energy: 0.152 local terms energy: -406.982051 where: bonds (distance) C4'-P energy: -70.955 bonds (distance) P-C4' energy: -81.082 flat angles C4'-P-C4' energy: -79.419 flat angles P-C4'-P energy: -55.932 tors. eta vs tors. theta energy: -119.594 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: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1368.950446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.950446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.950446 (E_RNA) where: Base-Base interactions energy: -993.749 where: short stacking energy: -368.011 Base-Backbone interact. energy: -2.551 local terms energy: -372.650380 where: bonds (distance) C4'-P energy: -71.906 bonds (distance) P-C4' energy: -61.887 flat angles C4'-P-C4' energy: -85.938 flat angles P-C4'-P energy: -43.881 tors. eta vs tors. theta energy: -109.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1305.882931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.882931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.882931 (E_RNA) where: Base-Base interactions energy: -939.579 where: short stacking energy: -357.846 Base-Backbone interact. energy: 1.805 local terms energy: -368.109027 where: bonds (distance) C4'-P energy: -63.186 bonds (distance) P-C4' energy: -70.257 flat angles C4'-P-C4' energy: -80.830 flat angles P-C4'-P energy: -49.354 tors. eta vs tors. theta energy: -104.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1241.520250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.520250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.520250 (E_RNA) where: Base-Base interactions energy: -901.071 where: short stacking energy: -355.013 Base-Backbone interact. energy: -0.450 local terms energy: -339.999298 where: bonds (distance) C4'-P energy: -45.724 bonds (distance) P-C4' energy: -68.587 flat angles C4'-P-C4' energy: -72.017 flat angles P-C4'-P energy: -53.550 tors. eta vs tors. theta energy: -100.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1176.688868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.688868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.688868 (E_RNA) where: Base-Base interactions energy: -852.323 where: short stacking energy: -331.193 Base-Backbone interact. energy: 2.733 local terms energy: -327.099089 where: bonds (distance) C4'-P energy: -57.488 bonds (distance) P-C4' energy: -61.116 flat angles C4'-P-C4' energy: -68.398 flat angles P-C4'-P energy: -49.963 tors. eta vs tors. theta energy: -90.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1043.179347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.179347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.179347 (E_RNA) where: Base-Base interactions energy: -744.989 where: short stacking energy: -311.337 Base-Backbone interact. energy: 3.170 local terms energy: -301.360417 where: bonds (distance) C4'-P energy: -44.683 bonds (distance) P-C4' energy: -62.837 flat angles C4'-P-C4' energy: -65.676 flat angles P-C4'-P energy: -44.876 tors. eta vs tors. theta energy: -83.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1688.940578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.940578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.940578 (E_RNA) where: Base-Base interactions energy: -1232.351 where: short stacking energy: -489.381 Base-Backbone interact. energy: -0.471 local terms energy: -456.118727 where: bonds (distance) C4'-P energy: -75.853 bonds (distance) P-C4' energy: -74.844 flat angles C4'-P-C4' energy: -90.881 flat angles P-C4'-P energy: -72.399 tors. eta vs tors. theta energy: -142.142 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: 9 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1579.344291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.344291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.344291 (E_RNA) where: Base-Base interactions energy: -1176.864 where: short stacking energy: -447.810 Base-Backbone interact. energy: 7.419 local terms energy: -409.899640 where: bonds (distance) C4'-P energy: -66.902 bonds (distance) P-C4' energy: -66.502 flat angles C4'-P-C4' energy: -88.222 flat angles P-C4'-P energy: -62.788 tors. eta vs tors. theta energy: -125.485 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: 10 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1564.379093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.379093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.379093 (E_RNA) where: Base-Base interactions energy: -1133.623 where: short stacking energy: -435.783 Base-Backbone interact. energy: 0.126 local terms energy: -430.882187 where: bonds (distance) C4'-P energy: -86.557 bonds (distance) P-C4' energy: -58.283 flat angles C4'-P-C4' energy: -93.257 flat angles P-C4'-P energy: -61.490 tors. eta vs tors. theta energy: -131.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1488.837599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.837599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.837599 (E_RNA) where: Base-Base interactions energy: -1076.672 where: short stacking energy: -416.288 Base-Backbone interact. energy: -0.282 local terms energy: -411.883956 where: bonds (distance) C4'-P energy: -71.996 bonds (distance) P-C4' energy: -69.995 flat angles C4'-P-C4' energy: -87.243 flat angles P-C4'-P energy: -60.089 tors. eta vs tors. theta energy: -122.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1424.881992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.881992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.881992 (E_RNA) where: Base-Base interactions energy: -1044.022 where: short stacking energy: -395.762 Base-Backbone interact. energy: -0.988 local terms energy: -379.871529 where: bonds (distance) C4'-P energy: -66.535 bonds (distance) P-C4' energy: -67.269 flat angles C4'-P-C4' energy: -82.680 flat angles P-C4'-P energy: -50.470 tors. eta vs tors. theta energy: -112.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1404.754787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.754787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.754787 (E_RNA) where: Base-Base interactions energy: -1025.410 where: short stacking energy: -388.179 Base-Backbone interact. energy: -0.301 local terms energy: -379.043721 where: bonds (distance) C4'-P energy: -65.005 bonds (distance) P-C4' energy: -68.282 flat angles C4'-P-C4' energy: -74.034 flat angles P-C4'-P energy: -58.412 tors. eta vs tors. theta energy: -113.309 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: 7 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1316.741313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.741313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.741313 (E_RNA) where: Base-Base interactions energy: -952.504 where: short stacking energy: -375.858 Base-Backbone interact. energy: -2.619 local terms energy: -361.618411 where: bonds (distance) C4'-P energy: -65.447 bonds (distance) P-C4' energy: -56.557 flat angles C4'-P-C4' energy: -86.137 flat angles P-C4'-P energy: -44.232 tors. eta vs tors. theta energy: -109.245 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: 8, replica: 3 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1258.233228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.233228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.233228 (E_RNA) where: Base-Base interactions energy: -897.835 where: short stacking energy: -335.670 Base-Backbone interact. energy: -0.447 local terms energy: -359.951520 where: bonds (distance) C4'-P energy: -69.628 bonds (distance) P-C4' energy: -66.169 flat angles C4'-P-C4' energy: -83.106 flat angles P-C4'-P energy: -46.263 tors. eta vs tors. theta energy: -94.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1205.504029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.504029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.504029 (E_RNA) where: Base-Base interactions energy: -874.888 where: short stacking energy: -344.588 Base-Backbone interact. energy: -1.392 local terms energy: -329.224017 where: bonds (distance) C4'-P energy: -57.636 bonds (distance) P-C4' energy: -58.935 flat angles C4'-P-C4' energy: -79.569 flat angles P-C4'-P energy: -46.384 tors. eta vs tors. theta energy: -86.700 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: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -1064.558432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.558432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.558432 (E_RNA) where: Base-Base interactions energy: -766.579 where: short stacking energy: -296.851 Base-Backbone interact. energy: -2.017 local terms energy: -295.962880 where: bonds (distance) C4'-P energy: -49.931 bonds (distance) P-C4' energy: -54.288 flat angles C4'-P-C4' energy: -73.139 flat angles P-C4'-P energy: -39.200 tors. eta vs tors. theta energy: -79.404 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: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1690.481519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.481519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.481519 (E_RNA) where: Base-Base interactions energy: -1236.009 where: short stacking energy: -483.131 Base-Backbone interact. energy: 0.221 local terms energy: -454.692922 where: bonds (distance) C4'-P energy: -76.858 bonds (distance) P-C4' energy: -71.385 flat angles C4'-P-C4' energy: -88.356 flat angles P-C4'-P energy: -72.341 tors. eta vs tors. theta energy: -145.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1567.000017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.000017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.000017 (E_RNA) where: Base-Base interactions energy: -1143.118 where: short stacking energy: -462.272 Base-Backbone interact. energy: -0.909 local terms energy: -422.973285 where: bonds (distance) C4'-P energy: -73.738 bonds (distance) P-C4' energy: -65.282 flat angles C4'-P-C4' energy: -84.871 flat angles P-C4'-P energy: -66.369 tors. eta vs tors. theta energy: -132.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1557.284704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.284704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.284704 (E_RNA) where: Base-Base interactions energy: -1153.021 where: short stacking energy: -440.765 Base-Backbone interact. energy: -2.486 local terms energy: -401.778116 where: bonds (distance) C4'-P energy: -64.494 bonds (distance) P-C4' energy: -66.357 flat angles C4'-P-C4' energy: -86.284 flat angles P-C4'-P energy: -59.601 tors. eta vs tors. theta energy: -125.042 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: 1 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1483.224750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.224750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.224750 (E_RNA) where: Base-Base interactions energy: -1077.486 where: short stacking energy: -409.028 Base-Backbone interact. energy: 1.178 local terms energy: -406.916056 where: bonds (distance) C4'-P energy: -71.910 bonds (distance) P-C4' energy: -68.719 flat angles C4'-P-C4' energy: -85.031 flat angles P-C4'-P energy: -62.937 tors. eta vs tors. theta energy: -118.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1423.229256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.229256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.229256 (E_RNA) where: Base-Base interactions energy: -1080.554 where: short stacking energy: -405.103 Base-Backbone interact. energy: -0.102 local terms energy: -342.573027 where: bonds (distance) C4'-P energy: -45.641 bonds (distance) P-C4' energy: -69.812 flat angles C4'-P-C4' energy: -72.105 flat angles P-C4'-P energy: -45.797 tors. eta vs tors. theta energy: -109.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1394.681269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.681269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.681269 (E_RNA) where: Base-Base interactions energy: -1015.968 where: short stacking energy: -397.936 Base-Backbone interact. energy: 0.427 local terms energy: -379.141220 where: bonds (distance) C4'-P energy: -68.469 bonds (distance) P-C4' energy: -60.466 flat angles C4'-P-C4' energy: -79.413 flat angles P-C4'-P energy: -49.756 tors. eta vs tors. theta energy: -121.037 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: 7 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1316.046650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.046650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.046650 (E_RNA) where: Base-Base interactions energy: -945.138 where: short stacking energy: -369.246 Base-Backbone interact. energy: -0.260 local terms energy: -370.648444 where: bonds (distance) C4'-P energy: -61.676 bonds (distance) P-C4' energy: -69.198 flat angles C4'-P-C4' energy: -79.651 flat angles P-C4'-P energy: -48.610 tors. eta vs tors. theta energy: -111.512 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: 3 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1253.533405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.533405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.533405 (E_RNA) where: Base-Base interactions energy: -912.975 where: short stacking energy: -349.281 Base-Backbone interact. energy: 2.323 local terms energy: -342.881929 where: bonds (distance) C4'-P energy: -54.070 bonds (distance) P-C4' energy: -57.734 flat angles C4'-P-C4' energy: -86.381 flat angles P-C4'-P energy: -46.981 tors. eta vs tors. theta energy: -97.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1188.018013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.018013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.018013 (E_RNA) where: Base-Base interactions energy: -847.409 where: short stacking energy: -321.895 Base-Backbone interact. energy: -0.772 local terms energy: -339.837840 where: bonds (distance) C4'-P energy: -60.355 bonds (distance) P-C4' energy: -57.068 flat angles C4'-P-C4' energy: -78.353 flat angles P-C4'-P energy: -53.261 tors. eta vs tors. theta energy: -90.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -1087.768652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.768652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.768652 (E_RNA) where: Base-Base interactions energy: -736.440 where: short stacking energy: -282.986 Base-Backbone interact. energy: 0.319 local terms energy: -351.647717 where: bonds (distance) C4'-P energy: -64.687 bonds (distance) P-C4' energy: -76.786 flat angles C4'-P-C4' energy: -75.693 flat angles P-C4'-P energy: -57.666 tors. eta vs tors. theta energy: -76.816 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: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1692.444385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.444385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.444385 (E_RNA) where: Base-Base interactions energy: -1233.235 where: short stacking energy: -491.071 Base-Backbone interact. energy: -0.476 local terms energy: -458.733550 where: bonds (distance) C4'-P energy: -74.127 bonds (distance) P-C4' energy: -82.006 flat angles C4'-P-C4' energy: -93.103 flat angles P-C4'-P energy: -63.484 tors. eta vs tors. theta energy: -146.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1566.947170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.947170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.947170 (E_RNA) where: Base-Base interactions energy: -1136.810 where: short stacking energy: -459.578 Base-Backbone interact. energy: -0.584 local terms energy: -429.553919 where: bonds (distance) C4'-P energy: -77.553 bonds (distance) P-C4' energy: -64.615 flat angles C4'-P-C4' energy: -88.004 flat angles P-C4'-P energy: -61.251 tors. eta vs tors. theta energy: -138.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1565.932874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.932874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.932874 (E_RNA) where: Base-Base interactions energy: -1170.671 where: short stacking energy: -441.195 Base-Backbone interact. energy: 0.361 local terms energy: -395.622561 where: bonds (distance) C4'-P energy: -67.361 bonds (distance) P-C4' energy: -62.014 flat angles C4'-P-C4' energy: -83.295 flat angles P-C4'-P energy: -57.825 tors. eta vs tors. theta energy: -125.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1458.834268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.834268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.834268 (E_RNA) where: Base-Base interactions energy: -1057.879 where: short stacking energy: -401.239 Base-Backbone interact. energy: 1.502 local terms energy: -402.456929 where: bonds (distance) C4'-P energy: -60.969 bonds (distance) P-C4' energy: -70.243 flat angles C4'-P-C4' energy: -84.674 flat angles P-C4'-P energy: -66.602 tors. eta vs tors. theta energy: -119.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1422.924513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.924513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.924513 (E_RNA) where: Base-Base interactions energy: -1033.429 where: short stacking energy: -381.424 Base-Backbone interact. energy: -2.809 local terms energy: -386.686152 where: bonds (distance) C4'-P energy: -63.498 bonds (distance) P-C4' energy: -69.777 flat angles C4'-P-C4' energy: -82.285 flat angles P-C4'-P energy: -61.221 tors. eta vs tors. theta energy: -109.905 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: 4 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1388.933845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.933845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.933845 (E_RNA) where: Base-Base interactions energy: -998.352 where: short stacking energy: -395.413 Base-Backbone interact. energy: -0.120 local terms energy: -390.462131 where: bonds (distance) C4'-P energy: -86.019 bonds (distance) P-C4' energy: -61.316 flat angles C4'-P-C4' energy: -74.087 flat angles P-C4'-P energy: -50.372 tors. eta vs tors. theta energy: -118.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1291.147940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.147940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.147940 (E_RNA) where: Base-Base interactions energy: -934.495 where: short stacking energy: -366.282 Base-Backbone interact. energy: 1.384 local terms energy: -358.036273 where: bonds (distance) C4'-P energy: -60.208 bonds (distance) P-C4' energy: -58.669 flat angles C4'-P-C4' energy: -83.563 flat angles P-C4'-P energy: -49.540 tors. eta vs tors. theta energy: -106.057 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: 8, replica: 3 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1257.783361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.783361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.783361 (E_RNA) where: Base-Base interactions energy: -932.963 where: short stacking energy: -361.840 Base-Backbone interact. energy: 0.298 local terms energy: -325.118669 where: bonds (distance) C4'-P energy: -47.176 bonds (distance) P-C4' energy: -63.482 flat angles C4'-P-C4' energy: -74.595 flat angles P-C4'-P energy: -38.899 tors. eta vs tors. theta energy: -100.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1179.363330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.363330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.363330 (E_RNA) where: Base-Base interactions energy: -828.952 where: short stacking energy: -323.795 Base-Backbone interact. energy: 0.076 local terms energy: -350.487535 where: bonds (distance) C4'-P energy: -66.715 bonds (distance) P-C4' energy: -65.349 flat angles C4'-P-C4' energy: -74.206 flat angles P-C4'-P energy: -45.957 tors. eta vs tors. theta energy: -98.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -1074.786638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.786638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.786638 (E_RNA) where: Base-Base interactions energy: -740.028 where: short stacking energy: -305.421 Base-Backbone interact. energy: -0.673 local terms energy: -334.085450 where: bonds (distance) C4'-P energy: -56.640 bonds (distance) P-C4' energy: -66.186 flat angles C4'-P-C4' energy: -75.932 flat angles P-C4'-P energy: -49.035 tors. eta vs tors. theta energy: -86.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1687.430193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.430193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.430193 (E_RNA) where: Base-Base interactions energy: -1229.899 where: short stacking energy: -484.557 Base-Backbone interact. energy: -0.294 local terms energy: -457.237600 where: bonds (distance) C4'-P energy: -67.060 bonds (distance) P-C4' energy: -72.280 flat angles C4'-P-C4' energy: -95.180 flat angles P-C4'-P energy: -73.237 tors. eta vs tors. theta energy: -149.480 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: 9 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1614.101371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.101371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.101371 (E_RNA) where: Base-Base interactions energy: -1200.465 where: short stacking energy: -451.186 Base-Backbone interact. energy: -0.919 local terms energy: -412.717671 where: bonds (distance) C4'-P energy: -72.287 bonds (distance) P-C4' energy: -58.493 flat angles C4'-P-C4' energy: -95.287 flat angles P-C4'-P energy: -59.920 tors. eta vs tors. theta energy: -126.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1542.167982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.167982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.167982 (E_RNA) where: Base-Base interactions energy: -1126.881 where: short stacking energy: -432.526 Base-Backbone interact. energy: -1.305 local terms energy: -413.981560 where: bonds (distance) C4'-P energy: -64.808 bonds (distance) P-C4' energy: -77.297 flat angles C4'-P-C4' energy: -83.652 flat angles P-C4'-P energy: -57.986 tors. eta vs tors. theta energy: -130.238 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: 1 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1456.315634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.315634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.315634 (E_RNA) where: Base-Base interactions energy: -1065.100 where: short stacking energy: -412.572 Base-Backbone interact. energy: -1.419 local terms energy: -389.795855 where: bonds (distance) C4'-P energy: -66.362 bonds (distance) P-C4' energy: -73.723 flat angles C4'-P-C4' energy: -77.935 flat angles P-C4'-P energy: -50.917 tors. eta vs tors. theta energy: -120.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1411.787868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.787868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.787868 (E_RNA) where: Base-Base interactions energy: -1045.661 where: short stacking energy: -397.173 Base-Backbone interact. energy: -3.248 local terms energy: -362.878709 where: bonds (distance) C4'-P energy: -67.377 bonds (distance) P-C4' energy: -63.585 flat angles C4'-P-C4' energy: -73.519 flat angles P-C4'-P energy: -51.260 tors. eta vs tors. theta energy: -107.137 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: 4 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1402.278093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.278093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.278093 (E_RNA) where: Base-Base interactions energy: -1028.665 where: short stacking energy: -394.807 Base-Backbone interact. energy: -0.952 local terms energy: -372.660398 where: bonds (distance) C4'-P energy: -76.982 bonds (distance) P-C4' energy: -72.751 flat angles C4'-P-C4' energy: -65.197 flat angles P-C4'-P energy: -42.788 tors. eta vs tors. theta energy: -114.943 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: 7 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1301.064922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.064922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.064922 (E_RNA) where: Base-Base interactions energy: -939.896 where: short stacking energy: -360.200 Base-Backbone interact. energy: -0.418 local terms energy: -360.750884 where: bonds (distance) C4'-P energy: -70.805 bonds (distance) P-C4' energy: -60.862 flat angles C4'-P-C4' energy: -68.991 flat angles P-C4'-P energy: -54.208 tors. eta vs tors. theta energy: -105.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1261.336941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.336941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.336941 (E_RNA) where: Base-Base interactions energy: -916.829 where: short stacking energy: -353.606 Base-Backbone interact. energy: -2.361 local terms energy: -342.146562 where: bonds (distance) C4'-P energy: -49.235 bonds (distance) P-C4' energy: -60.775 flat angles C4'-P-C4' energy: -80.783 flat angles P-C4'-P energy: -47.067 tors. eta vs tors. theta energy: -104.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1167.671989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.671989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.671989 (E_RNA) where: Base-Base interactions energy: -814.625 where: short stacking energy: -324.699 Base-Backbone interact. energy: 1.408 local terms energy: -354.455512 where: bonds (distance) C4'-P energy: -60.564 bonds (distance) P-C4' energy: -65.259 flat angles C4'-P-C4' energy: -76.891 flat angles P-C4'-P energy: -58.941 tors. eta vs tors. theta energy: -92.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1046.525626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.525626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.525626 (E_RNA) where: Base-Base interactions energy: -725.576 where: short stacking energy: -300.361 Base-Backbone interact. energy: 1.031 local terms energy: -321.981204 where: bonds (distance) C4'-P energy: -50.263 bonds (distance) P-C4' energy: -67.771 flat angles C4'-P-C4' energy: -76.194 flat angles P-C4'-P energy: -53.013 tors. eta vs tors. theta energy: -74.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1686.254317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.254317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.254317 (E_RNA) where: Base-Base interactions energy: -1228.674 where: short stacking energy: -481.431 Base-Backbone interact. energy: -0.022 local terms energy: -457.558083 where: bonds (distance) C4'-P energy: -75.272 bonds (distance) P-C4' energy: -68.104 flat angles C4'-P-C4' energy: -94.918 flat angles P-C4'-P energy: -73.036 tors. eta vs tors. theta energy: -146.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1596.864540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.864540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.864540 (E_RNA) where: Base-Base interactions energy: -1183.016 where: short stacking energy: -452.122 Base-Backbone interact. energy: -0.952 local terms energy: -412.896629 where: bonds (distance) C4'-P energy: -66.945 bonds (distance) P-C4' energy: -73.263 flat angles C4'-P-C4' energy: -92.726 flat angles P-C4'-P energy: -55.240 tors. eta vs tors. theta energy: -124.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1545.089057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.089057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.089057 (E_RNA) where: Base-Base interactions energy: -1118.649 where: short stacking energy: -449.558 Base-Backbone interact. energy: -2.685 local terms energy: -423.755277 where: bonds (distance) C4'-P energy: -80.417 bonds (distance) P-C4' energy: -57.138 flat angles C4'-P-C4' energy: -89.629 flat angles P-C4'-P energy: -63.539 tors. eta vs tors. theta energy: -133.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1439.290056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.290056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.290056 (E_RNA) where: Base-Base interactions energy: -1039.912 where: short stacking energy: -406.514 Base-Backbone interact. energy: 0.518 local terms energy: -399.895661 where: bonds (distance) C4'-P energy: -68.192 bonds (distance) P-C4' energy: -68.285 flat angles C4'-P-C4' energy: -79.817 flat angles P-C4'-P energy: -59.113 tors. eta vs tors. theta energy: -124.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1432.165907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.165907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.165907 (E_RNA) where: Base-Base interactions energy: -1041.455 where: short stacking energy: -396.972 Base-Backbone interact. energy: -0.191 local terms energy: -390.520038 where: bonds (distance) C4'-P energy: -61.095 bonds (distance) P-C4' energy: -72.717 flat angles C4'-P-C4' energy: -84.875 flat angles P-C4'-P energy: -60.426 tors. eta vs tors. theta energy: -111.407 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: 6, replica: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1424.826405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.826405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.826405 (E_RNA) where: Base-Base interactions energy: -1051.537 where: short stacking energy: -392.256 Base-Backbone interact. energy: 0.674 local terms energy: -373.962771 where: bonds (distance) C4'-P energy: -71.766 bonds (distance) P-C4' energy: -65.973 flat angles C4'-P-C4' energy: -67.654 flat angles P-C4'-P energy: -56.623 tors. eta vs tors. theta energy: -111.947 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: 7, replica: 7 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1341.731303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.731303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.731303 (E_RNA) where: Base-Base interactions energy: -983.292 where: short stacking energy: -375.113 Base-Backbone interact. energy: -0.998 local terms energy: -357.441319 where: bonds (distance) C4'-P energy: -53.718 bonds (distance) P-C4' energy: -59.240 flat angles C4'-P-C4' energy: -81.282 flat angles P-C4'-P energy: -52.313 tors. eta vs tors. theta energy: -110.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1230.657862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.657862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.657862 (E_RNA) where: Base-Base interactions energy: -884.545 where: short stacking energy: -324.423 Base-Backbone interact. energy: 1.688 local terms energy: -347.800518 where: bonds (distance) C4'-P energy: -70.538 bonds (distance) P-C4' energy: -69.534 flat angles C4'-P-C4' energy: -67.897 flat angles P-C4'-P energy: -43.202 tors. eta vs tors. theta energy: -96.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1216.405202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.405202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.405202 (E_RNA) where: Base-Base interactions energy: -872.564 where: short stacking energy: -343.979 Base-Backbone interact. energy: 3.197 local terms energy: -347.038063 where: bonds (distance) C4'-P energy: -63.618 bonds (distance) P-C4' energy: -60.032 flat angles C4'-P-C4' energy: -73.903 flat angles P-C4'-P energy: -43.353 tors. eta vs tors. theta energy: -106.132 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: 10, replica: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -1053.775902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.775902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.775902 (E_RNA) where: Base-Base interactions energy: -750.351 where: short stacking energy: -301.912 Base-Backbone interact. energy: 1.119 local terms energy: -304.544276 where: bonds (distance) C4'-P energy: -61.984 bonds (distance) P-C4' energy: -56.762 flat angles C4'-P-C4' energy: -56.942 flat angles P-C4'-P energy: -50.611 tors. eta vs tors. theta energy: -78.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1683.783260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.783260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.783260 (E_RNA) where: Base-Base interactions energy: -1242.259 where: short stacking energy: -493.585 Base-Backbone interact. energy: -0.061 local terms energy: -441.463135 where: bonds (distance) C4'-P energy: -72.599 bonds (distance) P-C4' energy: -79.601 flat angles C4'-P-C4' energy: -89.029 flat angles P-C4'-P energy: -54.853 tors. eta vs tors. theta energy: -145.381 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: 9 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1601.637230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.637230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.637230 (E_RNA) where: Base-Base interactions energy: -1173.157 where: short stacking energy: -449.874 Base-Backbone interact. energy: 1.074 local terms energy: -429.554717 where: bonds (distance) C4'-P energy: -75.905 bonds (distance) P-C4' energy: -72.410 flat angles C4'-P-C4' energy: -92.282 flat angles P-C4'-P energy: -63.201 tors. eta vs tors. theta energy: -125.758 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: 10 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1556.748781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.748781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.748781 (E_RNA) where: Base-Base interactions energy: -1120.295 where: short stacking energy: -456.671 Base-Backbone interact. energy: -0.344 local terms energy: -436.109812 where: bonds (distance) C4'-P energy: -72.950 bonds (distance) P-C4' energy: -74.814 flat angles C4'-P-C4' energy: -89.137 flat angles P-C4'-P energy: -63.094 tors. eta vs tors. theta energy: -136.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1453.320241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.320241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.320241 (E_RNA) where: Base-Base interactions energy: -1065.555 where: short stacking energy: -413.122 Base-Backbone interact. energy: -0.711 local terms energy: -387.054221 where: bonds (distance) C4'-P energy: -65.870 bonds (distance) P-C4' energy: -72.591 flat angles C4'-P-C4' energy: -77.104 flat angles P-C4'-P energy: -53.706 tors. eta vs tors. theta energy: -117.784 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: 171 Temperature: 1.100000 Total energy: -1421.225504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.225504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.225504 (E_RNA) where: Base-Base interactions energy: -1052.938 where: short stacking energy: -401.347 Base-Backbone interact. energy: 0.764 local terms energy: -369.051460 where: bonds (distance) C4'-P energy: -69.176 bonds (distance) P-C4' energy: -66.011 flat angles C4'-P-C4' energy: -71.264 flat angles P-C4'-P energy: -55.092 tors. eta vs tors. theta energy: -107.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1417.079712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.079712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.079712 (E_RNA) where: Base-Base interactions energy: -1018.365 where: short stacking energy: -390.878 Base-Backbone interact. energy: -0.644 local terms energy: -398.071084 where: bonds (distance) C4'-P energy: -76.886 bonds (distance) P-C4' energy: -64.948 flat angles C4'-P-C4' energy: -84.935 flat angles P-C4'-P energy: -60.962 tors. eta vs tors. theta energy: -110.341 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: 7 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1313.509136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.509136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.509136 (E_RNA) where: Base-Base interactions energy: -960.229 where: short stacking energy: -356.714 Base-Backbone interact. energy: 0.047 local terms energy: -353.327914 where: bonds (distance) C4'-P energy: -68.610 bonds (distance) P-C4' energy: -64.402 flat angles C4'-P-C4' energy: -71.237 flat angles P-C4'-P energy: -47.541 tors. eta vs tors. theta energy: -101.539 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: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1225.328469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.328469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.328469 (E_RNA) where: Base-Base interactions energy: -878.901 where: short stacking energy: -334.985 Base-Backbone interact. energy: -0.596 local terms energy: -345.831967 where: bonds (distance) C4'-P energy: -59.258 bonds (distance) P-C4' energy: -58.886 flat angles C4'-P-C4' energy: -73.962 flat angles P-C4'-P energy: -55.623 tors. eta vs tors. theta energy: -98.103 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: 3 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1209.836140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.836140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.836140 (E_RNA) where: Base-Base interactions energy: -869.872 where: short stacking energy: -333.170 Base-Backbone interact. energy: -0.499 local terms energy: -339.465720 where: bonds (distance) C4'-P energy: -58.461 bonds (distance) P-C4' energy: -61.295 flat angles C4'-P-C4' energy: -77.823 flat angles P-C4'-P energy: -53.997 tors. eta vs tors. theta energy: -87.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1125.174808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.174808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.174808 (E_RNA) where: Base-Base interactions energy: -780.532 where: short stacking energy: -302.608 Base-Backbone interact. energy: 3.216 local terms energy: -347.859165 where: bonds (distance) C4'-P energy: -64.142 bonds (distance) P-C4' energy: -63.199 flat angles C4'-P-C4' energy: -70.944 flat angles P-C4'-P energy: -51.503 tors. eta vs tors. theta energy: -98.071 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: 5 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1697.517723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.517723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.517723 (E_RNA) where: Base-Base interactions energy: -1240.877 where: short stacking energy: -494.779 Base-Backbone interact. energy: -0.126 local terms energy: -456.514822 where: bonds (distance) C4'-P energy: -72.049 bonds (distance) P-C4' energy: -76.333 flat angles C4'-P-C4' energy: -93.661 flat angles P-C4'-P energy: -68.615 tors. eta vs tors. theta energy: -145.856 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: 9 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1598.596989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.596989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.596989 (E_RNA) where: Base-Base interactions energy: -1166.169 where: short stacking energy: -441.213 Base-Backbone interact. energy: -0.609 local terms energy: -431.819979 where: bonds (distance) C4'-P energy: -80.249 bonds (distance) P-C4' energy: -76.553 flat angles C4'-P-C4' energy: -88.194 flat angles P-C4'-P energy: -59.857 tors. eta vs tors. theta energy: -126.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1537.055141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.055141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.055141 (E_RNA) where: Base-Base interactions energy: -1103.514 where: short stacking energy: -434.881 Base-Backbone interact. energy: -1.313 local terms energy: -432.228460 where: bonds (distance) C4'-P energy: -73.132 bonds (distance) P-C4' energy: -72.198 flat angles C4'-P-C4' energy: -95.693 flat angles P-C4'-P energy: -63.798 tors. eta vs tors. theta energy: -127.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1451.778577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.778577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.778577 (E_RNA) where: Base-Base interactions energy: -1040.891 where: short stacking energy: -408.254 Base-Backbone interact. energy: -2.517 local terms energy: -408.370956 where: bonds (distance) C4'-P energy: -71.090 bonds (distance) P-C4' energy: -65.286 flat angles C4'-P-C4' energy: -92.277 flat angles P-C4'-P energy: -61.621 tors. eta vs tors. theta energy: -118.096 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: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1436.710293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.710293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.710293 (E_RNA) where: Base-Base interactions energy: -1034.137 where: short stacking energy: -392.192 Base-Backbone interact. energy: -0.558 local terms energy: -402.015325 where: bonds (distance) C4'-P energy: -65.924 bonds (distance) P-C4' energy: -79.118 flat angles C4'-P-C4' energy: -79.782 flat angles P-C4'-P energy: -64.209 tors. eta vs tors. theta energy: -112.982 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: 172 Temperature: 1.150000 Total energy: -1398.142459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.142459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.142459 (E_RNA) where: Base-Base interactions energy: -1006.086 where: short stacking energy: -372.845 Base-Backbone interact. energy: -1.060 local terms energy: -390.996291 where: bonds (distance) C4'-P energy: -69.864 bonds (distance) P-C4' energy: -75.992 flat angles C4'-P-C4' energy: -79.539 flat angles P-C4'-P energy: -58.097 tors. eta vs tors. theta energy: -107.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1331.581800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.581800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.581800 (E_RNA) where: Base-Base interactions energy: -975.450 where: short stacking energy: -381.950 Base-Backbone interact. energy: -0.730 local terms energy: -355.402396 where: bonds (distance) C4'-P energy: -51.747 bonds (distance) P-C4' energy: -51.090 flat angles C4'-P-C4' energy: -73.407 flat angles P-C4'-P energy: -64.908 tors. eta vs tors. theta energy: -114.249 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: 8, replica: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1251.923794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.923794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.923794 (E_RNA) where: Base-Base interactions energy: -887.821 where: short stacking energy: -367.882 Base-Backbone interact. energy: -1.154 local terms energy: -362.949234 where: bonds (distance) C4'-P energy: -62.686 bonds (distance) P-C4' energy: -61.293 flat angles C4'-P-C4' energy: -80.892 flat angles P-C4'-P energy: -46.913 tors. eta vs tors. theta energy: -111.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1129.722303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.722303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.722303 (E_RNA) where: Base-Base interactions energy: -804.268 where: short stacking energy: -324.082 Base-Backbone interact. energy: -2.441 local terms energy: -323.014018 where: bonds (distance) C4'-P energy: -62.062 bonds (distance) P-C4' energy: -59.975 flat angles C4'-P-C4' energy: -69.172 flat angles P-C4'-P energy: -43.526 tors. eta vs tors. theta energy: -88.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1123.726884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.726884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.726884 (E_RNA) where: Base-Base interactions energy: -808.192 where: short stacking energy: -305.576 Base-Backbone interact. energy: -0.075 local terms energy: -315.459559 where: bonds (distance) C4'-P energy: -62.739 bonds (distance) P-C4' energy: -48.401 flat angles C4'-P-C4' energy: -69.857 flat angles P-C4'-P energy: -53.647 tors. eta vs tors. theta energy: -80.815 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: 1, replica: 5 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1682.092864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.092864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.092864 (E_RNA) where: Base-Base interactions energy: -1225.804 where: short stacking energy: -476.353 Base-Backbone interact. energy: -0.207 local terms energy: -456.081969 where: bonds (distance) C4'-P energy: -79.517 bonds (distance) P-C4' energy: -67.929 flat angles C4'-P-C4' energy: -95.076 flat angles P-C4'-P energy: -68.026 tors. eta vs tors. theta energy: -145.534 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: 9 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1609.122544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.122544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.122544 (E_RNA) where: Base-Base interactions energy: -1193.534 where: short stacking energy: -452.186 Base-Backbone interact. energy: -0.450 local terms energy: -415.138778 where: bonds (distance) C4'-P energy: -73.742 bonds (distance) P-C4' energy: -79.288 flat angles C4'-P-C4' energy: -80.209 flat angles P-C4'-P energy: -54.521 tors. eta vs tors. theta energy: -127.378 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: 3, replica: 10 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1568.582160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.582160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.582160 (E_RNA) where: Base-Base interactions energy: -1131.189 where: short stacking energy: -450.806 Base-Backbone interact. energy: -0.269 local terms energy: -437.124500 where: bonds (distance) C4'-P energy: -76.292 bonds (distance) P-C4' energy: -76.694 flat angles C4'-P-C4' energy: -91.093 flat angles P-C4'-P energy: -56.092 tors. eta vs tors. theta energy: -136.953 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: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1459.166063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.166063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.166063 (E_RNA) where: Base-Base interactions energy: -1052.338 where: short stacking energy: -406.177 Base-Backbone interact. energy: -0.305 local terms energy: -406.522287 where: bonds (distance) C4'-P energy: -70.227 bonds (distance) P-C4' energy: -68.317 flat angles C4'-P-C4' energy: -83.827 flat angles P-C4'-P energy: -57.379 tors. eta vs tors. theta energy: -126.772 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: 1 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1435.747789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.747789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.747789 (E_RNA) where: Base-Base interactions energy: -1054.396 where: short stacking energy: -404.840 Base-Backbone interact. energy: -0.588 local terms energy: -380.763936 where: bonds (distance) C4'-P energy: -55.963 bonds (distance) P-C4' energy: -67.395 flat angles C4'-P-C4' energy: -81.417 flat angles P-C4'-P energy: -59.892 tors. eta vs tors. theta energy: -116.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1348.610299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.610299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.610299 (E_RNA) where: Base-Base interactions energy: -986.370 where: short stacking energy: -384.239 Base-Backbone interact. energy: -0.127 local terms energy: -362.112595 where: bonds (distance) C4'-P energy: -52.060 bonds (distance) P-C4' energy: -69.312 flat angles C4'-P-C4' energy: -82.257 flat angles P-C4'-P energy: -43.316 tors. eta vs tors. theta energy: -115.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1357.725148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.725148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.725148 (E_RNA) where: Base-Base interactions energy: -1013.820 where: short stacking energy: -381.993 Base-Backbone interact. energy: 1.553 local terms energy: -345.459126 where: bonds (distance) C4'-P energy: -61.742 bonds (distance) P-C4' energy: -55.833 flat angles C4'-P-C4' energy: -73.045 flat angles P-C4'-P energy: -49.449 tors. eta vs tors. theta energy: -105.390 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: 8 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1141.364030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.364030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.364030 (E_RNA) where: Base-Base interactions energy: -804.849 where: short stacking energy: -315.986 Base-Backbone interact. energy: -0.863 local terms energy: -335.652213 where: bonds (distance) C4'-P energy: -63.932 bonds (distance) P-C4' energy: -57.666 flat angles C4'-P-C4' energy: -74.365 flat angles P-C4'-P energy: -48.533 tors. eta vs tors. theta energy: -91.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1171.087258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.087258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.087258 (E_RNA) where: Base-Base interactions energy: -839.881 where: short stacking energy: -334.869 Base-Backbone interact. energy: 0.010 local terms energy: -331.215540 where: bonds (distance) C4'-P energy: -64.094 bonds (distance) P-C4' energy: -53.769 flat angles C4'-P-C4' energy: -76.688 flat angles P-C4'-P energy: -43.052 tors. eta vs tors. theta energy: -93.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1153.339391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.339391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.339391 (E_RNA) where: Base-Base interactions energy: -841.821 where: short stacking energy: -319.434 Base-Backbone interact. energy: -0.496 local terms energy: -311.022384 where: bonds (distance) C4'-P energy: -68.778 bonds (distance) P-C4' energy: -41.112 flat angles C4'-P-C4' energy: -68.935 flat angles P-C4'-P energy: -43.418 tors. eta vs tors. theta energy: -88.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1709.168723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.168723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.168723 (E_RNA) where: Base-Base interactions energy: -1244.986 where: short stacking energy: -493.200 Base-Backbone interact. energy: -0.101 local terms energy: -464.081760 where: bonds (distance) C4'-P energy: -80.130 bonds (distance) P-C4' energy: -74.285 flat angles C4'-P-C4' energy: -95.804 flat angles P-C4'-P energy: -67.215 tors. eta vs tors. theta energy: -146.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1624.613028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.613028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.613028 (E_RNA) where: Base-Base interactions energy: -1186.117 where: short stacking energy: -445.353 Base-Backbone interact. energy: -2.222 local terms energy: -436.273180 where: bonds (distance) C4'-P energy: -79.364 bonds (distance) P-C4' energy: -80.663 flat angles C4'-P-C4' energy: -91.193 flat angles P-C4'-P energy: -59.300 tors. eta vs tors. theta energy: -125.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1552.783088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.783088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.783088 (E_RNA) where: Base-Base interactions energy: -1107.131 where: short stacking energy: -450.915 Base-Backbone interact. energy: -0.713 local terms energy: -444.938818 where: bonds (distance) C4'-P energy: -78.367 bonds (distance) P-C4' energy: -76.647 flat angles C4'-P-C4' energy: -86.776 flat angles P-C4'-P energy: -67.050 tors. eta vs tors. theta energy: -136.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1455.714296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.714296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.714296 (E_RNA) where: Base-Base interactions energy: -1074.142 where: short stacking energy: -421.110 Base-Backbone interact. energy: 0.595 local terms energy: -382.166971 where: bonds (distance) C4'-P energy: -63.778 bonds (distance) P-C4' energy: -67.488 flat angles C4'-P-C4' energy: -75.885 flat angles P-C4'-P energy: -46.081 tors. eta vs tors. theta energy: -128.936 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: 1 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1433.012647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.012647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.012647 (E_RNA) where: Base-Base interactions energy: -1041.056 where: short stacking energy: -392.212 Base-Backbone interact. energy: -2.090 local terms energy: -389.866580 where: bonds (distance) C4'-P energy: -67.531 bonds (distance) P-C4' energy: -69.287 flat angles C4'-P-C4' energy: -81.819 flat angles P-C4'-P energy: -53.145 tors. eta vs tors. theta energy: -118.085 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: 7 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1330.768615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.768615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.768615 (E_RNA) where: Base-Base interactions energy: -939.563 where: short stacking energy: -369.817 Base-Backbone interact. energy: 1.830 local terms energy: -393.035508 where: bonds (distance) C4'-P energy: -61.449 bonds (distance) P-C4' energy: -76.027 flat angles C4'-P-C4' energy: -94.722 flat angles P-C4'-P energy: -53.425 tors. eta vs tors. theta energy: -107.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1366.768980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.768980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.768980 (E_RNA) where: Base-Base interactions energy: -995.346 where: short stacking energy: -371.137 Base-Backbone interact. energy: -2.470 local terms energy: -368.952995 where: bonds (distance) C4'-P energy: -65.879 bonds (distance) P-C4' energy: -71.401 flat angles C4'-P-C4' energy: -68.232 flat angles P-C4'-P energy: -56.514 tors. eta vs tors. theta energy: -106.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1123.903074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.903074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.903074 (E_RNA) where: Base-Base interactions energy: -777.337 where: short stacking energy: -305.947 Base-Backbone interact. energy: -0.470 local terms energy: -346.095600 where: bonds (distance) C4'-P energy: -68.356 bonds (distance) P-C4' energy: -72.358 flat angles C4'-P-C4' energy: -69.281 flat angles P-C4'-P energy: -53.123 tors. eta vs tors. theta energy: -82.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1133.466108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.466108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.466108 (E_RNA) where: Base-Base interactions energy: -793.214 where: short stacking energy: -312.962 Base-Backbone interact. energy: -0.724 local terms energy: -339.527885 where: bonds (distance) C4'-P energy: -65.280 bonds (distance) P-C4' energy: -75.179 flat angles C4'-P-C4' energy: -72.725 flat angles P-C4'-P energy: -43.702 tors. eta vs tors. theta energy: -82.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -1181.354216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.354216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.354216 (E_RNA) where: Base-Base interactions energy: -847.636 where: short stacking energy: -332.151 Base-Backbone interact. energy: -0.551 local terms energy: -333.167573 where: bonds (distance) C4'-P energy: -64.320 bonds (distance) P-C4' energy: -66.496 flat angles C4'-P-C4' energy: -66.877 flat angles P-C4'-P energy: -47.880 tors. eta vs tors. theta energy: -87.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1668.487666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.487666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.487666 (E_RNA) where: Base-Base interactions energy: -1214.445 where: short stacking energy: -481.630 Base-Backbone interact. energy: -0.385 local terms energy: -453.658159 where: bonds (distance) C4'-P energy: -80.347 bonds (distance) P-C4' energy: -67.783 flat angles C4'-P-C4' energy: -97.562 flat angles P-C4'-P energy: -64.619 tors. eta vs tors. theta energy: -143.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1596.092581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.092581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.092581 (E_RNA) where: Base-Base interactions energy: -1174.842 where: short stacking energy: -446.430 Base-Backbone interact. energy: 0.814 local terms energy: -422.064328 where: bonds (distance) C4'-P energy: -77.439 bonds (distance) P-C4' energy: -74.617 flat angles C4'-P-C4' energy: -85.955 flat angles P-C4'-P energy: -59.934 tors. eta vs tors. theta energy: -124.119 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: 3, replica: 10 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1542.180704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.180704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.180704 (E_RNA) where: Base-Base interactions energy: -1099.682 where: short stacking energy: -448.192 Base-Backbone interact. energy: -0.437 local terms energy: -442.061727 where: bonds (distance) C4'-P energy: -81.765 bonds (distance) P-C4' energy: -73.095 flat angles C4'-P-C4' energy: -87.856 flat angles P-C4'-P energy: -61.241 tors. eta vs tors. theta energy: -138.105 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: 1 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1466.987381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.987381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.987381 (E_RNA) where: Base-Base interactions energy: -1080.443 where: short stacking energy: -424.676 Base-Backbone interact. energy: -0.139 local terms energy: -386.405340 where: bonds (distance) C4'-P energy: -72.375 bonds (distance) P-C4' energy: -61.013 flat angles C4'-P-C4' energy: -79.204 flat angles P-C4'-P energy: -56.812 tors. eta vs tors. theta energy: -117.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1442.990007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.990007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.990007 (E_RNA) where: Base-Base interactions energy: -1057.909 where: short stacking energy: -412.154 Base-Backbone interact. energy: 1.206 local terms energy: -386.287286 where: bonds (distance) C4'-P energy: -70.578 bonds (distance) P-C4' energy: -61.543 flat angles C4'-P-C4' energy: -82.893 flat angles P-C4'-P energy: -51.916 tors. eta vs tors. theta energy: -119.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1408.752526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.752526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.752526 (E_RNA) where: Base-Base interactions energy: -1034.758 where: short stacking energy: -391.858 Base-Backbone interact. energy: 0.699 local terms energy: -374.693085 where: bonds (distance) C4'-P energy: -69.833 bonds (distance) P-C4' energy: -68.135 flat angles C4'-P-C4' energy: -76.062 flat angles P-C4'-P energy: -49.602 tors. eta vs tors. theta energy: -111.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1313.106054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.106054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.106054 (E_RNA) where: Base-Base interactions energy: -962.155 where: short stacking energy: -376.494 Base-Backbone interact. energy: -0.488 local terms energy: -350.462819 where: bonds (distance) C4'-P energy: -59.034 bonds (distance) P-C4' energy: -58.707 flat angles C4'-P-C4' energy: -74.218 flat angles P-C4'-P energy: -49.138 tors. eta vs tors. theta energy: -109.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1108.805244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.805244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.805244 (E_RNA) where: Base-Base interactions energy: -764.212 where: short stacking energy: -330.202 Base-Backbone interact. energy: -1.971 local terms energy: -342.621950 where: bonds (distance) C4'-P energy: -55.699 bonds (distance) P-C4' energy: -73.549 flat angles C4'-P-C4' energy: -82.806 flat angles P-C4'-P energy: -43.692 tors. eta vs tors. theta energy: -86.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1161.186682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.186682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.186682 (E_RNA) where: Base-Base interactions energy: -840.710 where: short stacking energy: -319.382 Base-Backbone interact. energy: 1.286 local terms energy: -321.763003 where: bonds (distance) C4'-P energy: -69.621 bonds (distance) P-C4' energy: -52.902 flat angles C4'-P-C4' energy: -70.685 flat angles P-C4'-P energy: -38.847 tors. eta vs tors. theta energy: -89.707 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: 2 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -1132.713563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.713563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.713563 (E_RNA) where: Base-Base interactions energy: -809.736 where: short stacking energy: -317.269 Base-Backbone interact. energy: -1.145 local terms energy: -321.832072 where: bonds (distance) C4'-P energy: -59.982 bonds (distance) P-C4' energy: -64.738 flat angles C4'-P-C4' energy: -64.439 flat angles P-C4'-P energy: -46.001 tors. eta vs tors. theta energy: -86.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1689.944034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.944034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.944034 (E_RNA) where: Base-Base interactions energy: -1227.356 where: short stacking energy: -489.619 Base-Backbone interact. energy: -0.351 local terms energy: -462.237428 where: bonds (distance) C4'-P energy: -78.499 bonds (distance) P-C4' energy: -78.237 flat angles C4'-P-C4' energy: -89.066 flat angles P-C4'-P energy: -70.358 tors. eta vs tors. theta energy: -146.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1584.155296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.155296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.155296 (E_RNA) where: Base-Base interactions energy: -1167.561 where: short stacking energy: -431.614 Base-Backbone interact. energy: -0.505 local terms energy: -416.089054 where: bonds (distance) C4'-P energy: -77.266 bonds (distance) P-C4' energy: -73.419 flat angles C4'-P-C4' energy: -85.618 flat angles P-C4'-P energy: -53.018 tors. eta vs tors. theta energy: -126.770 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: 3, replica: 10 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1545.094021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.094021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.094021 (E_RNA) where: Base-Base interactions energy: -1115.909 where: short stacking energy: -446.524 Base-Backbone interact. energy: -1.949 local terms energy: -427.235210 where: bonds (distance) C4'-P energy: -76.910 bonds (distance) P-C4' energy: -63.382 flat angles C4'-P-C4' energy: -90.654 flat angles P-C4'-P energy: -61.963 tors. eta vs tors. theta energy: -134.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1459.485000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.485000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.485000 (E_RNA) where: Base-Base interactions energy: -1038.320 where: short stacking energy: -423.487 Base-Backbone interact. energy: -0.906 local terms energy: -420.259720 where: bonds (distance) C4'-P energy: -70.533 bonds (distance) P-C4' energy: -69.687 flat angles C4'-P-C4' energy: -90.260 flat angles P-C4'-P energy: -65.256 tors. eta vs tors. theta energy: -124.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1448.694046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.694046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.694046 (E_RNA) where: Base-Base interactions energy: -1044.078 where: short stacking energy: -404.257 Base-Backbone interact. energy: -0.683 local terms energy: -403.933640 where: bonds (distance) C4'-P energy: -64.849 bonds (distance) P-C4' energy: -80.662 flat angles C4'-P-C4' energy: -79.697 flat angles P-C4'-P energy: -61.265 tors. eta vs tors. theta energy: -117.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1419.398075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.398075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.398075 (E_RNA) where: Base-Base interactions energy: -1026.991 where: short stacking energy: -389.394 Base-Backbone interact. energy: -0.531 local terms energy: -391.875464 where: bonds (distance) C4'-P energy: -73.850 bonds (distance) P-C4' energy: -61.033 flat angles C4'-P-C4' energy: -89.384 flat angles P-C4'-P energy: -49.865 tors. eta vs tors. theta energy: -117.742 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: 8 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1177.739019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.739019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.739019 (E_RNA) where: Base-Base interactions energy: -829.109 where: short stacking energy: -348.397 Base-Backbone interact. energy: -1.161 local terms energy: -347.468540 where: bonds (distance) C4'-P energy: -70.216 bonds (distance) P-C4' energy: -59.726 flat angles C4'-P-C4' energy: -72.386 flat angles P-C4'-P energy: -51.145 tors. eta vs tors. theta energy: -93.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1284.262927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.262927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.262927 (E_RNA) where: Base-Base interactions energy: -923.527 where: short stacking energy: -355.546 Base-Backbone interact. energy: 0.693 local terms energy: -361.428431 where: bonds (distance) C4'-P energy: -68.689 bonds (distance) P-C4' energy: -56.424 flat angles C4'-P-C4' energy: -84.955 flat angles P-C4'-P energy: -52.435 tors. eta vs tors. theta energy: -98.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1226.013075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.013075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.013075 (E_RNA) where: Base-Base interactions energy: -881.008 where: short stacking energy: -340.102 Base-Backbone interact. energy: 1.340 local terms energy: -346.344678 where: bonds (distance) C4'-P energy: -74.036 bonds (distance) P-C4' energy: -61.057 flat angles C4'-P-C4' energy: -65.355 flat angles P-C4'-P energy: -54.026 tors. eta vs tors. theta energy: -91.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -1165.089470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.089470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.089470 (E_RNA) where: Base-Base interactions energy: -846.614 where: short stacking energy: -341.530 Base-Backbone interact. energy: 0.032 local terms energy: -318.507163 where: bonds (distance) C4'-P energy: -53.882 bonds (distance) P-C4' energy: -63.646 flat angles C4'-P-C4' energy: -65.168 flat angles P-C4'-P energy: -47.429 tors. eta vs tors. theta energy: -88.382 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: 1, replica: 5 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1702.272939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.272939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.272939 (E_RNA) where: Base-Base interactions energy: -1236.816 where: short stacking energy: -488.607 Base-Backbone interact. energy: -0.147 local terms energy: -465.310037 where: bonds (distance) C4'-P energy: -79.746 bonds (distance) P-C4' energy: -81.875 flat angles C4'-P-C4' energy: -92.054 flat angles P-C4'-P energy: -67.765 tors. eta vs tors. theta energy: -143.870 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: 9 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1578.458999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.458999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.458999 (E_RNA) where: Base-Base interactions energy: -1147.091 where: short stacking energy: -431.726 Base-Backbone interact. energy: 0.597 local terms energy: -431.964766 where: bonds (distance) C4'-P energy: -69.160 bonds (distance) P-C4' energy: -78.961 flat angles C4'-P-C4' energy: -97.564 flat angles P-C4'-P energy: -62.273 tors. eta vs tors. theta energy: -124.007 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: 10 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1550.074821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.074821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.074821 (E_RNA) where: Base-Base interactions energy: -1124.278 where: short stacking energy: -446.229 Base-Backbone interact. energy: -0.207 local terms energy: -425.589961 where: bonds (distance) C4'-P energy: -68.805 bonds (distance) P-C4' energy: -63.554 flat angles C4'-P-C4' energy: -93.527 flat angles P-C4'-P energy: -64.487 tors. eta vs tors. theta energy: -135.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1461.217630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.217630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.217630 (E_RNA) where: Base-Base interactions energy: -1083.586 where: short stacking energy: -423.197 Base-Backbone interact. energy: 0.020 local terms energy: -377.651601 where: bonds (distance) C4'-P energy: -62.589 bonds (distance) P-C4' energy: -72.203 flat angles C4'-P-C4' energy: -69.443 flat angles P-C4'-P energy: -53.372 tors. eta vs tors. theta energy: -120.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1447.847088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.847088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.847088 (E_RNA) where: Base-Base interactions energy: -1048.563 where: short stacking energy: -415.088 Base-Backbone interact. energy: 1.197 local terms energy: -400.481718 where: bonds (distance) C4'-P energy: -64.775 bonds (distance) P-C4' energy: -65.324 flat angles C4'-P-C4' energy: -81.135 flat angles P-C4'-P energy: -65.814 tors. eta vs tors. theta energy: -123.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1404.873950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.873950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.873950 (E_RNA) where: Base-Base interactions energy: -1043.254 where: short stacking energy: -391.618 Base-Backbone interact. energy: -1.633 local terms energy: -359.986871 where: bonds (distance) C4'-P energy: -59.064 bonds (distance) P-C4' energy: -70.970 flat angles C4'-P-C4' energy: -71.739 flat angles P-C4'-P energy: -50.720 tors. eta vs tors. theta energy: -107.494 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: 8 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1225.273200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.273200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.273200 (E_RNA) where: Base-Base interactions energy: -876.066 where: short stacking energy: -348.554 Base-Backbone interact. energy: -1.256 local terms energy: -347.951419 where: bonds (distance) C4'-P energy: -68.470 bonds (distance) P-C4' energy: -59.950 flat angles C4'-P-C4' energy: -72.978 flat angles P-C4'-P energy: -44.372 tors. eta vs tors. theta energy: -102.182 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: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1301.735389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.735389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.735389 (E_RNA) where: Base-Base interactions energy: -934.980 where: short stacking energy: -366.298 Base-Backbone interact. energy: -1.245 local terms energy: -365.509815 where: bonds (distance) C4'-P energy: -59.225 bonds (distance) P-C4' energy: -69.578 flat angles C4'-P-C4' energy: -76.321 flat angles P-C4'-P energy: -48.518 tors. eta vs tors. theta energy: -111.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1204.197089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.197089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.197089 (E_RNA) where: Base-Base interactions energy: -866.142 where: short stacking energy: -350.184 Base-Backbone interact. energy: 4.834 local terms energy: -342.889188 where: bonds (distance) C4'-P energy: -61.121 bonds (distance) P-C4' energy: -54.198 flat angles C4'-P-C4' energy: -80.976 flat angles P-C4'-P energy: -50.735 tors. eta vs tors. theta energy: -95.859 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: 2 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -1200.844434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.844434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.844434 (E_RNA) where: Base-Base interactions energy: -882.101 where: short stacking energy: -345.314 Base-Backbone interact. energy: -1.055 local terms energy: -317.688147 where: bonds (distance) C4'-P energy: -58.074 bonds (distance) P-C4' energy: -51.400 flat angles C4'-P-C4' energy: -69.809 flat angles P-C4'-P energy: -37.596 tors. eta vs tors. theta energy: -100.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1689.736293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.736293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.736293 (E_RNA) where: Base-Base interactions energy: -1223.296 where: short stacking energy: -477.610 Base-Backbone interact. energy: -0.009 local terms energy: -466.431012 where: bonds (distance) C4'-P energy: -74.656 bonds (distance) P-C4' energy: -77.913 flat angles C4'-P-C4' energy: -93.196 flat angles P-C4'-P energy: -75.307 tors. eta vs tors. theta energy: -145.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1582.981714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.981714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.981714 (E_RNA) where: Base-Base interactions energy: -1174.937 where: short stacking energy: -441.818 Base-Backbone interact. energy: 1.409 local terms energy: -409.454002 where: bonds (distance) C4'-P energy: -65.490 bonds (distance) P-C4' energy: -75.430 flat angles C4'-P-C4' energy: -88.559 flat angles P-C4'-P energy: -53.795 tors. eta vs tors. theta energy: -126.179 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: 10 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1563.653961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.653961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.653961 (E_RNA) where: Base-Base interactions energy: -1132.054 where: short stacking energy: -440.447 Base-Backbone interact. energy: 1.544 local terms energy: -433.144077 where: bonds (distance) C4'-P energy: -71.583 bonds (distance) P-C4' energy: -79.121 flat angles C4'-P-C4' energy: -89.306 flat angles P-C4'-P energy: -63.050 tors. eta vs tors. theta energy: -130.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1471.425494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.425494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.425494 (E_RNA) where: Base-Base interactions energy: -1072.288 where: short stacking energy: -428.334 Base-Backbone interact. energy: -0.600 local terms energy: -398.537116 where: bonds (distance) C4'-P energy: -68.218 bonds (distance) P-C4' energy: -68.458 flat angles C4'-P-C4' energy: -83.798 flat angles P-C4'-P energy: -50.224 tors. eta vs tors. theta energy: -127.838 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: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1424.703459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.703459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.703459 (E_RNA) where: Base-Base interactions energy: -1050.630 where: short stacking energy: -389.859 Base-Backbone interact. energy: -1.622 local terms energy: -372.451346 where: bonds (distance) C4'-P energy: -69.141 bonds (distance) P-C4' energy: -50.141 flat angles C4'-P-C4' energy: -81.211 flat angles P-C4'-P energy: -54.007 tors. eta vs tors. theta energy: -117.951 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: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1422.104458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.104458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.104458 (E_RNA) where: Base-Base interactions energy: -1027.846 where: short stacking energy: -408.619 Base-Backbone interact. energy: -1.269 local terms energy: -392.988890 where: bonds (distance) C4'-P energy: -64.034 bonds (distance) P-C4' energy: -63.882 flat angles C4'-P-C4' energy: -81.516 flat angles P-C4'-P energy: -58.942 tors. eta vs tors. theta energy: -124.615 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: 7, replica: 7 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1343.656939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.656939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.656939 (E_RNA) where: Base-Base interactions energy: -968.056 where: short stacking energy: -380.604 Base-Backbone interact. energy: 0.584 local terms energy: -376.184366 where: bonds (distance) C4'-P energy: -63.765 bonds (distance) P-C4' energy: -69.773 flat angles C4'-P-C4' energy: -73.301 flat angles P-C4'-P energy: -55.159 tors. eta vs tors. theta energy: -114.187 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: 8 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1162.929545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.929545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.929545 (E_RNA) where: Base-Base interactions energy: -833.063 where: short stacking energy: -340.523 Base-Backbone interact. energy: 0.883 local terms energy: -330.749863 where: bonds (distance) C4'-P energy: -57.337 bonds (distance) P-C4' energy: -49.328 flat angles C4'-P-C4' energy: -68.167 flat angles P-C4'-P energy: -52.087 tors. eta vs tors. theta energy: -103.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1227.466650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.466650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.466650 (E_RNA) where: Base-Base interactions energy: -865.086 where: short stacking energy: -336.933 Base-Backbone interact. energy: 0.306 local terms energy: -362.686627 where: bonds (distance) C4'-P energy: -59.455 bonds (distance) P-C4' energy: -74.710 flat angles C4'-P-C4' energy: -70.639 flat angles P-C4'-P energy: -65.186 tors. eta vs tors. theta energy: -92.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -1168.271203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.271203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.271203 (E_RNA) where: Base-Base interactions energy: -836.865 where: short stacking energy: -334.792 Base-Backbone interact. energy: -1.261 local terms energy: -330.145910 where: bonds (distance) C4'-P energy: -55.284 bonds (distance) P-C4' energy: -59.220 flat angles C4'-P-C4' energy: -71.922 flat angles P-C4'-P energy: -40.937 tors. eta vs tors. theta energy: -102.783 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: 5 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1690.287023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.287023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.287023 (E_RNA) where: Base-Base interactions energy: -1237.772 where: short stacking energy: -483.908 Base-Backbone interact. energy: 0.195 local terms energy: -452.710203 where: bonds (distance) C4'-P energy: -70.892 bonds (distance) P-C4' energy: -79.793 flat angles C4'-P-C4' energy: -94.492 flat angles P-C4'-P energy: -66.042 tors. eta vs tors. theta energy: -141.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1598.656351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.656351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.656351 (E_RNA) where: Base-Base interactions energy: -1180.017 where: short stacking energy: -437.042 Base-Backbone interact. energy: -1.304 local terms energy: -417.336133 where: bonds (distance) C4'-P energy: -66.445 bonds (distance) P-C4' energy: -75.804 flat angles C4'-P-C4' energy: -88.877 flat angles P-C4'-P energy: -56.713 tors. eta vs tors. theta energy: -129.498 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: 179 Temperature: 1.000000 Total energy: -1536.000881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.000881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.000881 (E_RNA) where: Base-Base interactions energy: -1120.621 where: short stacking energy: -431.450 Base-Backbone interact. energy: -0.718 local terms energy: -414.661368 where: bonds (distance) C4'-P energy: -68.441 bonds (distance) P-C4' energy: -74.174 flat angles C4'-P-C4' energy: -88.172 flat angles P-C4'-P energy: -55.685 tors. eta vs tors. theta energy: -128.188 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: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1459.797708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.797708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.797708 (E_RNA) where: Base-Base interactions energy: -1064.446 where: short stacking energy: -420.123 Base-Backbone interact. energy: 2.677 local terms energy: -398.028291 where: bonds (distance) C4'-P energy: -80.791 bonds (distance) P-C4' energy: -58.899 flat angles C4'-P-C4' energy: -77.226 flat angles P-C4'-P energy: -59.174 tors. eta vs tors. theta energy: -121.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1445.215107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.215107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.215107 (E_RNA) where: Base-Base interactions energy: -1053.411 where: short stacking energy: -410.180 Base-Backbone interact. energy: -0.524 local terms energy: -391.279483 where: bonds (distance) C4'-P energy: -75.871 bonds (distance) P-C4' energy: -60.904 flat angles C4'-P-C4' energy: -75.899 flat angles P-C4'-P energy: -57.892 tors. eta vs tors. theta energy: -120.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1391.615549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.615549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.615549 (E_RNA) where: Base-Base interactions energy: -1007.884 where: short stacking energy: -384.829 Base-Backbone interact. energy: -0.767 local terms energy: -382.964643 where: bonds (distance) C4'-P energy: -59.058 bonds (distance) P-C4' energy: -63.637 flat angles C4'-P-C4' energy: -82.880 flat angles P-C4'-P energy: -60.277 tors. eta vs tors. theta energy: -117.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1335.981479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.981479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.981479 (E_RNA) where: Base-Base interactions energy: -956.943 where: short stacking energy: -371.066 Base-Backbone interact. energy: -0.835 local terms energy: -378.202663 where: bonds (distance) C4'-P energy: -73.682 bonds (distance) P-C4' energy: -65.133 flat angles C4'-P-C4' energy: -83.259 flat angles P-C4'-P energy: -39.935 tors. eta vs tors. theta energy: -116.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1247.745220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.745220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.745220 (E_RNA) where: Base-Base interactions energy: -898.680 where: short stacking energy: -352.182 Base-Backbone interact. energy: -1.095 local terms energy: -347.970673 where: bonds (distance) C4'-P energy: -53.759 bonds (distance) P-C4' energy: -51.860 flat angles C4'-P-C4' energy: -83.853 flat angles P-C4'-P energy: -53.803 tors. eta vs tors. theta energy: -104.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1108.006892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.006892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.006892 (E_RNA) where: Base-Base interactions energy: -777.617 where: short stacking energy: -309.165 Base-Backbone interact. energy: -2.013 local terms energy: -328.377068 where: bonds (distance) C4'-P energy: -68.414 bonds (distance) P-C4' energy: -67.891 flat angles C4'-P-C4' energy: -64.114 flat angles P-C4'-P energy: -46.252 tors. eta vs tors. theta energy: -81.707 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: 2 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -1153.553722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.553722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.553722 (E_RNA) where: Base-Base interactions energy: -822.290 where: short stacking energy: -304.609 Base-Backbone interact. energy: -0.883 local terms energy: -330.380968 where: bonds (distance) C4'-P energy: -53.338 bonds (distance) P-C4' energy: -72.727 flat angles C4'-P-C4' energy: -66.005 flat angles P-C4'-P energy: -49.346 tors. eta vs tors. theta energy: -88.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1693.920521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.920521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.920521 (E_RNA) where: Base-Base interactions energy: -1230.480 where: short stacking energy: -479.790 Base-Backbone interact. energy: -0.523 local terms energy: -462.917938 where: bonds (distance) C4'-P energy: -79.495 bonds (distance) P-C4' energy: -80.995 flat angles C4'-P-C4' energy: -93.571 flat angles P-C4'-P energy: -65.413 tors. eta vs tors. theta energy: -143.444 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: 9 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1597.133910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.133910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.133910 (E_RNA) where: Base-Base interactions energy: -1168.471 where: short stacking energy: -439.183 Base-Backbone interact. energy: -0.872 local terms energy: -427.791603 where: bonds (distance) C4'-P energy: -78.762 bonds (distance) P-C4' energy: -75.193 flat angles C4'-P-C4' energy: -89.614 flat angles P-C4'-P energy: -58.073 tors. eta vs tors. theta energy: -126.149 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: 10 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1531.048012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.048012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.048012 (E_RNA) where: Base-Base interactions energy: -1115.406 where: short stacking energy: -431.510 Base-Backbone interact. energy: -1.489 local terms energy: -414.152472 where: bonds (distance) C4'-P energy: -71.248 bonds (distance) P-C4' energy: -69.861 flat angles C4'-P-C4' energy: -87.737 flat angles P-C4'-P energy: -61.329 tors. eta vs tors. theta energy: -123.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1481.133339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.133339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.133339 (E_RNA) where: Base-Base interactions energy: -1098.384 where: short stacking energy: -433.627 Base-Backbone interact. energy: -0.718 local terms energy: -382.030696 where: bonds (distance) C4'-P energy: -60.418 bonds (distance) P-C4' energy: -85.051 flat angles C4'-P-C4' energy: -75.521 flat angles P-C4'-P energy: -39.716 tors. eta vs tors. theta energy: -121.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1445.349235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.349235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.349235 (E_RNA) where: Base-Base interactions energy: -1055.344 where: short stacking energy: -398.602 Base-Backbone interact. energy: -1.454 local terms energy: -388.551575 where: bonds (distance) C4'-P energy: -70.178 bonds (distance) P-C4' energy: -68.761 flat angles C4'-P-C4' energy: -79.853 flat angles P-C4'-P energy: -52.779 tors. eta vs tors. theta energy: -116.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1387.084447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.084447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.084447 (E_RNA) where: Base-Base interactions energy: -1013.328 where: short stacking energy: -396.272 Base-Backbone interact. energy: -0.150 local terms energy: -373.606583 where: bonds (distance) C4'-P energy: -65.135 bonds (distance) P-C4' energy: -65.296 flat angles C4'-P-C4' energy: -75.612 flat angles P-C4'-P energy: -57.037 tors. eta vs tors. theta energy: -110.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1330.812860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.812860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.812860 (E_RNA) where: Base-Base interactions energy: -956.397 where: short stacking energy: -364.063 Base-Backbone interact. energy: -0.323 local terms energy: -374.093106 where: bonds (distance) C4'-P energy: -56.383 bonds (distance) P-C4' energy: -67.759 flat angles C4'-P-C4' energy: -83.255 flat angles P-C4'-P energy: -53.310 tors. eta vs tors. theta energy: -113.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1229.902691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.902691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.902691 (E_RNA) where: Base-Base interactions energy: -893.560 where: short stacking energy: -355.043 Base-Backbone interact. energy: 0.076 local terms energy: -336.417853 where: bonds (distance) C4'-P energy: -55.098 bonds (distance) P-C4' energy: -61.837 flat angles C4'-P-C4' energy: -66.383 flat angles P-C4'-P energy: -52.817 tors. eta vs tors. theta energy: -100.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1155.340270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.340270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.340270 (E_RNA) where: Base-Base interactions energy: -830.153 where: short stacking energy: -323.857 Base-Backbone interact. energy: 0.961 local terms energy: -326.148001 where: bonds (distance) C4'-P energy: -60.039 bonds (distance) P-C4' energy: -63.279 flat angles C4'-P-C4' energy: -65.738 flat angles P-C4'-P energy: -43.531 tors. eta vs tors. theta energy: -93.561 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: 8 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -1067.994232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.994232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.994232 (E_RNA) where: Base-Base interactions energy: -752.012 where: short stacking energy: -288.515 Base-Backbone interact. energy: -0.991 local terms energy: -314.991395 where: bonds (distance) C4'-P energy: -63.193 bonds (distance) P-C4' energy: -61.511 flat angles C4'-P-C4' energy: -67.755 flat angles P-C4'-P energy: -43.302 tors. eta vs tors. theta energy: -79.230 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: 5 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1670.043068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.043068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.043068 (E_RNA) where: Base-Base interactions energy: -1218.605 where: short stacking energy: -467.863 Base-Backbone interact. energy: -0.499 local terms energy: -450.938644 where: bonds (distance) C4'-P energy: -71.103 bonds (distance) P-C4' energy: -80.094 flat angles C4'-P-C4' energy: -89.310 flat angles P-C4'-P energy: -66.920 tors. eta vs tors. theta energy: -143.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1582.194706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.194706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.194706 (E_RNA) where: Base-Base interactions energy: -1168.405 where: short stacking energy: -456.376 Base-Backbone interact. energy: 2.551 local terms energy: -416.341056 where: bonds (distance) C4'-P energy: -78.617 bonds (distance) P-C4' energy: -69.711 flat angles C4'-P-C4' energy: -82.807 flat angles P-C4'-P energy: -58.544 tors. eta vs tors. theta energy: -126.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1536.169821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.169821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.169821 (E_RNA) where: Base-Base interactions energy: -1108.853 where: short stacking energy: -442.450 Base-Backbone interact. energy: -1.580 local terms energy: -425.736678 where: bonds (distance) C4'-P energy: -67.113 bonds (distance) P-C4' energy: -74.806 flat angles C4'-P-C4' energy: -90.983 flat angles P-C4'-P energy: -61.781 tors. eta vs tors. theta energy: -131.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1466.536719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.536719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.536719 (E_RNA) where: Base-Base interactions energy: -1058.891 where: short stacking energy: -399.616 Base-Backbone interact. energy: 3.189 local terms energy: -410.834134 where: bonds (distance) C4'-P energy: -77.377 bonds (distance) P-C4' energy: -79.530 flat angles C4'-P-C4' energy: -83.748 flat angles P-C4'-P energy: -57.075 tors. eta vs tors. theta energy: -113.104 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: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1444.182735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.182735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.182735 (E_RNA) where: Base-Base interactions energy: -1058.422 where: short stacking energy: -408.919 Base-Backbone interact. energy: 0.369 local terms energy: -386.129389 where: bonds (distance) C4'-P energy: -71.111 bonds (distance) P-C4' energy: -59.019 flat angles C4'-P-C4' energy: -79.381 flat angles P-C4'-P energy: -59.358 tors. eta vs tors. theta energy: -117.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1389.637064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.637064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.637064 (E_RNA) where: Base-Base interactions energy: -1003.046 where: short stacking energy: -401.113 Base-Backbone interact. energy: -2.053 local terms energy: -384.538958 where: bonds (distance) C4'-P energy: -55.303 bonds (distance) P-C4' energy: -74.155 flat angles C4'-P-C4' energy: -81.097 flat angles P-C4'-P energy: -55.965 tors. eta vs tors. theta energy: -118.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1345.344257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.344257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.344257 (E_RNA) where: Base-Base interactions energy: -959.016 where: short stacking energy: -350.540 Base-Backbone interact. energy: 0.723 local terms energy: -387.051349 where: bonds (distance) C4'-P energy: -64.572 bonds (distance) P-C4' energy: -72.242 flat angles C4'-P-C4' energy: -86.446 flat angles P-C4'-P energy: -60.205 tors. eta vs tors. theta energy: -103.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1239.341159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.341159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.341159 (E_RNA) where: Base-Base interactions energy: -886.772 where: short stacking energy: -342.933 Base-Backbone interact. energy: 4.355 local terms energy: -356.924038 where: bonds (distance) C4'-P energy: -54.896 bonds (distance) P-C4' energy: -62.405 flat angles C4'-P-C4' energy: -85.941 flat angles P-C4'-P energy: -55.212 tors. eta vs tors. theta energy: -98.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1196.563211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.563211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.563211 (E_RNA) where: Base-Base interactions energy: -888.213 where: short stacking energy: -351.246 Base-Backbone interact. energy: -1.615 local terms energy: -306.735178 where: bonds (distance) C4'-P energy: -42.565 bonds (distance) P-C4' energy: -64.880 flat angles C4'-P-C4' energy: -69.774 flat angles P-C4'-P energy: -45.669 tors. eta vs tors. theta energy: -83.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1032.196967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.196967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.196967 (E_RNA) where: Base-Base interactions energy: -734.365 where: short stacking energy: -283.223 Base-Backbone interact. energy: -0.387 local terms energy: -297.445588 where: bonds (distance) C4'-P energy: -53.755 bonds (distance) P-C4' energy: -57.193 flat angles C4'-P-C4' energy: -76.618 flat angles P-C4'-P energy: -35.873 tors. eta vs tors. theta energy: -74.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1681.462760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.462760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.462760 (E_RNA) where: Base-Base interactions energy: -1228.565 where: short stacking energy: -487.783 Base-Backbone interact. energy: -0.068 local terms energy: -452.830305 where: bonds (distance) C4'-P energy: -72.547 bonds (distance) P-C4' energy: -74.087 flat angles C4'-P-C4' energy: -94.816 flat angles P-C4'-P energy: -64.229 tors. eta vs tors. theta energy: -147.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1589.918851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.918851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.918851 (E_RNA) where: Base-Base interactions energy: -1162.598 where: short stacking energy: -433.718 Base-Backbone interact. energy: -0.002 local terms energy: -427.317962 where: bonds (distance) C4'-P energy: -69.207 bonds (distance) P-C4' energy: -82.161 flat angles C4'-P-C4' energy: -85.362 flat angles P-C4'-P energy: -68.304 tors. eta vs tors. theta energy: -122.283 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: 10 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1539.661775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.661775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.661775 (E_RNA) where: Base-Base interactions energy: -1114.686 where: short stacking energy: -437.958 Base-Backbone interact. energy: -0.415 local terms energy: -424.560882 where: bonds (distance) C4'-P energy: -72.618 bonds (distance) P-C4' energy: -68.785 flat angles C4'-P-C4' energy: -91.909 flat angles P-C4'-P energy: -57.600 tors. eta vs tors. theta energy: -133.648 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: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1463.983869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.983869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.983869 (E_RNA) where: Base-Base interactions energy: -1073.669 where: short stacking energy: -404.124 Base-Backbone interact. energy: -0.939 local terms energy: -389.375356 where: bonds (distance) C4'-P energy: -68.821 bonds (distance) P-C4' energy: -68.726 flat angles C4'-P-C4' energy: -81.772 flat angles P-C4'-P energy: -57.342 tors. eta vs tors. theta energy: -112.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1438.842823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.842823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.842823 (E_RNA) where: Base-Base interactions energy: -1045.592 where: short stacking energy: -406.429 Base-Backbone interact. energy: 1.181 local terms energy: -394.432365 where: bonds (distance) C4'-P energy: -67.397 bonds (distance) P-C4' energy: -74.402 flat angles C4'-P-C4' energy: -78.640 flat angles P-C4'-P energy: -52.825 tors. eta vs tors. theta energy: -121.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1414.703304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.703304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.703304 (E_RNA) where: Base-Base interactions energy: -1032.786 where: short stacking energy: -408.818 Base-Backbone interact. energy: 2.474 local terms energy: -384.390897 where: bonds (distance) C4'-P energy: -72.051 bonds (distance) P-C4' energy: -65.855 flat angles C4'-P-C4' energy: -78.757 flat angles P-C4'-P energy: -51.056 tors. eta vs tors. theta energy: -116.673 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: 7 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1345.974728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.974728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.974728 (E_RNA) where: Base-Base interactions energy: -984.365 where: short stacking energy: -369.308 Base-Backbone interact. energy: -1.214 local terms energy: -360.395231 where: bonds (distance) C4'-P energy: -69.811 bonds (distance) P-C4' energy: -63.282 flat angles C4'-P-C4' energy: -74.729 flat angles P-C4'-P energy: -40.438 tors. eta vs tors. theta energy: -112.136 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: 3 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1234.102285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.102285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.102285 (E_RNA) where: Base-Base interactions energy: -867.635 where: short stacking energy: -323.096 Base-Backbone interact. energy: 0.215 local terms energy: -366.681989 where: bonds (distance) C4'-P energy: -69.870 bonds (distance) P-C4' energy: -58.583 flat angles C4'-P-C4' energy: -84.734 flat angles P-C4'-P energy: -52.816 tors. eta vs tors. theta energy: -100.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1182.677096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.677096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.677096 (E_RNA) where: Base-Base interactions energy: -850.918 where: short stacking energy: -331.701 Base-Backbone interact. energy: 0.065 local terms energy: -331.823402 where: bonds (distance) C4'-P energy: -49.470 bonds (distance) P-C4' energy: -72.402 flat angles C4'-P-C4' energy: -72.467 flat angles P-C4'-P energy: -44.257 tors. eta vs tors. theta energy: -93.227 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: 8 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -981.120401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.120401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.120401 (E_RNA) where: Base-Base interactions energy: -696.276 where: short stacking energy: -286.611 Base-Backbone interact. energy: -1.837 local terms energy: -283.007488 where: bonds (distance) C4'-P energy: -53.547 bonds (distance) P-C4' energy: -66.182 flat angles C4'-P-C4' energy: -61.778 flat angles P-C4'-P energy: -34.602 tors. eta vs tors. theta energy: -66.899 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: 1, replica: 5 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1673.271280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.271280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.271280 (E_RNA) where: Base-Base interactions energy: -1228.376 where: short stacking energy: -480.325 Base-Backbone interact. energy: -0.485 local terms energy: -444.410463 where: bonds (distance) C4'-P energy: -67.741 bonds (distance) P-C4' energy: -74.560 flat angles C4'-P-C4' energy: -83.156 flat angles P-C4'-P energy: -72.836 tors. eta vs tors. theta energy: -146.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1575.308999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.308999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.308999 (E_RNA) where: Base-Base interactions energy: -1160.942 where: short stacking energy: -446.942 Base-Backbone interact. energy: -1.734 local terms energy: -412.633207 where: bonds (distance) C4'-P energy: -68.256 bonds (distance) P-C4' energy: -69.748 flat angles C4'-P-C4' energy: -92.993 flat angles P-C4'-P energy: -56.536 tors. eta vs tors. theta energy: -125.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1555.589572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.589572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.589572 (E_RNA) where: Base-Base interactions energy: -1119.542 where: short stacking energy: -437.854 Base-Backbone interact. energy: -0.400 local terms energy: -435.647834 where: bonds (distance) C4'-P energy: -71.282 bonds (distance) P-C4' energy: -81.696 flat angles C4'-P-C4' energy: -91.728 flat angles P-C4'-P energy: -56.105 tors. eta vs tors. theta energy: -134.837 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: 4 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1470.021786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.021786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.021786 (E_RNA) where: Base-Base interactions energy: -1069.148 where: short stacking energy: -415.704 Base-Backbone interact. energy: 0.130 local terms energy: -401.003279 where: bonds (distance) C4'-P energy: -64.149 bonds (distance) P-C4' energy: -68.265 flat angles C4'-P-C4' energy: -81.425 flat angles P-C4'-P energy: -62.198 tors. eta vs tors. theta energy: -124.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1448.519467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.519467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.519467 (E_RNA) where: Base-Base interactions energy: -1038.578 where: short stacking energy: -393.985 Base-Backbone interact. energy: -0.595 local terms energy: -409.346625 where: bonds (distance) C4'-P energy: -70.284 bonds (distance) P-C4' energy: -77.043 flat angles C4'-P-C4' energy: -87.909 flat angles P-C4'-P energy: -55.282 tors. eta vs tors. theta energy: -118.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1397.600605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.600605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.600605 (E_RNA) where: Base-Base interactions energy: -1010.850 where: short stacking energy: -393.366 Base-Backbone interact. energy: 2.020 local terms energy: -388.770759 where: bonds (distance) C4'-P energy: -64.253 bonds (distance) P-C4' energy: -75.462 flat angles C4'-P-C4' energy: -84.087 flat angles P-C4'-P energy: -56.141 tors. eta vs tors. theta energy: -108.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1348.069476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.069476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.069476 (E_RNA) where: Base-Base interactions energy: -1006.973 where: short stacking energy: -389.094 Base-Backbone interact. energy: -0.126 local terms energy: -340.970842 where: bonds (distance) C4'-P energy: -47.560 bonds (distance) P-C4' energy: -61.114 flat angles C4'-P-C4' energy: -77.371 flat angles P-C4'-P energy: -49.558 tors. eta vs tors. theta energy: -105.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1227.069256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.069256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.069256 (E_RNA) where: Base-Base interactions energy: -873.359 where: short stacking energy: -346.798 Base-Backbone interact. energy: -1.317 local terms energy: -352.393010 where: bonds (distance) C4'-P energy: -59.685 bonds (distance) P-C4' energy: -58.594 flat angles C4'-P-C4' energy: -77.393 flat angles P-C4'-P energy: -60.103 tors. eta vs tors. theta energy: -96.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1200.893202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.893202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.893202 (E_RNA) where: Base-Base interactions energy: -860.067 where: short stacking energy: -353.052 Base-Backbone interact. energy: 0.124 local terms energy: -340.950241 where: bonds (distance) C4'-P energy: -59.548 bonds (distance) P-C4' energy: -58.193 flat angles C4'-P-C4' energy: -69.909 flat angles P-C4'-P energy: -51.871 tors. eta vs tors. theta energy: -101.428 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: 8 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -988.030848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.030848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.030848 (E_RNA) where: Base-Base interactions energy: -695.856 where: short stacking energy: -271.235 Base-Backbone interact. energy: 5.070 local terms energy: -297.244588 where: bonds (distance) C4'-P energy: -59.462 bonds (distance) P-C4' energy: -67.125 flat angles C4'-P-C4' energy: -60.564 flat angles P-C4'-P energy: -47.272 tors. eta vs tors. theta energy: -62.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1680.973932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.973932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.973932 (E_RNA) where: Base-Base interactions energy: -1224.147 where: short stacking energy: -479.888 Base-Backbone interact. energy: -0.810 local terms energy: -456.017537 where: bonds (distance) C4'-P energy: -67.562 bonds (distance) P-C4' energy: -81.152 flat angles C4'-P-C4' energy: -94.460 flat angles P-C4'-P energy: -66.523 tors. eta vs tors. theta energy: -146.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1587.565221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.565221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.565221 (E_RNA) where: Base-Base interactions energy: -1179.387 where: short stacking energy: -446.235 Base-Backbone interact. energy: 0.291 local terms energy: -408.469371 where: bonds (distance) C4'-P energy: -66.157 bonds (distance) P-C4' energy: -66.169 flat angles C4'-P-C4' energy: -92.210 flat angles P-C4'-P energy: -55.983 tors. eta vs tors. theta energy: -127.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1550.046650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.046650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.046650 (E_RNA) where: Base-Base interactions energy: -1107.830 where: short stacking energy: -440.039 Base-Backbone interact. energy: 0.059 local terms energy: -442.275850 where: bonds (distance) C4'-P energy: -89.267 bonds (distance) P-C4' energy: -66.428 flat angles C4'-P-C4' energy: -92.565 flat angles P-C4'-P energy: -61.571 tors. eta vs tors. theta energy: -132.445 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: 4 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1459.826018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.826018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.826018 (E_RNA) where: Base-Base interactions energy: -1065.781 where: short stacking energy: -415.920 Base-Backbone interact. energy: -0.500 local terms energy: -393.544543 where: bonds (distance) C4'-P energy: -72.994 bonds (distance) P-C4' energy: -71.593 flat angles C4'-P-C4' energy: -88.126 flat angles P-C4'-P energy: -46.791 tors. eta vs tors. theta energy: -114.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1450.588366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.588366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.588366 (E_RNA) where: Base-Base interactions energy: -1062.151 where: short stacking energy: -400.648 Base-Backbone interact. energy: -1.504 local terms energy: -386.934012 where: bonds (distance) C4'-P energy: -62.484 bonds (distance) P-C4' energy: -76.280 flat angles C4'-P-C4' energy: -74.870 flat angles P-C4'-P energy: -59.544 tors. eta vs tors. theta energy: -113.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1388.450182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.450182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.450182 (E_RNA) where: Base-Base interactions energy: -1014.602 where: short stacking energy: -395.870 Base-Backbone interact. energy: -0.197 local terms energy: -373.651327 where: bonds (distance) C4'-P energy: -59.904 bonds (distance) P-C4' energy: -64.751 flat angles C4'-P-C4' energy: -81.028 flat angles P-C4'-P energy: -48.627 tors. eta vs tors. theta energy: -119.341 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: 7 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1313.312482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.312482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.312482 (E_RNA) where: Base-Base interactions energy: -953.554 where: short stacking energy: -361.933 Base-Backbone interact. energy: -0.805 local terms energy: -358.953446 where: bonds (distance) C4'-P energy: -62.997 bonds (distance) P-C4' energy: -66.120 flat angles C4'-P-C4' energy: -80.389 flat angles P-C4'-P energy: -45.105 tors. eta vs tors. theta energy: -104.343 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: 3 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1243.982883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.982883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.982883 (E_RNA) where: Base-Base interactions energy: -919.885 where: short stacking energy: -358.584 Base-Backbone interact. energy: 0.637 local terms energy: -324.734848 where: bonds (distance) C4'-P energy: -54.346 bonds (distance) P-C4' energy: -61.302 flat angles C4'-P-C4' energy: -70.750 flat angles P-C4'-P energy: -42.880 tors. eta vs tors. theta energy: -95.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1206.331006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.331006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.331006 (E_RNA) where: Base-Base interactions energy: -862.217 where: short stacking energy: -341.318 Base-Backbone interact. energy: 0.316 local terms energy: -344.429658 where: bonds (distance) C4'-P energy: -59.588 bonds (distance) P-C4' energy: -52.341 flat angles C4'-P-C4' energy: -77.319 flat angles P-C4'-P energy: -56.975 tors. eta vs tors. theta energy: -98.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1030.385311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.385311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.385311 (E_RNA) where: Base-Base interactions energy: -731.412 where: short stacking energy: -295.619 Base-Backbone interact. energy: -0.135 local terms energy: -298.838267 where: bonds (distance) C4'-P energy: -49.063 bonds (distance) P-C4' energy: -60.275 flat angles C4'-P-C4' energy: -72.154 flat angles P-C4'-P energy: -40.424 tors. eta vs tors. theta energy: -76.923 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: 5 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1686.582886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.582886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.582886 (E_RNA) where: Base-Base interactions energy: -1236.959 where: short stacking energy: -479.027 Base-Backbone interact. energy: 0.007 local terms energy: -449.630354 where: bonds (distance) C4'-P energy: -78.044 bonds (distance) P-C4' energy: -77.452 flat angles C4'-P-C4' energy: -91.339 flat angles P-C4'-P energy: -58.500 tors. eta vs tors. theta energy: -144.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1574.097559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.097559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.097559 (E_RNA) where: Base-Base interactions energy: -1136.782 where: short stacking energy: -446.072 Base-Backbone interact. energy: -0.413 local terms energy: -436.902171 where: bonds (distance) C4'-P energy: -69.258 bonds (distance) P-C4' energy: -77.437 flat angles C4'-P-C4' energy: -88.527 flat angles P-C4'-P energy: -70.367 tors. eta vs tors. theta energy: -131.313 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: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1565.832110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.832110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.832110 (E_RNA) where: Base-Base interactions energy: -1126.600 where: short stacking energy: -431.468 Base-Backbone interact. energy: -0.959 local terms energy: -438.273204 where: bonds (distance) C4'-P energy: -78.417 bonds (distance) P-C4' energy: -75.690 flat angles C4'-P-C4' energy: -93.625 flat angles P-C4'-P energy: -66.690 tors. eta vs tors. theta energy: -123.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1491.114174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.114174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.114174 (E_RNA) where: Base-Base interactions energy: -1086.836 where: short stacking energy: -420.607 Base-Backbone interact. energy: 3.551 local terms energy: -407.828717 where: bonds (distance) C4'-P energy: -72.039 bonds (distance) P-C4' energy: -67.977 flat angles C4'-P-C4' energy: -82.494 flat angles P-C4'-P energy: -59.461 tors. eta vs tors. theta energy: -125.859 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: 5, replica: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1433.855695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.855695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.855695 (E_RNA) where: Base-Base interactions energy: -1046.661 where: short stacking energy: -403.112 Base-Backbone interact. energy: -0.553 local terms energy: -386.641037 where: bonds (distance) C4'-P energy: -71.276 bonds (distance) P-C4' energy: -67.744 flat angles C4'-P-C4' energy: -84.042 flat angles P-C4'-P energy: -51.823 tors. eta vs tors. theta energy: -111.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1410.568765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.568765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.568765 (E_RNA) where: Base-Base interactions energy: -1019.480 where: short stacking energy: -388.940 Base-Backbone interact. energy: -1.264 local terms energy: -389.824528 where: bonds (distance) C4'-P energy: -70.876 bonds (distance) P-C4' energy: -64.505 flat angles C4'-P-C4' energy: -81.622 flat angles P-C4'-P energy: -58.090 tors. eta vs tors. theta energy: -114.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1307.511121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.511121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.511121 (E_RNA) where: Base-Base interactions energy: -939.919 where: short stacking energy: -361.605 Base-Backbone interact. energy: -0.347 local terms energy: -367.244376 where: bonds (distance) C4'-P energy: -70.327 bonds (distance) P-C4' energy: -68.198 flat angles C4'-P-C4' energy: -75.072 flat angles P-C4'-P energy: -43.883 tors. eta vs tors. theta energy: -109.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1269.114504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.114504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.114504 (E_RNA) where: Base-Base interactions energy: -884.988 where: short stacking energy: -341.771 Base-Backbone interact. energy: -0.834 local terms energy: -383.292418 where: bonds (distance) C4'-P energy: -72.147 bonds (distance) P-C4' energy: -74.569 flat angles C4'-P-C4' energy: -79.225 flat angles P-C4'-P energy: -45.671 tors. eta vs tors. theta energy: -111.681 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: 2 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1181.025821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.025821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.025821 (E_RNA) where: Base-Base interactions energy: -844.169 where: short stacking energy: -338.307 Base-Backbone interact. energy: 0.957 local terms energy: -337.813965 where: bonds (distance) C4'-P energy: -53.101 bonds (distance) P-C4' energy: -63.105 flat angles C4'-P-C4' energy: -84.355 flat angles P-C4'-P energy: -50.580 tors. eta vs tors. theta energy: -86.673 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: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -995.198999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.198999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.198999 (E_RNA) where: Base-Base interactions energy: -697.504 where: short stacking energy: -270.575 Base-Backbone interact. energy: -0.787 local terms energy: -296.908163 where: bonds (distance) C4'-P energy: -55.545 bonds (distance) P-C4' energy: -65.010 flat angles C4'-P-C4' energy: -72.427 flat angles P-C4'-P energy: -38.279 tors. eta vs tors. theta energy: -65.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1676.756675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.756675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.756675 (E_RNA) where: Base-Base interactions energy: -1227.340 where: short stacking energy: -476.190 Base-Backbone interact. energy: -0.338 local terms energy: -449.078804 where: bonds (distance) C4'-P energy: -73.350 bonds (distance) P-C4' energy: -80.678 flat angles C4'-P-C4' energy: -89.996 flat angles P-C4'-P energy: -65.163 tors. eta vs tors. theta energy: -139.893 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: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1581.768387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.768387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.768387 (E_RNA) where: Base-Base interactions energy: -1146.013 where: short stacking energy: -455.200 Base-Backbone interact. energy: 3.996 local terms energy: -439.750813 where: bonds (distance) C4'-P energy: -81.700 bonds (distance) P-C4' energy: -76.371 flat angles C4'-P-C4' energy: -91.066 flat angles P-C4'-P energy: -60.900 tors. eta vs tors. theta energy: -129.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1544.140613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.140613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.140613 (E_RNA) where: Base-Base interactions energy: -1132.379 where: short stacking energy: -421.243 Base-Backbone interact. energy: 1.767 local terms energy: -413.528635 where: bonds (distance) C4'-P energy: -76.732 bonds (distance) P-C4' energy: -71.508 flat angles C4'-P-C4' energy: -93.240 flat angles P-C4'-P energy: -50.159 tors. eta vs tors. theta energy: -121.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1465.796736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.796736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.796736 (E_RNA) where: Base-Base interactions energy: -1055.164 where: short stacking energy: -395.895 Base-Backbone interact. energy: -1.203 local terms energy: -409.429572 where: bonds (distance) C4'-P energy: -67.406 bonds (distance) P-C4' energy: -74.999 flat angles C4'-P-C4' energy: -88.204 flat angles P-C4'-P energy: -58.385 tors. eta vs tors. theta energy: -120.437 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: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1443.440244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.440244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.440244 (E_RNA) where: Base-Base interactions energy: -1046.203 where: short stacking energy: -399.859 Base-Backbone interact. energy: 0.236 local terms energy: -397.473141 where: bonds (distance) C4'-P energy: -64.218 bonds (distance) P-C4' energy: -71.561 flat angles C4'-P-C4' energy: -83.662 flat angles P-C4'-P energy: -59.400 tors. eta vs tors. theta energy: -118.632 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: 6, replica: 1 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1412.236895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.236895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.236895 (E_RNA) where: Base-Base interactions energy: -1027.719 where: short stacking energy: -398.849 Base-Backbone interact. energy: -0.947 local terms energy: -383.571067 where: bonds (distance) C4'-P energy: -65.285 bonds (distance) P-C4' energy: -65.935 flat angles C4'-P-C4' energy: -80.685 flat angles P-C4'-P energy: -58.620 tors. eta vs tors. theta energy: -113.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1257.440415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.440415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.440415 (E_RNA) where: Base-Base interactions energy: -898.293 where: short stacking energy: -362.309 Base-Backbone interact. energy: -0.427 local terms energy: -358.719911 where: bonds (distance) C4'-P energy: -74.284 bonds (distance) P-C4' energy: -55.288 flat angles C4'-P-C4' energy: -70.632 flat angles P-C4'-P energy: -54.271 tors. eta vs tors. theta energy: -104.245 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: 8, replica: 7 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1303.996115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.996115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.996115 (E_RNA) where: Base-Base interactions energy: -946.160 where: short stacking energy: -360.003 Base-Backbone interact. energy: -0.515 local terms energy: -357.320360 where: bonds (distance) C4'-P energy: -60.553 bonds (distance) P-C4' energy: -70.847 flat angles C4'-P-C4' energy: -74.032 flat angles P-C4'-P energy: -47.032 tors. eta vs tors. theta energy: -104.856 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: 9, replica: 2 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1188.791540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.791540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.791540 (E_RNA) where: Base-Base interactions energy: -849.749 where: short stacking energy: -332.590 Base-Backbone interact. energy: -0.509 local terms energy: -338.533744 where: bonds (distance) C4'-P energy: -66.209 bonds (distance) P-C4' energy: -56.839 flat angles C4'-P-C4' energy: -80.913 flat angles P-C4'-P energy: -46.210 tors. eta vs tors. theta energy: -88.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -1007.749488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.749488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.749488 (E_RNA) where: Base-Base interactions energy: -704.213 where: short stacking energy: -295.154 Base-Backbone interact. energy: 1.043 local terms energy: -304.579858 where: bonds (distance) C4'-P energy: -56.397 bonds (distance) P-C4' energy: -60.569 flat angles C4'-P-C4' energy: -75.975 flat angles P-C4'-P energy: -39.916 tors. eta vs tors. theta energy: -71.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1676.736832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.736832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.736832 (E_RNA) where: Base-Base interactions energy: -1229.014 where: short stacking energy: -477.905 Base-Backbone interact. energy: -0.359 local terms energy: -447.363809 where: bonds (distance) C4'-P energy: -70.751 bonds (distance) P-C4' energy: -76.746 flat angles C4'-P-C4' energy: -87.398 flat angles P-C4'-P energy: -68.423 tors. eta vs tors. theta energy: -144.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1573.212924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.212924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.212924 (E_RNA) where: Base-Base interactions energy: -1134.641 where: short stacking energy: -445.761 Base-Backbone interact. energy: 0.265 local terms energy: -438.837109 where: bonds (distance) C4'-P energy: -74.510 bonds (distance) P-C4' energy: -74.025 flat angles C4'-P-C4' energy: -94.215 flat angles P-C4'-P energy: -64.893 tors. eta vs tors. theta energy: -131.195 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: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1548.431791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.431791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.431791 (E_RNA) where: Base-Base interactions energy: -1132.855 where: short stacking energy: -433.597 Base-Backbone interact. energy: 1.318 local terms energy: -416.894478 where: bonds (distance) C4'-P energy: -70.905 bonds (distance) P-C4' energy: -77.251 flat angles C4'-P-C4' energy: -83.691 flat angles P-C4'-P energy: -61.600 tors. eta vs tors. theta energy: -123.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1471.257421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.257421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.257421 (E_RNA) where: Base-Base interactions energy: -1061.001 where: short stacking energy: -411.601 Base-Backbone interact. energy: 0.915 local terms energy: -411.171505 where: bonds (distance) C4'-P energy: -68.489 bonds (distance) P-C4' energy: -78.619 flat angles C4'-P-C4' energy: -80.912 flat angles P-C4'-P energy: -59.083 tors. eta vs tors. theta energy: -124.069 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: 6 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1435.374489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.374489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.374489 (E_RNA) where: Base-Base interactions energy: -1054.054 where: short stacking energy: -393.104 Base-Backbone interact. energy: -2.264 local terms energy: -379.057010 where: bonds (distance) C4'-P energy: -61.375 bonds (distance) P-C4' energy: -66.688 flat angles C4'-P-C4' energy: -79.283 flat angles P-C4'-P energy: -57.460 tors. eta vs tors. theta energy: -114.252 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: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1409.043355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.043355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.043355 (E_RNA) where: Base-Base interactions energy: -1024.801 where: short stacking energy: -392.931 Base-Backbone interact. energy: 1.237 local terms energy: -385.479409 where: bonds (distance) C4'-P energy: -65.362 bonds (distance) P-C4' energy: -62.767 flat angles C4'-P-C4' energy: -83.921 flat angles P-C4'-P energy: -59.471 tors. eta vs tors. theta energy: -113.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1275.235481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.235481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.235481 (E_RNA) where: Base-Base interactions energy: -913.505 where: short stacking energy: -366.652 Base-Backbone interact. energy: 0.799 local terms energy: -362.529535 where: bonds (distance) C4'-P energy: -62.581 bonds (distance) P-C4' energy: -63.517 flat angles C4'-P-C4' energy: -79.160 flat angles P-C4'-P energy: -53.991 tors. eta vs tors. theta energy: -103.281 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: 187 Temperature: 1.250000 Total energy: -1270.116949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.116949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.116949 (E_RNA) where: Base-Base interactions energy: -904.673 where: short stacking energy: -360.896 Base-Backbone interact. energy: 1.540 local terms energy: -366.983754 where: bonds (distance) C4'-P energy: -61.079 bonds (distance) P-C4' energy: -74.644 flat angles C4'-P-C4' energy: -81.397 flat angles P-C4'-P energy: -51.219 tors. eta vs tors. theta energy: -98.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1167.361494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.361494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.361494 (E_RNA) where: Base-Base interactions energy: -828.253 where: short stacking energy: -321.550 Base-Backbone interact. energy: -0.391 local terms energy: -338.716829 where: bonds (distance) C4'-P energy: -68.148 bonds (distance) P-C4' energy: -55.041 flat angles C4'-P-C4' energy: -77.769 flat angles P-C4'-P energy: -49.287 tors. eta vs tors. theta energy: -88.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -1013.463813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.463813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.463813 (E_RNA) where: Base-Base interactions energy: -718.235 where: short stacking energy: -293.552 Base-Backbone interact. energy: -0.654 local terms energy: -294.575085 where: bonds (distance) C4'-P energy: -50.080 bonds (distance) P-C4' energy: -56.195 flat angles C4'-P-C4' energy: -70.255 flat angles P-C4'-P energy: -41.598 tors. eta vs tors. theta energy: -76.446 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: 5 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1686.193140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.193140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.193140 (E_RNA) where: Base-Base interactions energy: -1226.018 where: short stacking energy: -475.447 Base-Backbone interact. energy: 0.352 local terms energy: -460.527111 where: bonds (distance) C4'-P energy: -80.500 bonds (distance) P-C4' energy: -72.735 flat angles C4'-P-C4' energy: -93.306 flat angles P-C4'-P energy: -67.732 tors. eta vs tors. theta energy: -146.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1566.832181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.832181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.832181 (E_RNA) where: Base-Base interactions energy: -1130.902 where: short stacking energy: -453.434 Base-Backbone interact. energy: -0.721 local terms energy: -435.208960 where: bonds (distance) C4'-P energy: -75.640 bonds (distance) P-C4' energy: -66.643 flat angles C4'-P-C4' energy: -89.284 flat angles P-C4'-P energy: -71.316 tors. eta vs tors. theta energy: -132.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1556.665947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.665947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.665947 (E_RNA) where: Base-Base interactions energy: -1143.569 where: short stacking energy: -433.887 Base-Backbone interact. energy: 0.804 local terms energy: -413.900933 where: bonds (distance) C4'-P energy: -75.076 bonds (distance) P-C4' energy: -70.069 flat angles C4'-P-C4' energy: -85.727 flat angles P-C4'-P energy: -61.260 tors. eta vs tors. theta energy: -121.769 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: 4, replica: 4 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1451.230345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.230345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.230345 (E_RNA) where: Base-Base interactions energy: -1037.660 where: short stacking energy: -403.965 Base-Backbone interact. energy: 2.150 local terms energy: -415.721226 where: bonds (distance) C4'-P energy: -74.296 bonds (distance) P-C4' energy: -79.448 flat angles C4'-P-C4' energy: -90.943 flat angles P-C4'-P energy: -51.969 tors. eta vs tors. theta energy: -119.065 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: 5, replica: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1421.563736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.563736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.563736 (E_RNA) where: Base-Base interactions energy: -1038.440 where: short stacking energy: -401.825 Base-Backbone interact. energy: 1.510 local terms energy: -384.634424 where: bonds (distance) C4'-P energy: -63.442 bonds (distance) P-C4' energy: -61.107 flat angles C4'-P-C4' energy: -88.628 flat angles P-C4'-P energy: -58.285 tors. eta vs tors. theta energy: -113.172 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: 6, replica: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1404.816333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.816333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.816333 (E_RNA) where: Base-Base interactions energy: -1053.400 where: short stacking energy: -393.355 Base-Backbone interact. energy: -1.496 local terms energy: -349.920223 where: bonds (distance) C4'-P energy: -59.158 bonds (distance) P-C4' energy: -48.843 flat angles C4'-P-C4' energy: -75.597 flat angles P-C4'-P energy: -50.157 tors. eta vs tors. theta energy: -116.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1315.977872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.977872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.977872 (E_RNA) where: Base-Base interactions energy: -957.636 where: short stacking energy: -369.583 Base-Backbone interact. energy: -0.045 local terms energy: -358.296654 where: bonds (distance) C4'-P energy: -59.353 bonds (distance) P-C4' energy: -58.363 flat angles C4'-P-C4' energy: -81.615 flat angles P-C4'-P energy: -55.701 tors. eta vs tors. theta energy: -103.265 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: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1323.321263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.321263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.321263 (E_RNA) where: Base-Base interactions energy: -959.868 where: short stacking energy: -379.845 Base-Backbone interact. energy: -0.155 local terms energy: -363.297838 where: bonds (distance) C4'-P energy: -51.707 bonds (distance) P-C4' energy: -70.222 flat angles C4'-P-C4' energy: -84.629 flat angles P-C4'-P energy: -53.093 tors. eta vs tors. theta energy: -103.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1183.926127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.926127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.926127 (E_RNA) where: Base-Base interactions energy: -838.353 where: short stacking energy: -321.147 Base-Backbone interact. energy: -0.124 local terms energy: -345.448767 where: bonds (distance) C4'-P energy: -71.471 bonds (distance) P-C4' energy: -67.832 flat angles C4'-P-C4' energy: -79.263 flat angles P-C4'-P energy: -45.251 tors. eta vs tors. theta energy: -81.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -1011.123207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.123207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.123207 (E_RNA) where: Base-Base interactions energy: -681.640 where: short stacking energy: -296.165 Base-Backbone interact. energy: -2.287 local terms energy: -327.196504 where: bonds (distance) C4'-P energy: -59.916 bonds (distance) P-C4' energy: -64.516 flat angles C4'-P-C4' energy: -73.457 flat angles P-C4'-P energy: -52.031 tors. eta vs tors. theta energy: -77.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1673.345220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.345220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.345220 (E_RNA) where: Base-Base interactions energy: -1214.301 where: short stacking energy: -478.576 Base-Backbone interact. energy: -0.436 local terms energy: -458.608943 where: bonds (distance) C4'-P energy: -73.223 bonds (distance) P-C4' energy: -78.459 flat angles C4'-P-C4' energy: -87.413 flat angles P-C4'-P energy: -74.528 tors. eta vs tors. theta energy: -144.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1567.425373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.425373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.425373 (E_RNA) where: Base-Base interactions energy: -1133.378 where: short stacking energy: -433.803 Base-Backbone interact. energy: 0.007 local terms energy: -434.054127 where: bonds (distance) C4'-P energy: -73.492 bonds (distance) P-C4' energy: -77.048 flat angles C4'-P-C4' energy: -87.275 flat angles P-C4'-P energy: -65.290 tors. eta vs tors. theta energy: -130.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1560.855734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.855734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.855734 (E_RNA) where: Base-Base interactions energy: -1130.989 where: short stacking energy: -418.201 Base-Backbone interact. energy: -0.677 local terms energy: -429.190106 where: bonds (distance) C4'-P energy: -75.981 bonds (distance) P-C4' energy: -73.242 flat angles C4'-P-C4' energy: -86.998 flat angles P-C4'-P energy: -71.803 tors. eta vs tors. theta energy: -121.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1476.423547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.423547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.423547 (E_RNA) where: Base-Base interactions energy: -1049.570 where: short stacking energy: -408.474 Base-Backbone interact. energy: -0.732 local terms energy: -426.121696 where: bonds (distance) C4'-P energy: -71.916 bonds (distance) P-C4' energy: -76.750 flat angles C4'-P-C4' energy: -90.410 flat angles P-C4'-P energy: -62.104 tors. eta vs tors. theta energy: -124.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1441.515515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.515515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.515515 (E_RNA) where: Base-Base interactions energy: -1040.326 where: short stacking energy: -406.001 Base-Backbone interact. energy: -3.048 local terms energy: -398.142352 where: bonds (distance) C4'-P energy: -72.750 bonds (distance) P-C4' energy: -69.642 flat angles C4'-P-C4' energy: -84.627 flat angles P-C4'-P energy: -59.673 tors. eta vs tors. theta energy: -111.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1395.050242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.050242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.050242 (E_RNA) where: Base-Base interactions energy: -1031.557 where: short stacking energy: -399.244 Base-Backbone interact. energy: -1.193 local terms energy: -362.300390 where: bonds (distance) C4'-P energy: -60.893 bonds (distance) P-C4' energy: -67.781 flat angles C4'-P-C4' energy: -77.325 flat angles P-C4'-P energy: -45.015 tors. eta vs tors. theta energy: -111.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1291.663408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.663408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.663408 (E_RNA) where: Base-Base interactions energy: -932.860 where: short stacking energy: -361.362 Base-Backbone interact. energy: -0.676 local terms energy: -358.127253 where: bonds (distance) C4'-P energy: -66.471 bonds (distance) P-C4' energy: -57.232 flat angles C4'-P-C4' energy: -78.546 flat angles P-C4'-P energy: -54.955 tors. eta vs tors. theta energy: -100.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1304.303751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.303751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.303751 (E_RNA) where: Base-Base interactions energy: -956.898 where: short stacking energy: -359.085 Base-Backbone interact. energy: 3.363 local terms energy: -350.768529 where: bonds (distance) C4'-P energy: -57.275 bonds (distance) P-C4' energy: -66.315 flat angles C4'-P-C4' energy: -71.947 flat angles P-C4'-P energy: -51.259 tors. eta vs tors. theta energy: -103.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1190.216995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.216995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.216995 (E_RNA) where: Base-Base interactions energy: -867.070 where: short stacking energy: -347.764 Base-Backbone interact. energy: 0.359 local terms energy: -323.505879 where: bonds (distance) C4'-P energy: -37.552 bonds (distance) P-C4' energy: -56.475 flat angles C4'-P-C4' energy: -82.591 flat angles P-C4'-P energy: -50.205 tors. eta vs tors. theta energy: -96.682 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: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -990.492670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.492670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.492670 (E_RNA) where: Base-Base interactions energy: -708.714 where: short stacking energy: -289.482 Base-Backbone interact. energy: 0.769 local terms energy: -282.547453 where: bonds (distance) C4'-P energy: -57.331 bonds (distance) P-C4' energy: -57.664 flat angles C4'-P-C4' energy: -57.017 flat angles P-C4'-P energy: -39.149 tors. eta vs tors. theta energy: -71.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1688.238361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.238361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.238361 (E_RNA) where: Base-Base interactions energy: -1235.086 where: short stacking energy: -475.168 Base-Backbone interact. energy: -0.468 local terms energy: -452.684357 where: bonds (distance) C4'-P energy: -80.143 bonds (distance) P-C4' energy: -70.073 flat angles C4'-P-C4' energy: -93.309 flat angles P-C4'-P energy: -64.433 tors. eta vs tors. theta energy: -144.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1572.967641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.967641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.967641 (E_RNA) where: Base-Base interactions energy: -1140.631 where: short stacking energy: -456.861 Base-Backbone interact. energy: -0.676 local terms energy: -431.660744 where: bonds (distance) C4'-P energy: -68.224 bonds (distance) P-C4' energy: -71.493 flat angles C4'-P-C4' energy: -89.822 flat angles P-C4'-P energy: -64.009 tors. eta vs tors. theta energy: -138.112 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: 190 Temperature: 1.000000 Total energy: -1569.234171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.234171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.234171 (E_RNA) where: Base-Base interactions energy: -1132.825 where: short stacking energy: -420.226 Base-Backbone interact. energy: -0.605 local terms energy: -435.803662 where: bonds (distance) C4'-P energy: -78.472 bonds (distance) P-C4' energy: -71.829 flat angles C4'-P-C4' energy: -93.317 flat angles P-C4'-P energy: -67.369 tors. eta vs tors. theta energy: -124.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1469.631788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.631788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.631788 (E_RNA) where: Base-Base interactions energy: -1049.321 where: short stacking energy: -409.373 Base-Backbone interact. energy: -0.745 local terms energy: -419.566348 where: bonds (distance) C4'-P energy: -72.623 bonds (distance) P-C4' energy: -72.112 flat angles C4'-P-C4' energy: -89.163 flat angles P-C4'-P energy: -64.899 tors. eta vs tors. theta energy: -120.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1411.874901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.874901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.874901 (E_RNA) where: Base-Base interactions energy: -1017.830 where: short stacking energy: -404.085 Base-Backbone interact. energy: -1.559 local terms energy: -392.486225 where: bonds (distance) C4'-P energy: -74.006 bonds (distance) P-C4' energy: -64.187 flat angles C4'-P-C4' energy: -89.221 flat angles P-C4'-P energy: -45.557 tors. eta vs tors. theta energy: -119.516 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: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1374.700194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.700194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.700194 (E_RNA) where: Base-Base interactions energy: -991.936 where: short stacking energy: -382.477 Base-Backbone interact. energy: -0.250 local terms energy: -382.514116 where: bonds (distance) C4'-P energy: -55.027 bonds (distance) P-C4' energy: -77.988 flat angles C4'-P-C4' energy: -78.124 flat angles P-C4'-P energy: -58.073 tors. eta vs tors. theta energy: -113.302 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: 7 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1300.509709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.509709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.509709 (E_RNA) where: Base-Base interactions energy: -964.577 where: short stacking energy: -365.930 Base-Backbone interact. energy: -0.292 local terms energy: -335.640667 where: bonds (distance) C4'-P energy: -55.781 bonds (distance) P-C4' energy: -49.441 flat angles C4'-P-C4' energy: -76.344 flat angles P-C4'-P energy: -53.508 tors. eta vs tors. theta energy: -100.567 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: 8, replica: 3 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1270.803669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.803669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.803669 (E_RNA) where: Base-Base interactions energy: -912.597 where: short stacking energy: -348.463 Base-Backbone interact. energy: 0.065 local terms energy: -358.271778 where: bonds (distance) C4'-P energy: -60.626 bonds (distance) P-C4' energy: -68.551 flat angles C4'-P-C4' energy: -66.665 flat angles P-C4'-P energy: -61.135 tors. eta vs tors. theta energy: -101.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1178.257145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.257145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.257145 (E_RNA) where: Base-Base interactions energy: -846.202 where: short stacking energy: -347.700 Base-Backbone interact. energy: 1.056 local terms energy: -333.110923 where: bonds (distance) C4'-P energy: -74.279 bonds (distance) P-C4' energy: -47.487 flat angles C4'-P-C4' energy: -71.047 flat angles P-C4'-P energy: -51.483 tors. eta vs tors. theta energy: -88.815 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: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -1022.212912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.212912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.212912 (E_RNA) where: Base-Base interactions energy: -699.740 where: short stacking energy: -281.847 Base-Backbone interact. energy: -0.460 local terms energy: -322.012671 where: bonds (distance) C4'-P energy: -74.198 bonds (distance) P-C4' energy: -56.041 flat angles C4'-P-C4' energy: -73.535 flat angles P-C4'-P energy: -35.246 tors. eta vs tors. theta energy: -82.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1679.022460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.022460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.022460 (E_RNA) where: Base-Base interactions energy: -1233.382 where: short stacking energy: -487.432 Base-Backbone interact. energy: -0.583 local terms energy: -445.057894 where: bonds (distance) C4'-P energy: -62.840 bonds (distance) P-C4' energy: -67.478 flat angles C4'-P-C4' energy: -98.221 flat angles P-C4'-P energy: -69.330 tors. eta vs tors. theta energy: -147.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1581.218146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.218146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.218146 (E_RNA) where: Base-Base interactions energy: -1156.371 where: short stacking energy: -434.332 Base-Backbone interact. energy: 0.918 local terms energy: -425.765588 where: bonds (distance) C4'-P energy: -74.172 bonds (distance) P-C4' energy: -65.804 flat angles C4'-P-C4' energy: -98.331 flat angles P-C4'-P energy: -66.164 tors. eta vs tors. theta energy: -121.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1541.919472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.919472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.919472 (E_RNA) where: Base-Base interactions energy: -1115.930 where: short stacking energy: -440.185 Base-Backbone interact. energy: -0.585 local terms energy: -425.404217 where: bonds (distance) C4'-P energy: -80.148 bonds (distance) P-C4' energy: -60.869 flat angles C4'-P-C4' energy: -87.994 flat angles P-C4'-P energy: -60.188 tors. eta vs tors. theta energy: -136.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1453.146902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.146902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.146902 (E_RNA) where: Base-Base interactions energy: -1038.657 where: short stacking energy: -396.980 Base-Backbone interact. energy: -1.063 local terms energy: -413.427523 where: bonds (distance) C4'-P energy: -69.206 bonds (distance) P-C4' energy: -82.375 flat angles C4'-P-C4' energy: -91.491 flat angles P-C4'-P energy: -50.498 tors. eta vs tors. theta energy: -119.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1423.680338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.680338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.680338 (E_RNA) where: Base-Base interactions energy: -1056.851 where: short stacking energy: -395.731 Base-Backbone interact. energy: -0.703 local terms energy: -366.126195 where: bonds (distance) C4'-P energy: -61.465 bonds (distance) P-C4' energy: -69.697 flat angles C4'-P-C4' energy: -69.423 flat angles P-C4'-P energy: -53.741 tors. eta vs tors. theta energy: -111.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1399.731180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.731180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.731180 (E_RNA) where: Base-Base interactions energy: -1030.577 where: short stacking energy: -396.917 Base-Backbone interact. energy: -3.320 local terms energy: -365.833748 where: bonds (distance) C4'-P energy: -70.299 bonds (distance) P-C4' energy: -53.712 flat angles C4'-P-C4' energy: -80.825 flat angles P-C4'-P energy: -51.799 tors. eta vs tors. theta energy: -109.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1329.714611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.714611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.714611 (E_RNA) where: Base-Base interactions energy: -965.782 where: short stacking energy: -367.210 Base-Backbone interact. energy: -0.624 local terms energy: -363.308672 where: bonds (distance) C4'-P energy: -70.561 bonds (distance) P-C4' energy: -69.422 flat angles C4'-P-C4' energy: -83.574 flat angles P-C4'-P energy: -35.259 tors. eta vs tors. theta energy: -104.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1288.499860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.499860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.499860 (E_RNA) where: Base-Base interactions energy: -933.992 where: short stacking energy: -388.779 Base-Backbone interact. energy: -0.358 local terms energy: -354.149372 where: bonds (distance) C4'-P energy: -57.475 bonds (distance) P-C4' energy: -60.198 flat angles C4'-P-C4' energy: -81.208 flat angles P-C4'-P energy: -49.344 tors. eta vs tors. theta energy: -105.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1180.127223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.127223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.127223 (E_RNA) where: Base-Base interactions energy: -836.624 where: short stacking energy: -345.655 Base-Backbone interact. energy: -0.604 local terms energy: -342.898735 where: bonds (distance) C4'-P energy: -60.052 bonds (distance) P-C4' energy: -67.325 flat angles C4'-P-C4' energy: -70.439 flat angles P-C4'-P energy: -43.328 tors. eta vs tors. theta energy: -101.755 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: 191 Temperature: 1.350000 Total energy: -1072.702354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.702354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.702354 (E_RNA) where: Base-Base interactions energy: -753.743 where: short stacking energy: -306.404 Base-Backbone interact. energy: -0.947 local terms energy: -318.011930 where: bonds (distance) C4'-P energy: -61.470 bonds (distance) P-C4' energy: -55.454 flat angles C4'-P-C4' energy: -79.517 flat angles P-C4'-P energy: -48.110 tors. eta vs tors. theta energy: -73.461 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: 192 Temperature: 0.900000 Total energy: -1683.718989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.718989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.718989 (E_RNA) where: Base-Base interactions energy: -1245.061 where: short stacking energy: -491.505 Base-Backbone interact. energy: -0.222 local terms energy: -438.436364 where: bonds (distance) C4'-P energy: -73.439 bonds (distance) P-C4' energy: -66.860 flat angles C4'-P-C4' energy: -92.257 flat angles P-C4'-P energy: -63.956 tors. eta vs tors. theta energy: -141.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1586.249792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.249792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.249792 (E_RNA) where: Base-Base interactions energy: -1155.178 where: short stacking energy: -426.530 Base-Backbone interact. energy: -2.005 local terms energy: -429.066367 where: bonds (distance) C4'-P energy: -65.308 bonds (distance) P-C4' energy: -79.274 flat angles C4'-P-C4' energy: -93.359 flat angles P-C4'-P energy: -65.628 tors. eta vs tors. theta energy: -125.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1550.022230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.022230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.022230 (E_RNA) where: Base-Base interactions energy: -1115.351 where: short stacking energy: -449.018 Base-Backbone interact. energy: -0.214 local terms energy: -434.456926 where: bonds (distance) C4'-P energy: -70.273 bonds (distance) P-C4' energy: -63.470 flat angles C4'-P-C4' energy: -95.189 flat angles P-C4'-P energy: -70.101 tors. eta vs tors. theta energy: -135.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1442.177115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.177115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.177115 (E_RNA) where: Base-Base interactions energy: -1045.973 where: short stacking energy: -404.969 Base-Backbone interact. energy: 1.720 local terms energy: -397.924257 where: bonds (distance) C4'-P energy: -71.224 bonds (distance) P-C4' energy: -68.975 flat angles C4'-P-C4' energy: -89.182 flat angles P-C4'-P energy: -51.435 tors. eta vs tors. theta energy: -117.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1430.047422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.047422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.047422 (E_RNA) where: Base-Base interactions energy: -1036.085 where: short stacking energy: -409.549 Base-Backbone interact. energy: -0.462 local terms energy: -393.500267 where: bonds (distance) C4'-P energy: -60.915 bonds (distance) P-C4' energy: -70.217 flat angles C4'-P-C4' energy: -87.032 flat angles P-C4'-P energy: -60.512 tors. eta vs tors. theta energy: -114.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1398.823125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.823125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.823125 (E_RNA) where: Base-Base interactions energy: -1022.947 where: short stacking energy: -392.578 Base-Backbone interact. energy: -3.595 local terms energy: -372.281404 where: bonds (distance) C4'-P energy: -58.073 bonds (distance) P-C4' energy: -75.886 flat angles C4'-P-C4' energy: -71.500 flat angles P-C4'-P energy: -59.761 tors. eta vs tors. theta energy: -107.062 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: 3 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1359.074494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.074494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.074494 (E_RNA) where: Base-Base interactions energy: -970.941 where: short stacking energy: -394.054 Base-Backbone interact. energy: -0.160 local terms energy: -387.973673 where: bonds (distance) C4'-P energy: -69.627 bonds (distance) P-C4' energy: -67.258 flat angles C4'-P-C4' energy: -83.566 flat angles P-C4'-P energy: -55.484 tors. eta vs tors. theta energy: -112.038 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: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1290.810917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.810917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.810917 (E_RNA) where: Base-Base interactions energy: -948.398 where: short stacking energy: -369.149 Base-Backbone interact. energy: 0.435 local terms energy: -342.848024 where: bonds (distance) C4'-P energy: -43.967 bonds (distance) P-C4' energy: -58.712 flat angles C4'-P-C4' energy: -72.621 flat angles P-C4'-P energy: -52.502 tors. eta vs tors. theta energy: -115.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1183.118758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.118758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.118758 (E_RNA) where: Base-Base interactions energy: -863.904 where: short stacking energy: -327.470 Base-Backbone interact. energy: 1.017 local terms energy: -320.231401 where: bonds (distance) C4'-P energy: -55.058 bonds (distance) P-C4' energy: -62.804 flat angles C4'-P-C4' energy: -61.603 flat angles P-C4'-P energy: -49.949 tors. eta vs tors. theta energy: -90.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -1037.081791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.081791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.081791 (E_RNA) where: Base-Base interactions energy: -724.320 where: short stacking energy: -287.079 Base-Backbone interact. energy: -1.400 local terms energy: -311.362312 where: bonds (distance) C4'-P energy: -59.233 bonds (distance) P-C4' energy: -46.750 flat angles C4'-P-C4' energy: -77.488 flat angles P-C4'-P energy: -47.109 tors. eta vs tors. theta energy: -80.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1701.791830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.791830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.791830 (E_RNA) where: Base-Base interactions energy: -1233.226 where: short stacking energy: -481.998 Base-Backbone interact. energy: -0.192 local terms energy: -468.373808 where: bonds (distance) C4'-P energy: -72.736 bonds (distance) P-C4' energy: -83.947 flat angles C4'-P-C4' energy: -97.618 flat angles P-C4'-P energy: -69.103 tors. eta vs tors. theta energy: -144.969 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: 9 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1571.537109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.537109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.537109 (E_RNA) where: Base-Base interactions energy: -1147.911 where: short stacking energy: -428.220 Base-Backbone interact. energy: -1.151 local terms energy: -422.474766 where: bonds (distance) C4'-P energy: -84.311 bonds (distance) P-C4' energy: -71.358 flat angles C4'-P-C4' energy: -81.267 flat angles P-C4'-P energy: -62.693 tors. eta vs tors. theta energy: -122.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1553.061538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.061538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.061538 (E_RNA) where: Base-Base interactions energy: -1114.623 where: short stacking energy: -440.866 Base-Backbone interact. energy: 0.919 local terms energy: -439.357692 where: bonds (distance) C4'-P energy: -74.163 bonds (distance) P-C4' energy: -74.898 flat angles C4'-P-C4' energy: -89.330 flat angles P-C4'-P energy: -66.671 tors. eta vs tors. theta energy: -134.296 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: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1458.625759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.625759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.625759 (E_RNA) where: Base-Base interactions energy: -1064.242 where: short stacking energy: -400.410 Base-Backbone interact. energy: 2.206 local terms energy: -396.590166 where: bonds (distance) C4'-P energy: -67.374 bonds (distance) P-C4' energy: -68.466 flat angles C4'-P-C4' energy: -90.740 flat angles P-C4'-P energy: -54.173 tors. eta vs tors. theta energy: -115.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1440.422555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.422555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.422555 (E_RNA) where: Base-Base interactions energy: -1045.697 where: short stacking energy: -408.858 Base-Backbone interact. energy: -0.042 local terms energy: -394.683662 where: bonds (distance) C4'-P energy: -63.220 bonds (distance) P-C4' energy: -73.386 flat angles C4'-P-C4' energy: -87.835 flat angles P-C4'-P energy: -59.059 tors. eta vs tors. theta energy: -111.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1395.329360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.329360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.329360 (E_RNA) where: Base-Base interactions energy: -1032.994 where: short stacking energy: -388.410 Base-Backbone interact. energy: -3.430 local terms energy: -358.905284 where: bonds (distance) C4'-P energy: -60.748 bonds (distance) P-C4' energy: -54.809 flat angles C4'-P-C4' energy: -78.792 flat angles P-C4'-P energy: -54.293 tors. eta vs tors. theta energy: -110.264 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: 3 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1372.200696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.200696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.200696 (E_RNA) where: Base-Base interactions energy: -982.561 where: short stacking energy: -404.863 Base-Backbone interact. energy: -0.186 local terms energy: -389.454502 where: bonds (distance) C4'-P energy: -62.392 bonds (distance) P-C4' energy: -70.619 flat angles C4'-P-C4' energy: -85.666 flat angles P-C4'-P energy: -47.853 tors. eta vs tors. theta energy: -122.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1296.817919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.817919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.817919 (E_RNA) where: Base-Base interactions energy: -944.850 where: short stacking energy: -382.355 Base-Backbone interact. energy: -1.360 local terms energy: -350.607905 where: bonds (distance) C4'-P energy: -62.405 bonds (distance) P-C4' energy: -66.559 flat angles C4'-P-C4' energy: -69.374 flat angles P-C4'-P energy: -47.765 tors. eta vs tors. theta energy: -104.505 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: 2 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1159.981584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.981584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.981584 (E_RNA) where: Base-Base interactions energy: -817.809 where: short stacking energy: -334.152 Base-Backbone interact. energy: 2.362 local terms energy: -344.534490 where: bonds (distance) C4'-P energy: -51.054 bonds (distance) P-C4' energy: -67.645 flat angles C4'-P-C4' energy: -76.651 flat angles P-C4'-P energy: -56.303 tors. eta vs tors. theta energy: -92.881 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: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -1068.106588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.106588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.106588 (E_RNA) where: Base-Base interactions energy: -759.414 where: short stacking energy: -299.936 Base-Backbone interact. energy: -1.225 local terms energy: -307.468290 where: bonds (distance) C4'-P energy: -57.508 bonds (distance) P-C4' energy: -63.968 flat angles C4'-P-C4' energy: -68.553 flat angles P-C4'-P energy: -37.679 tors. eta vs tors. theta energy: -79.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1693.788550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.788550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.788550 (E_RNA) where: Base-Base interactions energy: -1232.050 where: short stacking energy: -471.937 Base-Backbone interact. energy: -0.079 local terms energy: -461.659984 where: bonds (distance) C4'-P energy: -75.731 bonds (distance) P-C4' energy: -77.518 flat angles C4'-P-C4' energy: -96.465 flat angles P-C4'-P energy: -67.797 tors. eta vs tors. theta energy: -144.150 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: 9 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1574.478392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.478392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.478392 (E_RNA) where: Base-Base interactions energy: -1167.552 where: short stacking energy: -428.374 Base-Backbone interact. energy: 0.359 local terms energy: -407.285665 where: bonds (distance) C4'-P energy: -74.230 bonds (distance) P-C4' energy: -59.876 flat angles C4'-P-C4' energy: -91.033 flat angles P-C4'-P energy: -57.621 tors. eta vs tors. theta energy: -124.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1548.517447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.517447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.517447 (E_RNA) where: Base-Base interactions energy: -1134.807 where: short stacking energy: -444.598 Base-Backbone interact. energy: -0.695 local terms energy: -413.015468 where: bonds (distance) C4'-P energy: -69.876 bonds (distance) P-C4' energy: -80.070 flat angles C4'-P-C4' energy: -83.423 flat angles P-C4'-P energy: -51.408 tors. eta vs tors. theta energy: -128.238 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: 4 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1448.014096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.014096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.014096 (E_RNA) where: Base-Base interactions energy: -1046.509 where: short stacking energy: -401.169 Base-Backbone interact. energy: -0.905 local terms energy: -400.599771 where: bonds (distance) C4'-P energy: -67.183 bonds (distance) P-C4' energy: -78.712 flat angles C4'-P-C4' energy: -83.416 flat angles P-C4'-P energy: -52.807 tors. eta vs tors. theta energy: -118.481 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: 1 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1422.489715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.489715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.489715 (E_RNA) where: Base-Base interactions energy: -1036.688 where: short stacking energy: -405.694 Base-Backbone interact. energy: 0.305 local terms energy: -386.106853 where: bonds (distance) C4'-P energy: -53.837 bonds (distance) P-C4' energy: -74.097 flat angles C4'-P-C4' energy: -82.724 flat angles P-C4'-P energy: -63.389 tors. eta vs tors. theta energy: -112.060 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: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1400.541718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.541718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.541718 (E_RNA) where: Base-Base interactions energy: -1008.353 where: short stacking energy: -382.877 Base-Backbone interact. energy: -0.845 local terms energy: -391.344448 where: bonds (distance) C4'-P energy: -72.587 bonds (distance) P-C4' energy: -67.155 flat angles C4'-P-C4' energy: -75.005 flat angles P-C4'-P energy: -60.081 tors. eta vs tors. theta energy: -116.517 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: 3 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1322.070717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.070717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.070717 (E_RNA) where: Base-Base interactions energy: -943.430 where: short stacking energy: -371.041 Base-Backbone interact. energy: 1.840 local terms energy: -380.481031 where: bonds (distance) C4'-P energy: -77.718 bonds (distance) P-C4' energy: -76.741 flat angles C4'-P-C4' energy: -64.815 flat angles P-C4'-P energy: -53.034 tors. eta vs tors. theta energy: -108.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1273.262130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.262130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.262130 (E_RNA) where: Base-Base interactions energy: -926.163 where: short stacking energy: -352.321 Base-Backbone interact. energy: -0.835 local terms energy: -346.264906 where: bonds (distance) C4'-P energy: -68.472 bonds (distance) P-C4' energy: -50.878 flat angles C4'-P-C4' energy: -74.746 flat angles P-C4'-P energy: -49.399 tors. eta vs tors. theta energy: -102.769 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: 2 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1199.966283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.966283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.966283 (E_RNA) where: Base-Base interactions energy: -843.899 where: short stacking energy: -329.561 Base-Backbone interact. energy: -0.734 local terms energy: -355.333253 where: bonds (distance) C4'-P energy: -68.786 bonds (distance) P-C4' energy: -65.477 flat angles C4'-P-C4' energy: -77.854 flat angles P-C4'-P energy: -44.390 tors. eta vs tors. theta energy: -98.826 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: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -1049.127973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.127973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.127973 (E_RNA) where: Base-Base interactions energy: -726.137 where: short stacking energy: -276.444 Base-Backbone interact. energy: 0.955 local terms energy: -323.946016 where: bonds (distance) C4'-P energy: -65.426 bonds (distance) P-C4' energy: -60.126 flat angles C4'-P-C4' energy: -67.804 flat angles P-C4'-P energy: -43.208 tors. eta vs tors. theta energy: -87.381 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: 195 Temperature: 0.900000 Total energy: -1689.556309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.556309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.556309 (E_RNA) where: Base-Base interactions energy: -1240.162 where: short stacking energy: -482.092 Base-Backbone interact. energy: 0.195 local terms energy: -449.589124 where: bonds (distance) C4'-P energy: -74.834 bonds (distance) P-C4' energy: -74.926 flat angles C4'-P-C4' energy: -88.256 flat angles P-C4'-P energy: -67.769 tors. eta vs tors. theta energy: -143.805 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: 195 Temperature: 0.950000 Total energy: -1575.180423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.180423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.180423 (E_RNA) where: Base-Base interactions energy: -1147.657 where: short stacking energy: -443.179 Base-Backbone interact. energy: 0.042 local terms energy: -427.566027 where: bonds (distance) C4'-P energy: -74.904 bonds (distance) P-C4' energy: -74.984 flat angles C4'-P-C4' energy: -89.421 flat angles P-C4'-P energy: -61.799 tors. eta vs tors. theta energy: -126.458 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: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1542.612218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.612218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.612218 (E_RNA) where: Base-Base interactions energy: -1120.821 where: short stacking energy: -454.801 Base-Backbone interact. energy: -0.858 local terms energy: -420.933176 where: bonds (distance) C4'-P energy: -62.557 bonds (distance) P-C4' energy: -68.474 flat angles C4'-P-C4' energy: -88.882 flat angles P-C4'-P energy: -69.120 tors. eta vs tors. theta energy: -131.900 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: 4, replica: 1 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1454.232530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.232530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.232530 (E_RNA) where: Base-Base interactions energy: -1049.307 where: short stacking energy: -404.077 Base-Backbone interact. energy: -1.388 local terms energy: -403.537110 where: bonds (distance) C4'-P energy: -73.244 bonds (distance) P-C4' energy: -67.743 flat angles C4'-P-C4' energy: -81.873 flat angles P-C4'-P energy: -67.307 tors. eta vs tors. theta energy: -113.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1454.597767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.597767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.597767 (E_RNA) where: Base-Base interactions energy: -1062.530 where: short stacking energy: -396.906 Base-Backbone interact. energy: 0.279 local terms energy: -392.346415 where: bonds (distance) C4'-P energy: -67.844 bonds (distance) P-C4' energy: -62.485 flat angles C4'-P-C4' energy: -92.129 flat angles P-C4'-P energy: -55.113 tors. eta vs tors. theta energy: -114.775 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: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1417.060940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.060940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.060940 (E_RNA) where: Base-Base interactions energy: -1030.787 where: short stacking energy: -382.393 Base-Backbone interact. energy: -1.208 local terms energy: -385.065598 where: bonds (distance) C4'-P energy: -58.883 bonds (distance) P-C4' energy: -72.530 flat angles C4'-P-C4' energy: -79.721 flat angles P-C4'-P energy: -52.589 tors. eta vs tors. theta energy: -121.344 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: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1367.204750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.204750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.204750 (E_RNA) where: Base-Base interactions energy: -961.706 where: short stacking energy: -383.152 Base-Backbone interact. energy: -1.679 local terms energy: -403.819640 where: bonds (distance) C4'-P energy: -60.613 bonds (distance) P-C4' energy: -76.374 flat angles C4'-P-C4' energy: -88.497 flat angles P-C4'-P energy: -65.703 tors. eta vs tors. theta energy: -112.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1277.477277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.477277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.477277 (E_RNA) where: Base-Base interactions energy: -957.056 where: short stacking energy: -358.261 Base-Backbone interact. energy: 3.696 local terms energy: -324.117647 where: bonds (distance) C4'-P energy: -47.096 bonds (distance) P-C4' energy: -45.766 flat angles C4'-P-C4' energy: -74.619 flat angles P-C4'-P energy: -49.184 tors. eta vs tors. theta energy: -107.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1166.905531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.905531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.905531 (E_RNA) where: Base-Base interactions energy: -837.344 where: short stacking energy: -329.976 Base-Backbone interact. energy: 1.307 local terms energy: -330.868481 where: bonds (distance) C4'-P energy: -54.337 bonds (distance) P-C4' energy: -64.522 flat angles C4'-P-C4' energy: -75.661 flat angles P-C4'-P energy: -44.815 tors. eta vs tors. theta energy: -91.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -1011.688494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.688494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.688494 (E_RNA) where: Base-Base interactions energy: -724.120 where: short stacking energy: -291.742 Base-Backbone interact. energy: 0.125 local terms energy: -287.693251 where: bonds (distance) C4'-P energy: -46.837 bonds (distance) P-C4' energy: -59.801 flat angles C4'-P-C4' energy: -69.258 flat angles P-C4'-P energy: -36.343 tors. eta vs tors. theta energy: -75.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1677.105829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.105829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.105829 (E_RNA) where: Base-Base interactions energy: -1215.408 where: short stacking energy: -472.706 Base-Backbone interact. energy: -0.556 local terms energy: -461.141562 where: bonds (distance) C4'-P energy: -77.817 bonds (distance) P-C4' energy: -80.199 flat angles C4'-P-C4' energy: -94.974 flat angles P-C4'-P energy: -64.054 tors. eta vs tors. theta energy: -144.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1582.966107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.966107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.966107 (E_RNA) where: Base-Base interactions energy: -1161.380 where: short stacking energy: -444.350 Base-Backbone interact. energy: -2.319 local terms energy: -419.267745 where: bonds (distance) C4'-P energy: -70.880 bonds (distance) P-C4' energy: -71.341 flat angles C4'-P-C4' energy: -92.051 flat angles P-C4'-P energy: -64.706 tors. eta vs tors. theta energy: -120.291 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: 10 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1556.238798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.238798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.238798 (E_RNA) where: Base-Base interactions energy: -1113.922 where: short stacking energy: -440.018 Base-Backbone interact. energy: 1.810 local terms energy: -444.126559 where: bonds (distance) C4'-P energy: -74.312 bonds (distance) P-C4' energy: -83.077 flat angles C4'-P-C4' energy: -85.921 flat angles P-C4'-P energy: -65.248 tors. eta vs tors. theta energy: -135.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1460.658005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.658005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.658005 (E_RNA) where: Base-Base interactions energy: -1067.826 where: short stacking energy: -405.818 Base-Backbone interact. energy: 0.161 local terms energy: -392.992774 where: bonds (distance) C4'-P energy: -58.940 bonds (distance) P-C4' energy: -72.805 flat angles C4'-P-C4' energy: -87.100 flat angles P-C4'-P energy: -57.064 tors. eta vs tors. theta energy: -117.084 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: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1451.137470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.137470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.137470 (E_RNA) where: Base-Base interactions energy: -1053.112 where: short stacking energy: -406.352 Base-Backbone interact. energy: -1.305 local terms energy: -396.720127 where: bonds (distance) C4'-P energy: -73.248 bonds (distance) P-C4' energy: -71.320 flat angles C4'-P-C4' energy: -82.100 flat angles P-C4'-P energy: -52.493 tors. eta vs tors. theta energy: -117.558 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: 4 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1408.869950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.869950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.869950 (E_RNA) where: Base-Base interactions energy: -1013.645 where: short stacking energy: -390.709 Base-Backbone interact. energy: -1.132 local terms energy: -394.093046 where: bonds (distance) C4'-P energy: -75.537 bonds (distance) P-C4' energy: -56.803 flat angles C4'-P-C4' energy: -85.311 flat angles P-C4'-P energy: -60.307 tors. eta vs tors. theta energy: -116.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1277.404650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.404650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.404650 (E_RNA) where: Base-Base interactions energy: -911.459 where: short stacking energy: -361.964 Base-Backbone interact. energy: -0.474 local terms energy: -365.472005 where: bonds (distance) C4'-P energy: -51.958 bonds (distance) P-C4' energy: -70.165 flat angles C4'-P-C4' energy: -84.278 flat angles P-C4'-P energy: -50.766 tors. eta vs tors. theta energy: -108.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1333.963171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.963171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.963171 (E_RNA) where: Base-Base interactions energy: -963.974 where: short stacking energy: -381.520 Base-Backbone interact. energy: -0.868 local terms energy: -369.120821 where: bonds (distance) C4'-P energy: -62.638 bonds (distance) P-C4' energy: -56.051 flat angles C4'-P-C4' energy: -77.158 flat angles P-C4'-P energy: -60.664 tors. eta vs tors. theta energy: -112.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1168.012498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.012498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.012498 (E_RNA) where: Base-Base interactions energy: -848.969 where: short stacking energy: -345.517 Base-Backbone interact. energy: -2.001 local terms energy: -317.042593 where: bonds (distance) C4'-P energy: -41.255 bonds (distance) P-C4' energy: -64.315 flat angles C4'-P-C4' energy: -80.300 flat angles P-C4'-P energy: -40.444 tors. eta vs tors. theta energy: -90.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -1028.699308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.699308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.699308 (E_RNA) where: Base-Base interactions energy: -734.403 where: short stacking energy: -292.642 Base-Backbone interact. energy: 3.559 local terms energy: -297.855173 where: bonds (distance) C4'-P energy: -50.944 bonds (distance) P-C4' energy: -72.744 flat angles C4'-P-C4' energy: -58.304 flat angles P-C4'-P energy: -43.629 tors. eta vs tors. theta energy: -72.234 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: 5 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1682.768887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.768887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.768887 (E_RNA) where: Base-Base interactions energy: -1228.912 where: short stacking energy: -480.499 Base-Backbone interact. energy: -0.110 local terms energy: -453.747021 where: bonds (distance) C4'-P energy: -78.250 bonds (distance) P-C4' energy: -72.971 flat angles C4'-P-C4' energy: -89.772 flat angles P-C4'-P energy: -66.167 tors. eta vs tors. theta energy: -146.587 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: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1583.741722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.741722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.741722 (E_RNA) where: Base-Base interactions energy: -1153.957 where: short stacking energy: -461.543 Base-Backbone interact. energy: -0.680 local terms energy: -429.104382 where: bonds (distance) C4'-P energy: -70.338 bonds (distance) P-C4' energy: -72.165 flat angles C4'-P-C4' energy: -92.001 flat angles P-C4'-P energy: -61.574 tors. eta vs tors. theta energy: -133.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1564.605590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.605590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.605590 (E_RNA) where: Base-Base interactions energy: -1143.789 where: short stacking energy: -435.807 Base-Backbone interact. energy: -1.445 local terms energy: -419.372208 where: bonds (distance) C4'-P energy: -60.468 bonds (distance) P-C4' energy: -75.661 flat angles C4'-P-C4' energy: -92.201 flat angles P-C4'-P energy: -62.589 tors. eta vs tors. theta energy: -128.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1456.909369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.909369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.909369 (E_RNA) where: Base-Base interactions energy: -1066.483 where: short stacking energy: -413.395 Base-Backbone interact. energy: -2.490 local terms energy: -387.936714 where: bonds (distance) C4'-P energy: -67.023 bonds (distance) P-C4' energy: -65.416 flat angles C4'-P-C4' energy: -81.536 flat angles P-C4'-P energy: -54.338 tors. eta vs tors. theta energy: -119.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1450.093894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.093894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.093894 (E_RNA) where: Base-Base interactions energy: -1058.365 where: short stacking energy: -409.654 Base-Backbone interact. energy: -1.010 local terms energy: -390.718883 where: bonds (distance) C4'-P energy: -71.030 bonds (distance) P-C4' energy: -65.335 flat angles C4'-P-C4' energy: -79.474 flat angles P-C4'-P energy: -60.191 tors. eta vs tors. theta energy: -114.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1404.498506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.498506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.498506 (E_RNA) where: Base-Base interactions energy: -1004.546 where: short stacking energy: -398.030 Base-Backbone interact. energy: -0.796 local terms energy: -399.156695 where: bonds (distance) C4'-P energy: -65.610 bonds (distance) P-C4' energy: -81.247 flat angles C4'-P-C4' energy: -76.713 flat angles P-C4'-P energy: -58.138 tors. eta vs tors. theta energy: -117.449 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: 7 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1303.936050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.936050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.936050 (E_RNA) where: Base-Base interactions energy: -958.577 where: short stacking energy: -366.114 Base-Backbone interact. energy: 0.681 local terms energy: -346.039988 where: bonds (distance) C4'-P energy: -58.329 bonds (distance) P-C4' energy: -59.988 flat angles C4'-P-C4' energy: -74.312 flat angles P-C4'-P energy: -49.886 tors. eta vs tors. theta energy: -103.524 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: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1312.770172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.770172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.770172 (E_RNA) where: Base-Base interactions energy: -948.603 where: short stacking energy: -368.673 Base-Backbone interact. energy: -0.449 local terms energy: -363.718414 where: bonds (distance) C4'-P energy: -62.912 bonds (distance) P-C4' energy: -68.864 flat angles C4'-P-C4' energy: -72.268 flat angles P-C4'-P energy: -47.038 tors. eta vs tors. theta energy: -112.637 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: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1145.723164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.723164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.723164 (E_RNA) where: Base-Base interactions energy: -814.674 where: short stacking energy: -320.475 Base-Backbone interact. energy: -2.964 local terms energy: -328.084636 where: bonds (distance) C4'-P energy: -69.066 bonds (distance) P-C4' energy: -69.403 flat angles C4'-P-C4' energy: -68.078 flat angles P-C4'-P energy: -40.533 tors. eta vs tors. theta energy: -81.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1098.721165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.721165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.721165 (E_RNA) where: Base-Base interactions energy: -775.585 where: short stacking energy: -307.664 Base-Backbone interact. energy: 0.381 local terms energy: -323.517747 where: bonds (distance) C4'-P energy: -67.286 bonds (distance) P-C4' energy: -54.841 flat angles C4'-P-C4' energy: -65.856 flat angles P-C4'-P energy: -42.319 tors. eta vs tors. theta energy: -93.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1673.959103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.959103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.959103 (E_RNA) where: Base-Base interactions energy: -1223.110 where: short stacking energy: -478.217 Base-Backbone interact. energy: -0.401 local terms energy: -450.448586 where: bonds (distance) C4'-P energy: -80.114 bonds (distance) P-C4' energy: -75.591 flat angles C4'-P-C4' energy: -87.332 flat angles P-C4'-P energy: -61.064 tors. eta vs tors. theta energy: -146.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1557.011669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.011669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.011669 (E_RNA) where: Base-Base interactions energy: -1118.832 where: short stacking energy: -445.640 Base-Backbone interact. energy: -1.889 local terms energy: -436.291064 where: bonds (distance) C4'-P energy: -76.365 bonds (distance) P-C4' energy: -74.721 flat angles C4'-P-C4' energy: -91.921 flat angles P-C4'-P energy: -66.141 tors. eta vs tors. theta energy: -127.143 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: 198 Temperature: 1.000000 Total energy: -1559.613120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.613120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.613120 (E_RNA) where: Base-Base interactions energy: -1139.282 where: short stacking energy: -428.447 Base-Backbone interact. energy: 3.337 local terms energy: -423.668250 where: bonds (distance) C4'-P energy: -76.127 bonds (distance) P-C4' energy: -79.629 flat angles C4'-P-C4' energy: -85.004 flat angles P-C4'-P energy: -60.044 tors. eta vs tors. theta energy: -122.864 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: 6 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1458.872762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.872762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.872762 (E_RNA) where: Base-Base interactions energy: -1066.146 where: short stacking energy: -407.790 Base-Backbone interact. energy: -1.152 local terms energy: -391.573992 where: bonds (distance) C4'-P energy: -74.412 bonds (distance) P-C4' energy: -63.083 flat angles C4'-P-C4' energy: -87.122 flat angles P-C4'-P energy: -50.132 tors. eta vs tors. theta energy: -116.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1440.761740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.761740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.761740 (E_RNA) where: Base-Base interactions energy: -1033.157 where: short stacking energy: -391.106 Base-Backbone interact. energy: -0.208 local terms energy: -407.397223 where: bonds (distance) C4'-P energy: -83.074 bonds (distance) P-C4' energy: -67.431 flat angles C4'-P-C4' energy: -75.440 flat angles P-C4'-P energy: -63.493 tors. eta vs tors. theta energy: -117.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1399.243907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.243907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.243907 (E_RNA) where: Base-Base interactions energy: -1029.082 where: short stacking energy: -392.794 Base-Backbone interact. energy: -0.580 local terms energy: -369.581556 where: bonds (distance) C4'-P energy: -59.164 bonds (distance) P-C4' energy: -57.940 flat angles C4'-P-C4' energy: -77.555 flat angles P-C4'-P energy: -57.146 tors. eta vs tors. theta energy: -117.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1352.452131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.452131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.452131 (E_RNA) where: Base-Base interactions energy: -963.705 where: short stacking energy: -380.750 Base-Backbone interact. energy: 0.680 local terms energy: -389.427501 where: bonds (distance) C4'-P energy: -67.558 bonds (distance) P-C4' energy: -61.283 flat angles C4'-P-C4' energy: -79.368 flat angles P-C4'-P energy: -62.646 tors. eta vs tors. theta energy: -118.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1299.007523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.007523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.007523 (E_RNA) where: Base-Base interactions energy: -961.024 where: short stacking energy: -365.293 Base-Backbone interact. energy: 0.006 local terms energy: -337.989026 where: bonds (distance) C4'-P energy: -57.382 bonds (distance) P-C4' energy: -49.689 flat angles C4'-P-C4' energy: -71.455 flat angles P-C4'-P energy: -57.508 tors. eta vs tors. theta energy: -101.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1177.559551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.559551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.559551 (E_RNA) where: Base-Base interactions energy: -846.873 where: short stacking energy: -329.359 Base-Backbone interact. energy: -0.683 local terms energy: -330.004211 where: bonds (distance) C4'-P energy: -61.688 bonds (distance) P-C4' energy: -53.437 flat angles C4'-P-C4' energy: -75.083 flat angles P-C4'-P energy: -51.249 tors. eta vs tors. theta energy: -88.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -1072.231242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.231242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.231242 (E_RNA) where: Base-Base interactions energy: -762.187 where: short stacking energy: -314.802 Base-Backbone interact. energy: -1.181 local terms energy: -308.863600 where: bonds (distance) C4'-P energy: -56.582 bonds (distance) P-C4' energy: -45.096 flat angles C4'-P-C4' energy: -74.185 flat angles P-C4'-P energy: -44.527 tors. eta vs tors. theta energy: -88.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1674.243997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.243997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.243997 (E_RNA) where: Base-Base interactions energy: -1221.632 where: short stacking energy: -487.656 Base-Backbone interact. energy: 1.639 local terms energy: -454.251479 where: bonds (distance) C4'-P energy: -66.118 bonds (distance) P-C4' energy: -78.498 flat angles C4'-P-C4' energy: -88.907 flat angles P-C4'-P energy: -72.529 tors. eta vs tors. theta energy: -148.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1605.227130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.227130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.227130 (E_RNA) where: Base-Base interactions energy: -1174.683 where: short stacking energy: -451.158 Base-Backbone interact. energy: -0.808 local terms energy: -429.735938 where: bonds (distance) C4'-P energy: -74.065 bonds (distance) P-C4' energy: -77.923 flat angles C4'-P-C4' energy: -90.739 flat angles P-C4'-P energy: -64.116 tors. eta vs tors. theta energy: -122.893 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: 10 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1534.292201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.292201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.292201 (E_RNA) where: Base-Base interactions energy: -1119.554 where: short stacking energy: -446.834 Base-Backbone interact. energy: -0.075 local terms energy: -414.663494 where: bonds (distance) C4'-P energy: -64.448 bonds (distance) P-C4' energy: -72.000 flat angles C4'-P-C4' energy: -85.750 flat angles P-C4'-P energy: -66.307 tors. eta vs tors. theta energy: -126.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1482.932904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.932904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.932904 (E_RNA) where: Base-Base interactions energy: -1106.957 where: short stacking energy: -422.167 Base-Backbone interact. energy: 0.297 local terms energy: -376.272230 where: bonds (distance) C4'-P energy: -59.355 bonds (distance) P-C4' energy: -70.503 flat angles C4'-P-C4' energy: -80.967 flat angles P-C4'-P energy: -58.405 tors. eta vs tors. theta energy: -107.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1432.702749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.702749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.702749 (E_RNA) where: Base-Base interactions energy: -1040.915 where: short stacking energy: -396.480 Base-Backbone interact. energy: 3.734 local terms energy: -395.521540 where: bonds (distance) C4'-P energy: -66.555 bonds (distance) P-C4' energy: -75.822 flat angles C4'-P-C4' energy: -78.428 flat angles P-C4'-P energy: -63.281 tors. eta vs tors. theta energy: -111.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1406.547613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.547613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.547613 (E_RNA) where: Base-Base interactions energy: -1013.707 where: short stacking energy: -389.742 Base-Backbone interact. energy: -2.918 local terms energy: -389.921837 where: bonds (distance) C4'-P energy: -64.718 bonds (distance) P-C4' energy: -75.479 flat angles C4'-P-C4' energy: -77.588 flat angles P-C4'-P energy: -58.306 tors. eta vs tors. theta energy: -113.832 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: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1354.890619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.890619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.890619 (E_RNA) where: Base-Base interactions energy: -972.775 where: short stacking energy: -391.003 Base-Backbone interact. energy: 1.109 local terms energy: -383.224948 where: bonds (distance) C4'-P energy: -56.449 bonds (distance) P-C4' energy: -67.034 flat angles C4'-P-C4' energy: -89.131 flat angles P-C4'-P energy: -59.309 tors. eta vs tors. theta energy: -111.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1259.552679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.552679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.552679 (E_RNA) where: Base-Base interactions energy: -908.610 where: short stacking energy: -358.562 Base-Backbone interact. energy: -0.963 local terms energy: -349.978930 where: bonds (distance) C4'-P energy: -65.827 bonds (distance) P-C4' energy: -55.106 flat angles C4'-P-C4' energy: -75.492 flat angles P-C4'-P energy: -46.628 tors. eta vs tors. theta energy: -106.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1184.002163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.002163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.002163 (E_RNA) where: Base-Base interactions energy: -854.777 where: short stacking energy: -337.010 Base-Backbone interact. energy: 0.044 local terms energy: -329.269741 where: bonds (distance) C4'-P energy: -57.778 bonds (distance) P-C4' energy: -78.944 flat angles C4'-P-C4' energy: -58.727 flat angles P-C4'-P energy: -45.161 tors. eta vs tors. theta energy: -88.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1047.242224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.242224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.242224 (E_RNA) where: Base-Base interactions energy: -736.158 where: short stacking energy: -295.731 Base-Backbone interact. energy: -0.646 local terms energy: -310.438237 where: bonds (distance) C4'-P energy: -57.460 bonds (distance) P-C4' energy: -73.397 flat angles C4'-P-C4' energy: -69.982 flat angles P-C4'-P energy: -28.227 tors. eta vs tors. theta energy: -81.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1665.044428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.044428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.044428 (E_RNA) where: Base-Base interactions energy: -1221.705 where: short stacking energy: -483.660 Base-Backbone interact. energy: -0.165 local terms energy: -443.174266 where: bonds (distance) C4'-P energy: -72.632 bonds (distance) P-C4' energy: -69.707 flat angles C4'-P-C4' energy: -90.194 flat angles P-C4'-P energy: -66.423 tors. eta vs tors. theta energy: -144.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1583.899036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.899036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.899036 (E_RNA) where: Base-Base interactions energy: -1164.127 where: short stacking energy: -443.022 Base-Backbone interact. energy: -1.221 local terms energy: -418.550972 where: bonds (distance) C4'-P energy: -71.186 bonds (distance) P-C4' energy: -67.167 flat angles C4'-P-C4' energy: -95.251 flat angles P-C4'-P energy: -60.835 tors. eta vs tors. theta energy: -124.112 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: 10 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1550.583760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.583760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.583760 (E_RNA) where: Base-Base interactions energy: -1137.729 where: short stacking energy: -456.838 Base-Backbone interact. energy: -1.090 local terms energy: -411.765162 where: bonds (distance) C4'-P energy: -66.192 bonds (distance) P-C4' energy: -69.950 flat angles C4'-P-C4' energy: -93.314 flat angles P-C4'-P energy: -51.226 tors. eta vs tors. theta energy: -131.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1490.327687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.327687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.327687 (E_RNA) where: Base-Base interactions energy: -1098.143 where: short stacking energy: -420.107 Base-Backbone interact. energy: -1.793 local terms energy: -390.391167 where: bonds (distance) C4'-P energy: -65.357 bonds (distance) P-C4' energy: -63.852 flat angles C4'-P-C4' energy: -84.189 flat angles P-C4'-P energy: -59.516 tors. eta vs tors. theta energy: -117.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1414.196058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.196058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.196058 (E_RNA) where: Base-Base interactions energy: -1029.217 where: short stacking energy: -404.729 Base-Backbone interact. energy: -1.164 local terms energy: -383.814626 where: bonds (distance) C4'-P energy: -61.749 bonds (distance) P-C4' energy: -64.526 flat angles C4'-P-C4' energy: -79.866 flat angles P-C4'-P energy: -59.171 tors. eta vs tors. theta energy: -118.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1397.355610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.355610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.355610 (E_RNA) where: Base-Base interactions energy: -997.347 where: short stacking energy: -381.373 Base-Backbone interact. energy: 0.360 local terms energy: -400.368367 where: bonds (distance) C4'-P energy: -63.207 bonds (distance) P-C4' energy: -71.523 flat angles C4'-P-C4' energy: -83.764 flat angles P-C4'-P energy: -63.345 tors. eta vs tors. theta energy: -118.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1347.087160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.087160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.087160 (E_RNA) where: Base-Base interactions energy: -954.679 where: short stacking energy: -370.834 Base-Backbone interact. energy: -1.287 local terms energy: -391.121325 where: bonds (distance) C4'-P energy: -69.676 bonds (distance) P-C4' energy: -72.563 flat angles C4'-P-C4' energy: -79.287 flat angles P-C4'-P energy: -56.037 tors. eta vs tors. theta energy: -113.558 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: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1296.247122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.247122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.247122 (E_RNA) where: Base-Base interactions energy: -914.121 where: short stacking energy: -358.996 Base-Backbone interact. energy: -0.748 local terms energy: -381.378678 where: bonds (distance) C4'-P energy: -70.695 bonds (distance) P-C4' energy: -62.471 flat angles C4'-P-C4' energy: -87.301 flat angles P-C4'-P energy: -53.120 tors. eta vs tors. theta energy: -107.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1167.768720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.768720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.768720 (E_RNA) where: Base-Base interactions energy: -829.796 where: short stacking energy: -317.643 Base-Backbone interact. energy: 3.482 local terms energy: -341.454607 where: bonds (distance) C4'-P energy: -60.964 bonds (distance) P-C4' energy: -59.153 flat angles C4'-P-C4' energy: -91.412 flat angles P-C4'-P energy: -47.269 tors. eta vs tors. theta energy: -82.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -1025.276215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.276215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.276215 (E_RNA) where: Base-Base interactions energy: -730.491 where: short stacking energy: -282.285 Base-Backbone interact. energy: -0.402 local terms energy: -294.384075 where: bonds (distance) C4'-P energy: -54.207 bonds (distance) P-C4' energy: -50.777 flat angles C4'-P-C4' energy: -75.188 flat angles P-C4'-P energy: -42.970 tors. eta vs tors. theta energy: -71.243 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: 5 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1696.459490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.459490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.459490 (E_RNA) where: Base-Base interactions energy: -1236.693 where: short stacking energy: -489.496 Base-Backbone interact. energy: -0.301 local terms energy: -459.465480 where: bonds (distance) C4'-P energy: -72.603 bonds (distance) P-C4' energy: -76.676 flat angles C4'-P-C4' energy: -95.855 flat angles P-C4'-P energy: -66.733 tors. eta vs tors. theta energy: -147.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1578.522666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.522666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.522666 (E_RNA) where: Base-Base interactions energy: -1124.831 where: short stacking energy: -448.924 Base-Backbone interact. energy: -0.501 local terms energy: -453.190202 where: bonds (distance) C4'-P energy: -67.817 bonds (distance) P-C4' energy: -85.906 flat angles C4'-P-C4' energy: -98.595 flat angles P-C4'-P energy: -64.613 tors. eta vs tors. theta energy: -136.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1539.909258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.909258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.909258 (E_RNA) where: Base-Base interactions energy: -1133.475 where: short stacking energy: -427.125 Base-Backbone interact. energy: -1.573 local terms energy: -404.861404 where: bonds (distance) C4'-P energy: -61.902 bonds (distance) P-C4' energy: -66.602 flat angles C4'-P-C4' energy: -90.897 flat angles P-C4'-P energy: -62.365 tors. eta vs tors. theta energy: -123.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1468.079817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.079817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.079817 (E_RNA) where: Base-Base interactions energy: -1087.101 where: short stacking energy: -424.393 Base-Backbone interact. energy: -0.787 local terms energy: -380.192335 where: bonds (distance) C4'-P energy: -61.390 bonds (distance) P-C4' energy: -59.758 flat angles C4'-P-C4' energy: -81.017 flat angles P-C4'-P energy: -58.340 tors. eta vs tors. theta energy: -119.687 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: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1461.608784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.608784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.608784 (E_RNA) where: Base-Base interactions energy: -1060.539 where: short stacking energy: -405.274 Base-Backbone interact. energy: 2.260 local terms energy: -403.329948 where: bonds (distance) C4'-P energy: -69.706 bonds (distance) P-C4' energy: -75.543 flat angles C4'-P-C4' energy: -76.916 flat angles P-C4'-P energy: -64.723 tors. eta vs tors. theta energy: -116.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1411.079283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.079283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.079283 (E_RNA) where: Base-Base interactions energy: -1029.139 where: short stacking energy: -401.368 Base-Backbone interact. energy: -1.454 local terms energy: -380.486495 where: bonds (distance) C4'-P energy: -62.805 bonds (distance) P-C4' energy: -69.786 flat angles C4'-P-C4' energy: -75.963 flat angles P-C4'-P energy: -62.926 tors. eta vs tors. theta energy: -109.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1346.184023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.184023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.184023 (E_RNA) where: Base-Base interactions energy: -972.291 where: short stacking energy: -391.404 Base-Backbone interact. energy: -0.584 local terms energy: -373.308849 where: bonds (distance) C4'-P energy: -59.328 bonds (distance) P-C4' energy: -68.384 flat angles C4'-P-C4' energy: -81.628 flat angles P-C4'-P energy: -57.575 tors. eta vs tors. theta energy: -106.394 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: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1283.609392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.609392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.609392 (E_RNA) where: Base-Base interactions energy: -935.746 where: short stacking energy: -369.235 Base-Backbone interact. energy: 0.611 local terms energy: -348.474151 where: bonds (distance) C4'-P energy: -66.332 bonds (distance) P-C4' energy: -52.085 flat angles C4'-P-C4' energy: -73.021 flat angles P-C4'-P energy: -49.915 tors. eta vs tors. theta energy: -107.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1189.736078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.736078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.736078 (E_RNA) where: Base-Base interactions energy: -835.965 where: short stacking energy: -338.038 Base-Backbone interact. energy: 2.152 local terms energy: -355.923395 where: bonds (distance) C4'-P energy: -69.100 bonds (distance) P-C4' energy: -62.056 flat angles C4'-P-C4' energy: -76.006 flat angles P-C4'-P energy: -52.443 tors. eta vs tors. theta energy: -96.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1066.772877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.772877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.772877 (E_RNA) where: Base-Base interactions energy: -743.427 where: short stacking energy: -298.151 Base-Backbone interact. energy: -0.952 local terms energy: -322.393869 where: bonds (distance) C4'-P energy: -50.316 bonds (distance) P-C4' energy: -66.001 flat angles C4'-P-C4' energy: -66.544 flat angles P-C4'-P energy: -53.743 tors. eta vs tors. theta energy: -85.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1686.785299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.785299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.785299 (E_RNA) where: Base-Base interactions energy: -1238.286 where: short stacking energy: -482.026 Base-Backbone interact. energy: -0.081 local terms energy: -448.418094 where: bonds (distance) C4'-P energy: -81.911 bonds (distance) P-C4' energy: -70.346 flat angles C4'-P-C4' energy: -92.516 flat angles P-C4'-P energy: -60.867 tors. eta vs tors. theta energy: -142.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1570.712945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.712945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.712945 (E_RNA) where: Base-Base interactions energy: -1135.045 where: short stacking energy: -454.945 Base-Backbone interact. energy: -0.351 local terms energy: -435.316856 where: bonds (distance) C4'-P energy: -74.062 bonds (distance) P-C4' energy: -75.931 flat angles C4'-P-C4' energy: -88.889 flat angles P-C4'-P energy: -65.179 tors. eta vs tors. theta energy: -131.256 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: 9 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1566.895600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.895600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.895600 (E_RNA) where: Base-Base interactions energy: -1159.648 where: short stacking energy: -437.740 Base-Backbone interact. energy: 0.852 local terms energy: -408.098873 where: bonds (distance) C4'-P energy: -69.698 bonds (distance) P-C4' energy: -67.741 flat angles C4'-P-C4' energy: -80.063 flat angles P-C4'-P energy: -68.192 tors. eta vs tors. theta energy: -122.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1457.969782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.969782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.969782 (E_RNA) where: Base-Base interactions energy: -1065.621 where: short stacking energy: -407.899 Base-Backbone interact. energy: 0.742 local terms energy: -393.091088 where: bonds (distance) C4'-P energy: -59.599 bonds (distance) P-C4' energy: -64.512 flat angles C4'-P-C4' energy: -80.905 flat angles P-C4'-P energy: -67.256 tors. eta vs tors. theta energy: -120.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1448.375731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.375731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.375731 (E_RNA) where: Base-Base interactions energy: -1074.268 where: short stacking energy: -404.358 Base-Backbone interact. energy: -0.177 local terms energy: -373.930096 where: bonds (distance) C4'-P energy: -62.115 bonds (distance) P-C4' energy: -65.852 flat angles C4'-P-C4' energy: -77.915 flat angles P-C4'-P energy: -53.104 tors. eta vs tors. theta energy: -114.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1416.623668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.623668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.623668 (E_RNA) where: Base-Base interactions energy: -1026.853 where: short stacking energy: -401.687 Base-Backbone interact. energy: -0.485 local terms energy: -389.285386 where: bonds (distance) C4'-P energy: -69.453 bonds (distance) P-C4' energy: -72.119 flat angles C4'-P-C4' energy: -84.228 flat angles P-C4'-P energy: -46.937 tors. eta vs tors. theta energy: -116.548 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: 7, replica: 7 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1308.712160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.712160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.712160 (E_RNA) where: Base-Base interactions energy: -933.503 where: short stacking energy: -366.398 Base-Backbone interact. energy: -1.478 local terms energy: -373.730786 where: bonds (distance) C4'-P energy: -58.186 bonds (distance) P-C4' energy: -68.848 flat angles C4'-P-C4' energy: -83.178 flat angles P-C4'-P energy: -57.385 tors. eta vs tors. theta energy: -106.133 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: 3 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1311.525683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.525683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.525683 (E_RNA) where: Base-Base interactions energy: -960.160 where: short stacking energy: -372.225 Base-Backbone interact. energy: 0.090 local terms energy: -351.455643 where: bonds (distance) C4'-P energy: -61.737 bonds (distance) P-C4' energy: -59.190 flat angles C4'-P-C4' energy: -70.079 flat angles P-C4'-P energy: -48.757 tors. eta vs tors. theta energy: -111.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1177.016613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.016613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.016613 (E_RNA) where: Base-Base interactions energy: -843.532 where: short stacking energy: -337.650 Base-Backbone interact. energy: 0.031 local terms energy: -333.515303 where: bonds (distance) C4'-P energy: -65.715 bonds (distance) P-C4' energy: -62.139 flat angles C4'-P-C4' energy: -65.525 flat angles P-C4'-P energy: -43.115 tors. eta vs tors. theta energy: -97.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -1020.498511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.498511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.498511 (E_RNA) where: Base-Base interactions energy: -726.521 where: short stacking energy: -306.974 Base-Backbone interact. energy: 2.471 local terms energy: -296.448754 where: bonds (distance) C4'-P energy: -44.415 bonds (distance) P-C4' energy: -61.484 flat angles C4'-P-C4' energy: -64.638 flat angles P-C4'-P energy: -54.174 tors. eta vs tors. theta energy: -71.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1686.675607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.675607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.675607 (E_RNA) where: Base-Base interactions energy: -1233.436 where: short stacking energy: -493.622 Base-Backbone interact. energy: -0.069 local terms energy: -453.170312 where: bonds (distance) C4'-P energy: -78.320 bonds (distance) P-C4' energy: -71.348 flat angles C4'-P-C4' energy: -92.071 flat angles P-C4'-P energy: -65.070 tors. eta vs tors. theta energy: -146.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1596.690820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.690820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.690820 (E_RNA) where: Base-Base interactions energy: -1150.952 where: short stacking energy: -451.760 Base-Backbone interact. energy: -0.791 local terms energy: -444.947509 where: bonds (distance) C4'-P energy: -79.371 bonds (distance) P-C4' energy: -67.839 flat angles C4'-P-C4' energy: -96.535 flat angles P-C4'-P energy: -65.848 tors. eta vs tors. theta energy: -135.355 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: 9 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1552.667618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.667618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.667618 (E_RNA) where: Base-Base interactions energy: -1133.902 where: short stacking energy: -422.499 Base-Backbone interact. energy: -1.359 local terms energy: -417.406468 where: bonds (distance) C4'-P energy: -70.362 bonds (distance) P-C4' energy: -73.075 flat angles C4'-P-C4' energy: -84.577 flat angles P-C4'-P energy: -62.736 tors. eta vs tors. theta energy: -126.657 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: 6 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1503.206621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.206621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.206621 (E_RNA) where: Base-Base interactions energy: -1109.951 where: short stacking energy: -420.118 Base-Backbone interact. energy: -2.396 local terms energy: -390.859841 where: bonds (distance) C4'-P energy: -61.723 bonds (distance) P-C4' energy: -68.630 flat angles C4'-P-C4' energy: -87.533 flat angles P-C4'-P energy: -53.251 tors. eta vs tors. theta energy: -119.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1451.893608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.893608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.893608 (E_RNA) where: Base-Base interactions energy: -1051.502 where: short stacking energy: -407.309 Base-Backbone interact. energy: -0.818 local terms energy: -399.574346 where: bonds (distance) C4'-P energy: -60.773 bonds (distance) P-C4' energy: -71.231 flat angles C4'-P-C4' energy: -87.777 flat angles P-C4'-P energy: -55.924 tors. eta vs tors. theta energy: -123.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1398.969780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.969780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.969780 (E_RNA) where: Base-Base interactions energy: -1017.366 where: short stacking energy: -379.523 Base-Backbone interact. energy: -0.031 local terms energy: -381.573415 where: bonds (distance) C4'-P energy: -72.476 bonds (distance) P-C4' energy: -75.130 flat angles C4'-P-C4' energy: -78.123 flat angles P-C4'-P energy: -47.895 tors. eta vs tors. theta energy: -107.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1291.966930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.966930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.966930 (E_RNA) where: Base-Base interactions energy: -929.229 where: short stacking energy: -367.199 Base-Backbone interact. energy: -1.125 local terms energy: -361.613127 where: bonds (distance) C4'-P energy: -59.902 bonds (distance) P-C4' energy: -74.063 flat angles C4'-P-C4' energy: -67.907 flat angles P-C4'-P energy: -45.249 tors. eta vs tors. theta energy: -114.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1297.629542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.629542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.629542 (E_RNA) where: Base-Base interactions energy: -946.312 where: short stacking energy: -367.484 Base-Backbone interact. energy: -0.321 local terms energy: -350.996214 where: bonds (distance) C4'-P energy: -56.356 bonds (distance) P-C4' energy: -68.685 flat angles C4'-P-C4' energy: -81.275 flat angles P-C4'-P energy: -46.483 tors. eta vs tors. theta energy: -98.196 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: 2 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1166.689829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.689829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.689829 (E_RNA) where: Base-Base interactions energy: -811.139 where: short stacking energy: -318.313 Base-Backbone interact. energy: -1.762 local terms energy: -353.788248 where: bonds (distance) C4'-P energy: -54.017 bonds (distance) P-C4' energy: -79.467 flat angles C4'-P-C4' energy: -75.224 flat angles P-C4'-P energy: -57.786 tors. eta vs tors. theta energy: -87.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -1070.891947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.891947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.891947 (E_RNA) where: Base-Base interactions energy: -755.108 where: short stacking energy: -307.159 Base-Backbone interact. energy: -1.254 local terms energy: -314.530018 where: bonds (distance) C4'-P energy: -51.790 bonds (distance) P-C4' energy: -54.226 flat angles C4'-P-C4' energy: -69.044 flat angles P-C4'-P energy: -46.425 tors. eta vs tors. theta energy: -93.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1679.772276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.772276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.772276 (E_RNA) where: Base-Base interactions energy: -1228.259 where: short stacking energy: -481.623 Base-Backbone interact. energy: -0.094 local terms energy: -451.419245 where: bonds (distance) C4'-P energy: -69.095 bonds (distance) P-C4' energy: -78.186 flat angles C4'-P-C4' energy: -91.783 flat angles P-C4'-P energy: -67.521 tors. eta vs tors. theta energy: -144.834 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: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1593.487091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.487091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.487091 (E_RNA) where: Base-Base interactions energy: -1135.928 where: short stacking energy: -445.339 Base-Backbone interact. energy: -1.202 local terms energy: -456.357541 where: bonds (distance) C4'-P energy: -82.469 bonds (distance) P-C4' energy: -82.019 flat angles C4'-P-C4' energy: -90.633 flat angles P-C4'-P energy: -66.978 tors. eta vs tors. theta energy: -134.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1564.288546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.288546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.288546 (E_RNA) where: Base-Base interactions energy: -1149.404 where: short stacking energy: -431.102 Base-Backbone interact. energy: 0.780 local terms energy: -415.663672 where: bonds (distance) C4'-P energy: -64.881 bonds (distance) P-C4' energy: -81.669 flat angles C4'-P-C4' energy: -93.529 flat angles P-C4'-P energy: -53.667 tors. eta vs tors. theta energy: -121.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1474.133763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.133763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.133763 (E_RNA) where: Base-Base interactions energy: -1087.156 where: short stacking energy: -405.104 Base-Backbone interact. energy: -1.286 local terms energy: -385.691534 where: bonds (distance) C4'-P energy: -64.080 bonds (distance) P-C4' energy: -75.486 flat angles C4'-P-C4' energy: -80.975 flat angles P-C4'-P energy: -48.524 tors. eta vs tors. theta energy: -116.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1435.090357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.090357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.090357 (E_RNA) where: Base-Base interactions energy: -1044.167 where: short stacking energy: -401.608 Base-Backbone interact. energy: -0.999 local terms energy: -389.924328 where: bonds (distance) C4'-P energy: -74.559 bonds (distance) P-C4' energy: -60.472 flat angles C4'-P-C4' energy: -78.222 flat angles P-C4'-P energy: -61.842 tors. eta vs tors. theta energy: -114.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1396.909038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.909038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.909038 (E_RNA) where: Base-Base interactions energy: -1011.557 where: short stacking energy: -396.722 Base-Backbone interact. energy: -0.982 local terms energy: -384.369876 where: bonds (distance) C4'-P energy: -64.621 bonds (distance) P-C4' energy: -74.274 flat angles C4'-P-C4' energy: -73.018 flat angles P-C4'-P energy: -56.861 tors. eta vs tors. theta energy: -115.596 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: 7, replica: 7 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1277.559444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.559444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.559444 (E_RNA) where: Base-Base interactions energy: -918.223 where: short stacking energy: -351.991 Base-Backbone interact. energy: -1.495 local terms energy: -357.841675 where: bonds (distance) C4'-P energy: -62.758 bonds (distance) P-C4' energy: -62.865 flat angles C4'-P-C4' energy: -79.209 flat angles P-C4'-P energy: -45.519 tors. eta vs tors. theta energy: -107.490 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: 8, replica: 3 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1299.286555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.286555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.286555 (E_RNA) where: Base-Base interactions energy: -954.852 where: short stacking energy: -366.928 Base-Backbone interact. energy: 0.314 local terms energy: -344.748846 where: bonds (distance) C4'-P energy: -45.727 bonds (distance) P-C4' energy: -65.316 flat angles C4'-P-C4' energy: -76.281 flat angles P-C4'-P energy: -51.449 tors. eta vs tors. theta energy: -105.975 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: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1201.300512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.300512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.300512 (E_RNA) where: Base-Base interactions energy: -852.784 where: short stacking energy: -333.495 Base-Backbone interact. energy: -0.803 local terms energy: -347.713546 where: bonds (distance) C4'-P energy: -58.873 bonds (distance) P-C4' energy: -63.129 flat angles C4'-P-C4' energy: -73.622 flat angles P-C4'-P energy: -54.391 tors. eta vs tors. theta energy: -97.699 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: 204 Temperature: 1.350000 Total energy: -1092.383324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.383324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.383324 (E_RNA) where: Base-Base interactions energy: -794.968 where: short stacking energy: -308.370 Base-Backbone interact. energy: -1.918 local terms energy: -295.497736 where: bonds (distance) C4'-P energy: -57.790 bonds (distance) P-C4' energy: -44.939 flat angles C4'-P-C4' energy: -67.314 flat angles P-C4'-P energy: -45.137 tors. eta vs tors. theta energy: -80.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1674.702840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.702840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.702840 (E_RNA) where: Base-Base interactions energy: -1222.943 where: short stacking energy: -481.798 Base-Backbone interact. energy: 0.276 local terms energy: -452.036103 where: bonds (distance) C4'-P energy: -73.156 bonds (distance) P-C4' energy: -77.191 flat angles C4'-P-C4' energy: -96.597 flat angles P-C4'-P energy: -60.202 tors. eta vs tors. theta energy: -144.890 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: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1571.716800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.716800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.716800 (E_RNA) where: Base-Base interactions energy: -1140.981 where: short stacking energy: -450.166 Base-Backbone interact. energy: -0.991 local terms energy: -429.744164 where: bonds (distance) C4'-P energy: -74.354 bonds (distance) P-C4' energy: -70.354 flat angles C4'-P-C4' energy: -90.946 flat angles P-C4'-P energy: -61.316 tors. eta vs tors. theta energy: -132.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1545.977895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.977895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.977895 (E_RNA) where: Base-Base interactions energy: -1120.378 where: short stacking energy: -413.781 Base-Backbone interact. energy: -0.284 local terms energy: -425.315766 where: bonds (distance) C4'-P energy: -71.574 bonds (distance) P-C4' energy: -78.756 flat angles C4'-P-C4' energy: -87.950 flat angles P-C4'-P energy: -63.732 tors. eta vs tors. theta energy: -123.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1451.714732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.714732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.714732 (E_RNA) where: Base-Base interactions energy: -1047.979 where: short stacking energy: -415.284 Base-Backbone interact. energy: -1.457 local terms energy: -402.278923 where: bonds (distance) C4'-P energy: -69.693 bonds (distance) P-C4' energy: -67.502 flat angles C4'-P-C4' energy: -88.791 flat angles P-C4'-P energy: -59.039 tors. eta vs tors. theta energy: -117.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1444.624284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.624284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.624284 (E_RNA) where: Base-Base interactions energy: -1057.603 where: short stacking energy: -404.725 Base-Backbone interact. energy: -1.500 local terms energy: -385.521308 where: bonds (distance) C4'-P energy: -73.694 bonds (distance) P-C4' energy: -62.403 flat angles C4'-P-C4' energy: -84.565 flat angles P-C4'-P energy: -48.396 tors. eta vs tors. theta energy: -116.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1400.951929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.951929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.951929 (E_RNA) where: Base-Base interactions energy: -1016.535 where: short stacking energy: -390.333 Base-Backbone interact. energy: -0.661 local terms energy: -383.755231 where: bonds (distance) C4'-P energy: -73.586 bonds (distance) P-C4' energy: -71.893 flat angles C4'-P-C4' energy: -76.732 flat angles P-C4'-P energy: -49.851 tors. eta vs tors. theta energy: -111.693 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: 7, replica: 7 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1309.754445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.754445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.754445 (E_RNA) where: Base-Base interactions energy: -940.862 where: short stacking energy: -373.004 Base-Backbone interact. energy: -1.245 local terms energy: -367.647528 where: bonds (distance) C4'-P energy: -74.531 bonds (distance) P-C4' energy: -58.291 flat angles C4'-P-C4' energy: -81.784 flat angles P-C4'-P energy: -44.176 tors. eta vs tors. theta energy: -108.866 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: 3 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1319.401589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.401589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.401589 (E_RNA) where: Base-Base interactions energy: -959.974 where: short stacking energy: -371.237 Base-Backbone interact. energy: -1.468 local terms energy: -357.960397 where: bonds (distance) C4'-P energy: -64.082 bonds (distance) P-C4' energy: -67.139 flat angles C4'-P-C4' energy: -70.148 flat angles P-C4'-P energy: -53.492 tors. eta vs tors. theta energy: -103.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1227.072792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.072792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.072792 (E_RNA) where: Base-Base interactions energy: -873.261 where: short stacking energy: -345.650 Base-Backbone interact. energy: -1.692 local terms energy: -352.119827 where: bonds (distance) C4'-P energy: -55.992 bonds (distance) P-C4' energy: -68.230 flat angles C4'-P-C4' energy: -82.178 flat angles P-C4'-P energy: -41.015 tors. eta vs tors. theta energy: -104.705 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: 10, replica: 8 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -1079.723661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.723661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.723661 (E_RNA) where: Base-Base interactions energy: -764.716 where: short stacking energy: -298.518 Base-Backbone interact. energy: -1.630 local terms energy: -313.377759 where: bonds (distance) C4'-P energy: -53.367 bonds (distance) P-C4' energy: -59.579 flat angles C4'-P-C4' energy: -69.354 flat angles P-C4'-P energy: -47.726 tors. eta vs tors. theta energy: -83.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1692.492591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.492591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.492591 (E_RNA) where: Base-Base interactions energy: -1233.074 where: short stacking energy: -490.389 Base-Backbone interact. energy: -0.398 local terms energy: -459.019960 where: bonds (distance) C4'-P energy: -74.797 bonds (distance) P-C4' energy: -80.459 flat angles C4'-P-C4' energy: -92.260 flat angles P-C4'-P energy: -64.177 tors. eta vs tors. theta energy: -147.327 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: 10 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1580.949598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.949598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.949598 (E_RNA) where: Base-Base interactions energy: -1150.390 where: short stacking energy: -450.339 Base-Backbone interact. energy: -0.302 local terms energy: -430.257781 where: bonds (distance) C4'-P energy: -72.290 bonds (distance) P-C4' energy: -70.082 flat angles C4'-P-C4' energy: -90.562 flat angles P-C4'-P energy: -63.774 tors. eta vs tors. theta energy: -133.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1544.205744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.205744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.205744 (E_RNA) where: Base-Base interactions energy: -1132.392 where: short stacking energy: -433.846 Base-Backbone interact. energy: -0.600 local terms energy: -411.213584 where: bonds (distance) C4'-P energy: -69.659 bonds (distance) P-C4' energy: -70.400 flat angles C4'-P-C4' energy: -86.542 flat angles P-C4'-P energy: -62.528 tors. eta vs tors. theta energy: -122.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1478.558412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.558412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.558412 (E_RNA) where: Base-Base interactions energy: -1070.479 where: short stacking energy: -409.432 Base-Backbone interact. energy: 2.251 local terms energy: -410.330988 where: bonds (distance) C4'-P energy: -78.217 bonds (distance) P-C4' energy: -70.352 flat angles C4'-P-C4' energy: -89.890 flat angles P-C4'-P energy: -57.083 tors. eta vs tors. theta energy: -114.789 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: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1442.852452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.852452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.852452 (E_RNA) where: Base-Base interactions energy: -1042.142 where: short stacking energy: -408.285 Base-Backbone interact. energy: -2.946 local terms energy: -397.764273 where: bonds (distance) C4'-P energy: -71.595 bonds (distance) P-C4' energy: -64.452 flat angles C4'-P-C4' energy: -85.170 flat angles P-C4'-P energy: -62.922 tors. eta vs tors. theta energy: -113.625 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: 206 Temperature: 1.150000 Total energy: -1399.467944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.467944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.467944 (E_RNA) where: Base-Base interactions energy: -1018.634 where: short stacking energy: -383.879 Base-Backbone interact. energy: -1.978 local terms energy: -378.856160 where: bonds (distance) C4'-P energy: -67.562 bonds (distance) P-C4' energy: -77.965 flat angles C4'-P-C4' energy: -77.732 flat angles P-C4'-P energy: -46.655 tors. eta vs tors. theta energy: -108.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1296.884676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.884676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.884676 (E_RNA) where: Base-Base interactions energy: -949.850 where: short stacking energy: -375.014 Base-Backbone interact. energy: -0.453 local terms energy: -346.581806 where: bonds (distance) C4'-P energy: -58.450 bonds (distance) P-C4' energy: -59.079 flat angles C4'-P-C4' energy: -80.997 flat angles P-C4'-P energy: -49.224 tors. eta vs tors. theta energy: -98.831 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: 8, replica: 3 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1267.639866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.639866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.639866 (E_RNA) where: Base-Base interactions energy: -906.653 where: short stacking energy: -349.959 Base-Backbone interact. energy: 1.284 local terms energy: -362.270831 where: bonds (distance) C4'-P energy: -65.173 bonds (distance) P-C4' energy: -58.216 flat angles C4'-P-C4' energy: -80.207 flat angles P-C4'-P energy: -62.058 tors. eta vs tors. theta energy: -96.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1217.520191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.520191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.520191 (E_RNA) where: Base-Base interactions energy: -869.420 where: short stacking energy: -339.576 Base-Backbone interact. energy: -1.663 local terms energy: -346.437305 where: bonds (distance) C4'-P energy: -48.700 bonds (distance) P-C4' energy: -63.384 flat angles C4'-P-C4' energy: -76.281 flat angles P-C4'-P energy: -60.608 tors. eta vs tors. theta energy: -97.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -1079.192555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.192555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.192555 (E_RNA) where: Base-Base interactions energy: -780.343 where: short stacking energy: -311.811 Base-Backbone interact. energy: 1.278 local terms energy: -300.127644 where: bonds (distance) C4'-P energy: -58.048 bonds (distance) P-C4' energy: -52.868 flat angles C4'-P-C4' energy: -67.972 flat angles P-C4'-P energy: -42.617 tors. eta vs tors. theta energy: -78.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1666.427579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.427579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.427579 (E_RNA) where: Base-Base interactions energy: -1229.416 where: short stacking energy: -478.275 Base-Backbone interact. energy: 2.099 local terms energy: -439.110161 where: bonds (distance) C4'-P energy: -68.377 bonds (distance) P-C4' energy: -78.861 flat angles C4'-P-C4' energy: -82.890 flat angles P-C4'-P energy: -66.457 tors. eta vs tors. theta energy: -142.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1578.893506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.893506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.893506 (E_RNA) where: Base-Base interactions energy: -1139.214 where: short stacking energy: -448.538 Base-Backbone interact. energy: 0.598 local terms energy: -440.277540 where: bonds (distance) C4'-P energy: -68.804 bonds (distance) P-C4' energy: -76.091 flat angles C4'-P-C4' energy: -92.015 flat angles P-C4'-P energy: -68.161 tors. eta vs tors. theta energy: -135.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1563.707111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.707111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.707111 (E_RNA) where: Base-Base interactions energy: -1146.241 where: short stacking energy: -435.933 Base-Backbone interact. energy: -0.302 local terms energy: -417.163561 where: bonds (distance) C4'-P energy: -65.042 bonds (distance) P-C4' energy: -72.466 flat angles C4'-P-C4' energy: -86.575 flat angles P-C4'-P energy: -66.450 tors. eta vs tors. theta energy: -126.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1450.859357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.859357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.859357 (E_RNA) where: Base-Base interactions energy: -1079.899 where: short stacking energy: -412.244 Base-Backbone interact. energy: -2.035 local terms energy: -368.925025 where: bonds (distance) C4'-P energy: -67.070 bonds (distance) P-C4' energy: -68.203 flat angles C4'-P-C4' energy: -67.632 flat angles P-C4'-P energy: -53.444 tors. eta vs tors. theta energy: -112.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1443.311621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.311621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.311621 (E_RNA) where: Base-Base interactions energy: -1036.518 where: short stacking energy: -393.283 Base-Backbone interact. energy: 0.126 local terms energy: -406.919947 where: bonds (distance) C4'-P energy: -70.468 bonds (distance) P-C4' energy: -74.332 flat angles C4'-P-C4' energy: -79.042 flat angles P-C4'-P energy: -65.309 tors. eta vs tors. theta energy: -117.769 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: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1409.233433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.233433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.233433 (E_RNA) where: Base-Base interactions energy: -1011.966 where: short stacking energy: -384.451 Base-Backbone interact. energy: -1.495 local terms energy: -395.771691 where: bonds (distance) C4'-P energy: -66.376 bonds (distance) P-C4' energy: -67.848 flat angles C4'-P-C4' energy: -84.082 flat angles P-C4'-P energy: -58.046 tors. eta vs tors. theta energy: -119.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1282.196886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.196886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.196886 (E_RNA) where: Base-Base interactions energy: -914.975 where: short stacking energy: -342.700 Base-Backbone interact. energy: -0.846 local terms energy: -366.375525 where: bonds (distance) C4'-P energy: -73.700 bonds (distance) P-C4' energy: -64.212 flat angles C4'-P-C4' energy: -80.747 flat angles P-C4'-P energy: -50.128 tors. eta vs tors. theta energy: -97.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1302.903231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.903231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.903231 (E_RNA) where: Base-Base interactions energy: -948.747 where: short stacking energy: -362.628 Base-Backbone interact. energy: 3.779 local terms energy: -357.934673 where: bonds (distance) C4'-P energy: -53.957 bonds (distance) P-C4' energy: -62.269 flat angles C4'-P-C4' energy: -72.882 flat angles P-C4'-P energy: -63.216 tors. eta vs tors. theta energy: -105.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1213.500073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.500073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.500073 (E_RNA) where: Base-Base interactions energy: -885.788 where: short stacking energy: -350.793 Base-Backbone interact. energy: -0.524 local terms energy: -327.188534 where: bonds (distance) C4'-P energy: -60.631 bonds (distance) P-C4' energy: -52.953 flat angles C4'-P-C4' energy: -74.933 flat angles P-C4'-P energy: -43.126 tors. eta vs tors. theta energy: -95.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -1088.617640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.617640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.617640 (E_RNA) where: Base-Base interactions energy: -769.421 where: short stacking energy: -304.743 Base-Backbone interact. energy: 1.351 local terms energy: -320.547551 where: bonds (distance) C4'-P energy: -51.805 bonds (distance) P-C4' energy: -70.759 flat angles C4'-P-C4' energy: -72.588 flat angles P-C4'-P energy: -37.266 tors. eta vs tors. theta energy: -88.129 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: 208 Temperature: 0.900000 Total energy: -1679.788627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.788627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.788627 (E_RNA) where: Base-Base interactions energy: -1230.268 where: short stacking energy: -473.913 Base-Backbone interact. energy: -0.080 local terms energy: -449.440686 where: bonds (distance) C4'-P energy: -73.621 bonds (distance) P-C4' energy: -84.249 flat angles C4'-P-C4' energy: -83.313 flat angles P-C4'-P energy: -69.831 tors. eta vs tors. theta energy: -138.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1575.344902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.344902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.344902 (E_RNA) where: Base-Base interactions energy: -1155.133 where: short stacking energy: -458.162 Base-Backbone interact. energy: -0.715 local terms energy: -419.496998 where: bonds (distance) C4'-P energy: -71.859 bonds (distance) P-C4' energy: -71.368 flat angles C4'-P-C4' energy: -77.670 flat angles P-C4'-P energy: -61.053 tors. eta vs tors. theta energy: -137.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1582.992200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.992200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.992200 (E_RNA) where: Base-Base interactions energy: -1162.944 where: short stacking energy: -438.895 Base-Backbone interact. energy: -0.806 local terms energy: -419.242670 where: bonds (distance) C4'-P energy: -68.601 bonds (distance) P-C4' energy: -77.972 flat angles C4'-P-C4' energy: -85.211 flat angles P-C4'-P energy: -64.639 tors. eta vs tors. theta energy: -122.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1470.470759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.470759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.470759 (E_RNA) where: Base-Base interactions energy: -1074.631 where: short stacking energy: -410.593 Base-Backbone interact. energy: -1.315 local terms energy: -394.525127 where: bonds (distance) C4'-P energy: -74.513 bonds (distance) P-C4' energy: -69.258 flat angles C4'-P-C4' energy: -75.855 flat angles P-C4'-P energy: -56.635 tors. eta vs tors. theta energy: -118.264 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: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1424.604071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.604071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.604071 (E_RNA) where: Base-Base interactions energy: -1032.043 where: short stacking energy: -399.002 Base-Backbone interact. energy: -1.212 local terms energy: -391.349579 where: bonds (distance) C4'-P energy: -62.360 bonds (distance) P-C4' energy: -65.330 flat angles C4'-P-C4' energy: -89.369 flat angles P-C4'-P energy: -59.025 tors. eta vs tors. theta energy: -115.265 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: 4 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1419.696676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.696676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.696676 (E_RNA) where: Base-Base interactions energy: -1024.789 where: short stacking energy: -388.745 Base-Backbone interact. energy: -0.914 local terms energy: -393.993250 where: bonds (distance) C4'-P energy: -80.392 bonds (distance) P-C4' energy: -66.034 flat angles C4'-P-C4' energy: -80.781 flat angles P-C4'-P energy: -53.884 tors. eta vs tors. theta energy: -112.903 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: 3 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1328.209976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.209976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.209976 (E_RNA) where: Base-Base interactions energy: -954.787 where: short stacking energy: -375.859 Base-Backbone interact. energy: -1.562 local terms energy: -371.861018 where: bonds (distance) C4'-P energy: -56.303 bonds (distance) P-C4' energy: -60.859 flat angles C4'-P-C4' energy: -86.608 flat angles P-C4'-P energy: -56.242 tors. eta vs tors. theta energy: -111.849 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: 7 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1279.777229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.777229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.777229 (E_RNA) where: Base-Base interactions energy: -925.824 where: short stacking energy: -351.748 Base-Backbone interact. energy: -0.616 local terms energy: -353.338030 where: bonds (distance) C4'-P energy: -59.866 bonds (distance) P-C4' energy: -59.188 flat angles C4'-P-C4' energy: -79.790 flat angles P-C4'-P energy: -51.520 tors. eta vs tors. theta energy: -102.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1236.039052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.039052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.039052 (E_RNA) where: Base-Base interactions energy: -871.402 where: short stacking energy: -354.632 Base-Backbone interact. energy: -0.891 local terms energy: -363.745831 where: bonds (distance) C4'-P energy: -69.709 bonds (distance) P-C4' energy: -66.190 flat angles C4'-P-C4' energy: -76.530 flat angles P-C4'-P energy: -50.081 tors. eta vs tors. theta energy: -101.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -1080.319499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.319499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.319499 (E_RNA) where: Base-Base interactions energy: -774.861 where: short stacking energy: -308.695 Base-Backbone interact. energy: -1.053 local terms energy: -304.405768 where: bonds (distance) C4'-P energy: -53.707 bonds (distance) P-C4' energy: -52.261 flat angles C4'-P-C4' energy: -80.119 flat angles P-C4'-P energy: -37.805 tors. eta vs tors. theta energy: -80.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1669.809581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.809581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.809581 (E_RNA) where: Base-Base interactions energy: -1219.253 where: short stacking energy: -474.914 Base-Backbone interact. energy: -0.205 local terms energy: -450.352071 where: bonds (distance) C4'-P energy: -81.231 bonds (distance) P-C4' energy: -77.550 flat angles C4'-P-C4' energy: -85.616 flat angles P-C4'-P energy: -64.786 tors. eta vs tors. theta energy: -141.169 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: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1604.036502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.036502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.036502 (E_RNA) where: Base-Base interactions energy: -1178.345 where: short stacking energy: -443.832 Base-Backbone interact. energy: -1.667 local terms energy: -424.024737 where: bonds (distance) C4'-P energy: -75.840 bonds (distance) P-C4' energy: -77.005 flat angles C4'-P-C4' energy: -88.409 flat angles P-C4'-P energy: -56.649 tors. eta vs tors. theta energy: -126.122 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: 10 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1562.579186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.579186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.579186 (E_RNA) where: Base-Base interactions energy: -1127.225 where: short stacking energy: -435.122 Base-Backbone interact. energy: -0.446 local terms energy: -434.908349 where: bonds (distance) C4'-P energy: -70.605 bonds (distance) P-C4' energy: -77.673 flat angles C4'-P-C4' energy: -93.639 flat angles P-C4'-P energy: -65.550 tors. eta vs tors. theta energy: -127.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1490.389037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.389037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.389037 (E_RNA) where: Base-Base interactions energy: -1097.761 where: short stacking energy: -423.470 Base-Backbone interact. energy: -0.866 local terms energy: -391.761888 where: bonds (distance) C4'-P energy: -62.563 bonds (distance) P-C4' energy: -65.741 flat angles C4'-P-C4' energy: -85.172 flat angles P-C4'-P energy: -55.222 tors. eta vs tors. theta energy: -123.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1450.253518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.253518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.253518 (E_RNA) where: Base-Base interactions energy: -1053.837 where: short stacking energy: -411.562 Base-Backbone interact. energy: -1.049 local terms energy: -395.366898 where: bonds (distance) C4'-P energy: -67.242 bonds (distance) P-C4' energy: -72.960 flat angles C4'-P-C4' energy: -80.759 flat angles P-C4'-P energy: -56.071 tors. eta vs tors. theta energy: -118.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1419.196363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.196363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.196363 (E_RNA) where: Base-Base interactions energy: -1041.037 where: short stacking energy: -406.890 Base-Backbone interact. energy: -0.528 local terms energy: -377.631548 where: bonds (distance) C4'-P energy: -59.518 bonds (distance) P-C4' energy: -78.490 flat angles C4'-P-C4' energy: -80.751 flat angles P-C4'-P energy: -43.635 tors. eta vs tors. theta energy: -115.237 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: 3 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1323.510036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.510036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.510036 (E_RNA) where: Base-Base interactions energy: -967.378 where: short stacking energy: -376.659 Base-Backbone interact. energy: 2.181 local terms energy: -358.313362 where: bonds (distance) C4'-P energy: -65.240 bonds (distance) P-C4' energy: -60.847 flat angles C4'-P-C4' energy: -77.956 flat angles P-C4'-P energy: -47.289 tors. eta vs tors. theta energy: -106.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1267.489048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.489048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.489048 (E_RNA) where: Base-Base interactions energy: -904.830 where: short stacking energy: -355.658 Base-Backbone interact. energy: -0.371 local terms energy: -362.287959 where: bonds (distance) C4'-P energy: -65.136 bonds (distance) P-C4' energy: -65.722 flat angles C4'-P-C4' energy: -79.748 flat angles P-C4'-P energy: -52.637 tors. eta vs tors. theta energy: -99.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1195.537066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.537066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.537066 (E_RNA) where: Base-Base interactions energy: -863.171 where: short stacking energy: -344.742 Base-Backbone interact. energy: 1.720 local terms energy: -334.085477 where: bonds (distance) C4'-P energy: -66.536 bonds (distance) P-C4' energy: -46.008 flat angles C4'-P-C4' energy: -77.032 flat angles P-C4'-P energy: -48.131 tors. eta vs tors. theta energy: -96.379 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: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -1104.820540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.820540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.820540 (E_RNA) where: Base-Base interactions energy: -779.337 where: short stacking energy: -299.055 Base-Backbone interact. energy: 0.174 local terms energy: -325.657369 where: bonds (distance) C4'-P energy: -46.568 bonds (distance) P-C4' energy: -68.035 flat angles C4'-P-C4' energy: -79.080 flat angles P-C4'-P energy: -50.193 tors. eta vs tors. theta energy: -81.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1671.893269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.893269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.893269 (E_RNA) where: Base-Base interactions energy: -1235.532 where: short stacking energy: -485.071 Base-Backbone interact. energy: -0.683 local terms energy: -435.677825 where: bonds (distance) C4'-P energy: -67.506 bonds (distance) P-C4' energy: -74.298 flat angles C4'-P-C4' energy: -87.920 flat angles P-C4'-P energy: -60.986 tors. eta vs tors. theta energy: -144.968 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: 2, replica: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1570.836578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.836578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.836578 (E_RNA) where: Base-Base interactions energy: -1166.081 where: short stacking energy: -444.566 Base-Backbone interact. energy: -0.537 local terms energy: -404.218470 where: bonds (distance) C4'-P energy: -67.590 bonds (distance) P-C4' energy: -70.549 flat angles C4'-P-C4' energy: -90.102 flat angles P-C4'-P energy: -49.270 tors. eta vs tors. theta energy: -126.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1558.862549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.862549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.862549 (E_RNA) where: Base-Base interactions energy: -1131.865 where: short stacking energy: -436.949 Base-Backbone interact. energy: -1.011 local terms energy: -425.985913 where: bonds (distance) C4'-P energy: -70.487 bonds (distance) P-C4' energy: -70.955 flat angles C4'-P-C4' energy: -92.014 flat angles P-C4'-P energy: -59.445 tors. eta vs tors. theta energy: -133.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1479.994787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.994787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.994787 (E_RNA) where: Base-Base interactions energy: -1067.634 where: short stacking energy: -415.125 Base-Backbone interact. energy: -0.653 local terms energy: -411.708125 where: bonds (distance) C4'-P energy: -65.824 bonds (distance) P-C4' energy: -76.148 flat angles C4'-P-C4' energy: -87.624 flat angles P-C4'-P energy: -62.502 tors. eta vs tors. theta energy: -119.610 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: 5, replica: 1 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1445.594485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.594485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.594485 (E_RNA) where: Base-Base interactions energy: -1056.306 where: short stacking energy: -426.800 Base-Backbone interact. energy: -1.171 local terms energy: -388.117019 where: bonds (distance) C4'-P energy: -54.879 bonds (distance) P-C4' energy: -68.925 flat angles C4'-P-C4' energy: -84.896 flat angles P-C4'-P energy: -65.993 tors. eta vs tors. theta energy: -113.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1401.419152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.419152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.419152 (E_RNA) where: Base-Base interactions energy: -1020.994 where: short stacking energy: -387.699 Base-Backbone interact. energy: 0.469 local terms energy: -380.894339 where: bonds (distance) C4'-P energy: -61.171 bonds (distance) P-C4' energy: -63.627 flat angles C4'-P-C4' energy: -80.228 flat angles P-C4'-P energy: -54.246 tors. eta vs tors. theta energy: -121.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1335.466918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.466918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.466918 (E_RNA) where: Base-Base interactions energy: -962.387 where: short stacking energy: -388.045 Base-Backbone interact. energy: -1.116 local terms energy: -371.963829 where: bonds (distance) C4'-P energy: -54.843 bonds (distance) P-C4' energy: -59.178 flat angles C4'-P-C4' energy: -82.062 flat angles P-C4'-P energy: -63.155 tors. eta vs tors. theta energy: -112.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1239.256759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.256759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.256759 (E_RNA) where: Base-Base interactions energy: -905.665 where: short stacking energy: -358.386 Base-Backbone interact. energy: -0.783 local terms energy: -332.808628 where: bonds (distance) C4'-P energy: -50.823 bonds (distance) P-C4' energy: -61.172 flat angles C4'-P-C4' energy: -75.599 flat angles P-C4'-P energy: -49.477 tors. eta vs tors. theta energy: -95.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1244.387884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.387884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.387884 (E_RNA) where: Base-Base interactions energy: -922.563 where: short stacking energy: -334.247 Base-Backbone interact. energy: -1.560 local terms energy: -320.265303 where: bonds (distance) C4'-P energy: -54.812 bonds (distance) P-C4' energy: -61.074 flat angles C4'-P-C4' energy: -71.884 flat angles P-C4'-P energy: -36.837 tors. eta vs tors. theta energy: -95.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -1055.399894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.399894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.399894 (E_RNA) where: Base-Base interactions energy: -745.843 where: short stacking energy: -294.646 Base-Backbone interact. energy: -0.819 local terms energy: -308.738370 where: bonds (distance) C4'-P energy: -63.667 bonds (distance) P-C4' energy: -68.763 flat angles C4'-P-C4' energy: -61.611 flat angles P-C4'-P energy: -43.573 tors. eta vs tors. theta energy: -71.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1679.125137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.125137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.125137 (E_RNA) where: Base-Base interactions energy: -1244.558 where: short stacking energy: -487.354 Base-Backbone interact. energy: -0.190 local terms energy: -434.376968 where: bonds (distance) C4'-P energy: -63.567 bonds (distance) P-C4' energy: -69.171 flat angles C4'-P-C4' energy: -89.432 flat angles P-C4'-P energy: -68.330 tors. eta vs tors. theta energy: -143.878 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: 9 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1590.031558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.031558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.031558 (E_RNA) where: Base-Base interactions energy: -1173.421 where: short stacking energy: -440.821 Base-Backbone interact. energy: -1.155 local terms energy: -415.455029 where: bonds (distance) C4'-P energy: -74.379 bonds (distance) P-C4' energy: -65.819 flat angles C4'-P-C4' energy: -93.668 flat angles P-C4'-P energy: -54.144 tors. eta vs tors. theta energy: -127.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1552.215671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.215671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.215671 (E_RNA) where: Base-Base interactions energy: -1120.985 where: short stacking energy: -442.052 Base-Backbone interact. energy: -0.400 local terms energy: -430.830734 where: bonds (distance) C4'-P energy: -74.101 bonds (distance) P-C4' energy: -78.099 flat angles C4'-P-C4' energy: -82.735 flat angles P-C4'-P energy: -65.800 tors. eta vs tors. theta energy: -130.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1452.998217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.998217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.998217 (E_RNA) where: Base-Base interactions energy: -1037.284 where: short stacking energy: -402.252 Base-Backbone interact. energy: -0.813 local terms energy: -414.901226 where: bonds (distance) C4'-P energy: -64.971 bonds (distance) P-C4' energy: -63.833 flat angles C4'-P-C4' energy: -98.199 flat angles P-C4'-P energy: -61.336 tors. eta vs tors. theta energy: -126.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1453.995044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.995044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.995044 (E_RNA) where: Base-Base interactions energy: -1062.495 where: short stacking energy: -414.029 Base-Backbone interact. energy: -1.958 local terms energy: -389.541666 where: bonds (distance) C4'-P energy: -72.083 bonds (distance) P-C4' energy: -73.203 flat angles C4'-P-C4' energy: -75.992 flat angles P-C4'-P energy: -51.112 tors. eta vs tors. theta energy: -117.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1431.116261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.116261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.116261 (E_RNA) where: Base-Base interactions energy: -1056.002 where: short stacking energy: -408.239 Base-Backbone interact. energy: -0.306 local terms energy: -374.808183 where: bonds (distance) C4'-P energy: -66.382 bonds (distance) P-C4' energy: -67.710 flat angles C4'-P-C4' energy: -74.911 flat angles P-C4'-P energy: -53.386 tors. eta vs tors. theta energy: -112.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1333.717195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.717195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.717195 (E_RNA) where: Base-Base interactions energy: -959.616 where: short stacking energy: -363.535 Base-Backbone interact. energy: -2.509 local terms energy: -371.591787 where: bonds (distance) C4'-P energy: -74.870 bonds (distance) P-C4' energy: -62.442 flat angles C4'-P-C4' energy: -73.309 flat angles P-C4'-P energy: -48.831 tors. eta vs tors. theta energy: -112.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1274.237826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.237826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.237826 (E_RNA) where: Base-Base interactions energy: -932.972 where: short stacking energy: -359.074 Base-Backbone interact. energy: -0.492 local terms energy: -340.773530 where: bonds (distance) C4'-P energy: -66.305 bonds (distance) P-C4' energy: -45.761 flat angles C4'-P-C4' energy: -70.497 flat angles P-C4'-P energy: -57.043 tors. eta vs tors. theta energy: -101.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1234.188209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.188209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.188209 (E_RNA) where: Base-Base interactions energy: -889.094 where: short stacking energy: -344.372 Base-Backbone interact. energy: -0.879 local terms energy: -344.215170 where: bonds (distance) C4'-P energy: -63.317 bonds (distance) P-C4' energy: -61.403 flat angles C4'-P-C4' energy: -74.771 flat angles P-C4'-P energy: -42.443 tors. eta vs tors. theta energy: -102.281 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: 8 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -1014.394734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.394734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.394734 (E_RNA) where: Base-Base interactions energy: -677.815 where: short stacking energy: -277.317 Base-Backbone interact. energy: -0.218 local terms energy: -336.361704 where: bonds (distance) C4'-P energy: -58.125 bonds (distance) P-C4' energy: -75.424 flat angles C4'-P-C4' energy: -76.734 flat angles P-C4'-P energy: -52.829 tors. eta vs tors. theta energy: -73.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1674.474992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.474992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.474992 (E_RNA) where: Base-Base interactions energy: -1226.018 where: short stacking energy: -475.421 Base-Backbone interact. energy: 0.040 local terms energy: -448.497208 where: bonds (distance) C4'-P energy: -63.869 bonds (distance) P-C4' energy: -81.820 flat angles C4'-P-C4' energy: -90.041 flat angles P-C4'-P energy: -67.783 tors. eta vs tors. theta energy: -144.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1584.327159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.327159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.327159 (E_RNA) where: Base-Base interactions energy: -1183.473 where: short stacking energy: -434.936 Base-Backbone interact. energy: -1.134 local terms energy: -399.719734 where: bonds (distance) C4'-P energy: -61.707 bonds (distance) P-C4' energy: -69.900 flat angles C4'-P-C4' energy: -89.546 flat angles P-C4'-P energy: -57.327 tors. eta vs tors. theta energy: -121.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1551.928853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.928853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.928853 (E_RNA) where: Base-Base interactions energy: -1132.856 where: short stacking energy: -452.418 Base-Backbone interact. energy: 1.473 local terms energy: -420.546196 where: bonds (distance) C4'-P energy: -59.456 bonds (distance) P-C4' energy: -79.070 flat angles C4'-P-C4' energy: -88.780 flat angles P-C4'-P energy: -58.198 tors. eta vs tors. theta energy: -135.042 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: 1 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1460.061973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.061973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.061973 (E_RNA) where: Base-Base interactions energy: -1066.724 where: short stacking energy: -415.103 Base-Backbone interact. energy: 0.581 local terms energy: -393.918544 where: bonds (distance) C4'-P energy: -66.274 bonds (distance) P-C4' energy: -76.543 flat angles C4'-P-C4' energy: -77.698 flat angles P-C4'-P energy: -51.033 tors. eta vs tors. theta energy: -122.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1421.176261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.176261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.176261 (E_RNA) where: Base-Base interactions energy: -1052.939 where: short stacking energy: -400.242 Base-Backbone interact. energy: -1.376 local terms energy: -366.861318 where: bonds (distance) C4'-P energy: -59.480 bonds (distance) P-C4' energy: -64.586 flat angles C4'-P-C4' energy: -77.762 flat angles P-C4'-P energy: -56.192 tors. eta vs tors. theta energy: -108.841 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: 4 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1401.737681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.737681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.737681 (E_RNA) where: Base-Base interactions energy: -1024.719 where: short stacking energy: -381.969 Base-Backbone interact. energy: 1.551 local terms energy: -378.569284 where: bonds (distance) C4'-P energy: -65.945 bonds (distance) P-C4' energy: -67.935 flat angles C4'-P-C4' energy: -79.672 flat angles P-C4'-P energy: -55.456 tors. eta vs tors. theta energy: -109.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1285.087297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.087297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.087297 (E_RNA) where: Base-Base interactions energy: -925.669 where: short stacking energy: -357.062 Base-Backbone interact. energy: -0.407 local terms energy: -359.010962 where: bonds (distance) C4'-P energy: -68.702 bonds (distance) P-C4' energy: -64.845 flat angles C4'-P-C4' energy: -74.364 flat angles P-C4'-P energy: -57.867 tors. eta vs tors. theta energy: -93.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1275.336472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.336472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.336472 (E_RNA) where: Base-Base interactions energy: -911.972 where: short stacking energy: -369.853 Base-Backbone interact. energy: 0.032 local terms energy: -363.396893 where: bonds (distance) C4'-P energy: -55.463 bonds (distance) P-C4' energy: -71.163 flat angles C4'-P-C4' energy: -73.742 flat angles P-C4'-P energy: -54.338 tors. eta vs tors. theta energy: -108.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1210.171827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.171827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.171827 (E_RNA) where: Base-Base interactions energy: -866.967 where: short stacking energy: -327.574 Base-Backbone interact. energy: -0.928 local terms energy: -342.276115 where: bonds (distance) C4'-P energy: -62.094 bonds (distance) P-C4' energy: -51.646 flat angles C4'-P-C4' energy: -71.581 flat angles P-C4'-P energy: -52.854 tors. eta vs tors. theta energy: -104.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -1025.058793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.058793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.058793 (E_RNA) where: Base-Base interactions energy: -704.048 where: short stacking energy: -271.662 Base-Backbone interact. energy: 0.047 local terms energy: -321.057925 where: bonds (distance) C4'-P energy: -60.842 bonds (distance) P-C4' energy: -71.114 flat angles C4'-P-C4' energy: -71.396 flat angles P-C4'-P energy: -45.238 tors. eta vs tors. theta energy: -72.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1685.889273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.889273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.889273 (E_RNA) where: Base-Base interactions energy: -1237.241 where: short stacking energy: -485.341 Base-Backbone interact. energy: -0.107 local terms energy: -448.541711 where: bonds (distance) C4'-P energy: -75.961 bonds (distance) P-C4' energy: -76.464 flat angles C4'-P-C4' energy: -85.557 flat angles P-C4'-P energy: -63.862 tors. eta vs tors. theta energy: -146.697 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: 2, replica: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1589.840467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.840467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.840467 (E_RNA) where: Base-Base interactions energy: -1155.370 where: short stacking energy: -437.498 Base-Backbone interact. energy: -1.378 local terms energy: -433.092144 where: bonds (distance) C4'-P energy: -74.709 bonds (distance) P-C4' energy: -77.522 flat angles C4'-P-C4' energy: -88.938 flat angles P-C4'-P energy: -64.503 tors. eta vs tors. theta energy: -127.420 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: 10 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1559.909018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.909018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.909018 (E_RNA) where: Base-Base interactions energy: -1137.436 where: short stacking energy: -452.016 Base-Backbone interact. energy: -0.645 local terms energy: -421.827535 where: bonds (distance) C4'-P energy: -67.224 bonds (distance) P-C4' energy: -67.130 flat angles C4'-P-C4' energy: -84.472 flat angles P-C4'-P energy: -64.558 tors. eta vs tors. theta energy: -138.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1479.406371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.406371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.406371 (E_RNA) where: Base-Base interactions energy: -1061.280 where: short stacking energy: -421.230 Base-Backbone interact. energy: -0.348 local terms energy: -417.778467 where: bonds (distance) C4'-P energy: -69.082 bonds (distance) P-C4' energy: -78.767 flat angles C4'-P-C4' energy: -85.171 flat angles P-C4'-P energy: -59.561 tors. eta vs tors. theta energy: -125.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1442.219009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.219009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.219009 (E_RNA) where: Base-Base interactions energy: -1064.299 where: short stacking energy: -403.053 Base-Backbone interact. energy: -0.954 local terms energy: -376.966383 where: bonds (distance) C4'-P energy: -74.229 bonds (distance) P-C4' energy: -57.144 flat angles C4'-P-C4' energy: -71.020 flat angles P-C4'-P energy: -61.127 tors. eta vs tors. theta energy: -113.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1388.717168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.717168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.717168 (E_RNA) where: Base-Base interactions energy: -1026.453 where: short stacking energy: -397.247 Base-Backbone interact. energy: -1.111 local terms energy: -361.154068 where: bonds (distance) C4'-P energy: -64.006 bonds (distance) P-C4' energy: -65.008 flat angles C4'-P-C4' energy: -72.915 flat angles P-C4'-P energy: -47.818 tors. eta vs tors. theta energy: -111.407 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: 7 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1287.611031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.611031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.611031 (E_RNA) where: Base-Base interactions energy: -936.453 where: short stacking energy: -355.825 Base-Backbone interact. energy: -0.220 local terms energy: -350.938171 where: bonds (distance) C4'-P energy: -69.146 bonds (distance) P-C4' energy: -65.762 flat angles C4'-P-C4' energy: -74.455 flat angles P-C4'-P energy: -42.779 tors. eta vs tors. theta energy: -98.795 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: 3 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1311.282305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.282305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.282305 (E_RNA) where: Base-Base interactions energy: -953.620 where: short stacking energy: -365.890 Base-Backbone interact. energy: 0.545 local terms energy: -358.207139 where: bonds (distance) C4'-P energy: -73.068 bonds (distance) P-C4' energy: -55.225 flat angles C4'-P-C4' energy: -77.312 flat angles P-C4'-P energy: -50.514 tors. eta vs tors. theta energy: -102.088 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: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1188.991393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.991393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.991393 (E_RNA) where: Base-Base interactions energy: -829.363 where: short stacking energy: -332.663 Base-Backbone interact. energy: 0.054 local terms energy: -359.681785 where: bonds (distance) C4'-P energy: -62.882 bonds (distance) P-C4' energy: -75.959 flat angles C4'-P-C4' energy: -78.496 flat angles P-C4'-P energy: -55.297 tors. eta vs tors. theta energy: -87.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -1046.430584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.430584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.430584 (E_RNA) where: Base-Base interactions energy: -730.019 where: short stacking energy: -296.030 Base-Backbone interact. energy: 0.073 local terms energy: -316.484810 where: bonds (distance) C4'-P energy: -52.754 bonds (distance) P-C4' energy: -74.483 flat angles C4'-P-C4' energy: -67.096 flat angles P-C4'-P energy: -50.000 tors. eta vs tors. theta energy: -72.151 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: 5 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1672.338917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.338917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.338917 (E_RNA) where: Base-Base interactions energy: -1229.365 where: short stacking energy: -485.582 Base-Backbone interact. energy: -0.120 local terms energy: -442.853485 where: bonds (distance) C4'-P energy: -82.121 bonds (distance) P-C4' energy: -71.354 flat angles C4'-P-C4' energy: -91.897 flat angles P-C4'-P energy: -55.300 tors. eta vs tors. theta energy: -142.183 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: 9 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1575.843141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.843141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.843141 (E_RNA) where: Base-Base interactions energy: -1153.259 where: short stacking energy: -420.621 Base-Backbone interact. energy: 0.868 local terms energy: -423.452111 where: bonds (distance) C4'-P energy: -74.655 bonds (distance) P-C4' energy: -77.835 flat angles C4'-P-C4' energy: -88.303 flat angles P-C4'-P energy: -63.777 tors. eta vs tors. theta energy: -118.882 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: 10 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1547.054426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.054426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.054426 (E_RNA) where: Base-Base interactions energy: -1116.590 where: short stacking energy: -437.469 Base-Backbone interact. energy: -0.278 local terms energy: -430.186162 where: bonds (distance) C4'-P energy: -76.610 bonds (distance) P-C4' energy: -77.442 flat angles C4'-P-C4' energy: -88.470 flat angles P-C4'-P energy: -59.865 tors. eta vs tors. theta energy: -127.798 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: 1 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1472.805665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.805665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.805665 (E_RNA) where: Base-Base interactions energy: -1070.190 where: short stacking energy: -436.665 Base-Backbone interact. energy: 0.310 local terms energy: -402.925151 where: bonds (distance) C4'-P energy: -66.600 bonds (distance) P-C4' energy: -69.356 flat angles C4'-P-C4' energy: -87.503 flat angles P-C4'-P energy: -56.359 tors. eta vs tors. theta energy: -123.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1437.602839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.602839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.602839 (E_RNA) where: Base-Base interactions energy: -1048.812 where: short stacking energy: -396.078 Base-Backbone interact. energy: -0.382 local terms energy: -388.408699 where: bonds (distance) C4'-P energy: -74.129 bonds (distance) P-C4' energy: -70.621 flat angles C4'-P-C4' energy: -78.272 flat angles P-C4'-P energy: -53.383 tors. eta vs tors. theta energy: -112.004 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: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1433.106592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.106592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.106592 (E_RNA) where: Base-Base interactions energy: -1042.536 where: short stacking energy: -394.115 Base-Backbone interact. energy: 1.262 local terms energy: -391.832803 where: bonds (distance) C4'-P energy: -66.368 bonds (distance) P-C4' energy: -63.571 flat angles C4'-P-C4' energy: -89.339 flat angles P-C4'-P energy: -59.081 tors. eta vs tors. theta energy: -113.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1320.864553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.864553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.864553 (E_RNA) where: Base-Base interactions energy: -949.142 where: short stacking energy: -372.210 Base-Backbone interact. energy: 1.719 local terms energy: -373.441722 where: bonds (distance) C4'-P energy: -64.864 bonds (distance) P-C4' energy: -68.403 flat angles C4'-P-C4' energy: -71.524 flat angles P-C4'-P energy: -55.470 tors. eta vs tors. theta energy: -113.180 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: 7 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1278.958409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.958409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.958409 (E_RNA) where: Base-Base interactions energy: -910.288 where: short stacking energy: -357.125 Base-Backbone interact. energy: 0.841 local terms energy: -369.511945 where: bonds (distance) C4'-P energy: -65.502 bonds (distance) P-C4' energy: -62.410 flat angles C4'-P-C4' energy: -80.162 flat angles P-C4'-P energy: -57.478 tors. eta vs tors. theta energy: -103.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1176.402142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.402142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.402142 (E_RNA) where: Base-Base interactions energy: -844.112 where: short stacking energy: -320.775 Base-Backbone interact. energy: -1.742 local terms energy: -330.548285 where: bonds (distance) C4'-P energy: -65.460 bonds (distance) P-C4' energy: -58.387 flat angles C4'-P-C4' energy: -69.386 flat angles P-C4'-P energy: -47.101 tors. eta vs tors. theta energy: -90.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -1049.495732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.495732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.495732 (E_RNA) where: Base-Base interactions energy: -711.845 where: short stacking energy: -285.461 Base-Backbone interact. energy: -2.318 local terms energy: -335.332965 where: bonds (distance) C4'-P energy: -71.227 bonds (distance) P-C4' energy: -67.761 flat angles C4'-P-C4' energy: -70.661 flat angles P-C4'-P energy: -43.456 tors. eta vs tors. theta energy: -82.228 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: 5 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1682.549825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.549825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.549825 (E_RNA) where: Base-Base interactions energy: -1222.970 where: short stacking energy: -487.019 Base-Backbone interact. energy: -0.083 local terms energy: -459.497490 where: bonds (distance) C4'-P energy: -68.626 bonds (distance) P-C4' energy: -79.815 flat angles C4'-P-C4' energy: -92.230 flat angles P-C4'-P energy: -70.875 tors. eta vs tors. theta energy: -147.951 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: 2, replica: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1587.231099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.231099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.231099 (E_RNA) where: Base-Base interactions energy: -1132.174 where: short stacking energy: -451.519 Base-Backbone interact. energy: 0.312 local terms energy: -455.369078 where: bonds (distance) C4'-P energy: -74.263 bonds (distance) P-C4' energy: -78.675 flat angles C4'-P-C4' energy: -93.174 flat angles P-C4'-P energy: -72.514 tors. eta vs tors. theta energy: -136.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1562.482789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.482789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.482789 (E_RNA) where: Base-Base interactions energy: -1133.045 where: short stacking energy: -428.785 Base-Backbone interact. energy: 1.256 local terms energy: -430.694432 where: bonds (distance) C4'-P energy: -85.177 bonds (distance) P-C4' energy: -77.265 flat angles C4'-P-C4' energy: -80.853 flat angles P-C4'-P energy: -62.919 tors. eta vs tors. theta energy: -124.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1433.227922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.227922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.227922 (E_RNA) where: Base-Base interactions energy: -1039.922 where: short stacking energy: -412.700 Base-Backbone interact. energy: 1.057 local terms energy: -394.363179 where: bonds (distance) C4'-P energy: -65.556 bonds (distance) P-C4' energy: -70.028 flat angles C4'-P-C4' energy: -87.928 flat angles P-C4'-P energy: -50.126 tors. eta vs tors. theta energy: -120.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1440.824700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.824700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.824700 (E_RNA) where: Base-Base interactions energy: -1046.615 where: short stacking energy: -403.701 Base-Backbone interact. energy: -0.597 local terms energy: -393.612813 where: bonds (distance) C4'-P energy: -62.969 bonds (distance) P-C4' energy: -66.190 flat angles C4'-P-C4' energy: -86.830 flat angles P-C4'-P energy: -63.028 tors. eta vs tors. theta energy: -114.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1412.894981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.894981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.894981 (E_RNA) where: Base-Base interactions energy: -1025.707 where: short stacking energy: -402.695 Base-Backbone interact. energy: -0.316 local terms energy: -386.871956 where: bonds (distance) C4'-P energy: -65.973 bonds (distance) P-C4' energy: -72.907 flat angles C4'-P-C4' energy: -81.542 flat angles P-C4'-P energy: -53.523 tors. eta vs tors. theta energy: -112.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1348.521910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.521910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.521910 (E_RNA) where: Base-Base interactions energy: -996.626 where: short stacking energy: -392.244 Base-Backbone interact. energy: -0.407 local terms energy: -351.489499 where: bonds (distance) C4'-P energy: -56.547 bonds (distance) P-C4' energy: -66.722 flat angles C4'-P-C4' energy: -71.730 flat angles P-C4'-P energy: -50.819 tors. eta vs tors. theta energy: -105.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1219.110978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.110978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.110978 (E_RNA) where: Base-Base interactions energy: -857.152 where: short stacking energy: -346.620 Base-Backbone interact. energy: 0.341 local terms energy: -362.299976 where: bonds (distance) C4'-P energy: -63.128 bonds (distance) P-C4' energy: -64.183 flat angles C4'-P-C4' energy: -79.264 flat angles P-C4'-P energy: -52.246 tors. eta vs tors. theta energy: -103.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1225.563768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.563768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.563768 (E_RNA) where: Base-Base interactions energy: -857.000 where: short stacking energy: -340.418 Base-Backbone interact. energy: 0.162 local terms energy: -368.725160 where: bonds (distance) C4'-P energy: -72.592 bonds (distance) P-C4' energy: -69.548 flat angles C4'-P-C4' energy: -81.978 flat angles P-C4'-P energy: -48.237 tors. eta vs tors. theta energy: -96.371 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: 8 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1028.639432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.639432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.639432 (E_RNA) where: Base-Base interactions energy: -740.805 where: short stacking energy: -307.515 Base-Backbone interact. energy: 1.772 local terms energy: -289.606540 where: bonds (distance) C4'-P energy: -58.777 bonds (distance) P-C4' energy: -55.018 flat angles C4'-P-C4' energy: -70.991 flat angles P-C4'-P energy: -28.056 tors. eta vs tors. theta energy: -76.765 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: 5 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1681.318971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.318971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.318971 (E_RNA) where: Base-Base interactions energy: -1236.863 where: short stacking energy: -495.897 Base-Backbone interact. energy: 0.476 local terms energy: -444.931389 where: bonds (distance) C4'-P energy: -68.936 bonds (distance) P-C4' energy: -76.921 flat angles C4'-P-C4' energy: -88.672 flat angles P-C4'-P energy: -68.097 tors. eta vs tors. theta energy: -142.305 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: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1582.745804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.745804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.745804 (E_RNA) where: Base-Base interactions energy: -1137.844 where: short stacking energy: -444.875 Base-Backbone interact. energy: -0.523 local terms energy: -444.378368 where: bonds (distance) C4'-P energy: -75.551 bonds (distance) P-C4' energy: -75.755 flat angles C4'-P-C4' energy: -92.354 flat angles P-C4'-P energy: -65.777 tors. eta vs tors. theta energy: -134.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1553.423323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.423323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.423323 (E_RNA) where: Base-Base interactions energy: -1134.497 where: short stacking energy: -433.318 Base-Backbone interact. energy: -0.831 local terms energy: -418.095652 where: bonds (distance) C4'-P energy: -73.185 bonds (distance) P-C4' energy: -67.163 flat angles C4'-P-C4' energy: -87.550 flat angles P-C4'-P energy: -64.862 tors. eta vs tors. theta energy: -125.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1467.269108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.269108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.269108 (E_RNA) where: Base-Base interactions energy: -1052.862 where: short stacking energy: -419.072 Base-Backbone interact. energy: 3.558 local terms energy: -417.965116 where: bonds (distance) C4'-P energy: -76.479 bonds (distance) P-C4' energy: -66.003 flat angles C4'-P-C4' energy: -90.522 flat angles P-C4'-P energy: -66.982 tors. eta vs tors. theta energy: -117.979 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: 5, replica: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1435.106682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.106682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.106682 (E_RNA) where: Base-Base interactions energy: -1044.540 where: short stacking energy: -408.270 Base-Backbone interact. energy: -1.598 local terms energy: -388.968309 where: bonds (distance) C4'-P energy: -64.414 bonds (distance) P-C4' energy: -61.615 flat angles C4'-P-C4' energy: -80.363 flat angles P-C4'-P energy: -61.898 tors. eta vs tors. theta energy: -120.678 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: 4 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1435.329416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.329416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.329416 (E_RNA) where: Base-Base interactions energy: -1042.608 where: short stacking energy: -409.500 Base-Backbone interact. energy: -0.482 local terms energy: -392.239256 where: bonds (distance) C4'-P energy: -58.222 bonds (distance) P-C4' energy: -66.312 flat angles C4'-P-C4' energy: -82.690 flat angles P-C4'-P energy: -62.262 tors. eta vs tors. theta energy: -122.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1337.176813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.176813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.176813 (E_RNA) where: Base-Base interactions energy: -971.445 where: short stacking energy: -384.183 Base-Backbone interact. energy: -1.064 local terms energy: -364.668068 where: bonds (distance) C4'-P energy: -61.047 bonds (distance) P-C4' energy: -72.078 flat angles C4'-P-C4' energy: -78.926 flat angles P-C4'-P energy: -36.068 tors. eta vs tors. theta energy: -116.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1239.921501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.921501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.921501 (E_RNA) where: Base-Base interactions energy: -899.255 where: short stacking energy: -369.325 Base-Backbone interact. energy: -0.904 local terms energy: -339.763086 where: bonds (distance) C4'-P energy: -57.354 bonds (distance) P-C4' energy: -45.772 flat angles C4'-P-C4' energy: -84.139 flat angles P-C4'-P energy: -51.226 tors. eta vs tors. theta energy: -101.273 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: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1207.304807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.304807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.304807 (E_RNA) where: Base-Base interactions energy: -880.163 where: short stacking energy: -348.756 Base-Backbone interact. energy: -1.287 local terms energy: -325.855062 where: bonds (distance) C4'-P energy: -51.160 bonds (distance) P-C4' energy: -57.050 flat angles C4'-P-C4' energy: -62.862 flat angles P-C4'-P energy: -55.328 tors. eta vs tors. theta energy: -99.456 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: 8 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1048.786287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.786287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.786287 (E_RNA) where: Base-Base interactions energy: -759.164 where: short stacking energy: -319.047 Base-Backbone interact. energy: 0.776 local terms energy: -290.398469 where: bonds (distance) C4'-P energy: -57.206 bonds (distance) P-C4' energy: -53.271 flat angles C4'-P-C4' energy: -54.437 flat angles P-C4'-P energy: -41.419 tors. eta vs tors. theta energy: -84.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1670.891753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.891753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.891753 (E_RNA) where: Base-Base interactions energy: -1233.006 where: short stacking energy: -489.850 Base-Backbone interact. energy: 2.956 local terms energy: -440.841145 where: bonds (distance) C4'-P energy: -66.895 bonds (distance) P-C4' energy: -70.939 flat angles C4'-P-C4' energy: -94.455 flat angles P-C4'-P energy: -64.792 tors. eta vs tors. theta energy: -143.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1573.762434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.762434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.762434 (E_RNA) where: Base-Base interactions energy: -1142.276 where: short stacking energy: -423.317 Base-Backbone interact. energy: -1.519 local terms energy: -429.967442 where: bonds (distance) C4'-P energy: -70.335 bonds (distance) P-C4' energy: -78.252 flat angles C4'-P-C4' energy: -89.752 flat angles P-C4'-P energy: -67.497 tors. eta vs tors. theta energy: -124.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1560.878065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.878065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.878065 (E_RNA) where: Base-Base interactions energy: -1126.422 where: short stacking energy: -438.039 Base-Backbone interact. energy: -0.523 local terms energy: -433.932901 where: bonds (distance) C4'-P energy: -78.198 bonds (distance) P-C4' energy: -68.309 flat angles C4'-P-C4' energy: -89.300 flat angles P-C4'-P energy: -63.156 tors. eta vs tors. theta energy: -134.970 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: 1 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1477.448000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.448000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.448000 (E_RNA) where: Base-Base interactions energy: -1079.492 where: short stacking energy: -416.625 Base-Backbone interact. energy: 3.162 local terms energy: -401.117556 where: bonds (distance) C4'-P energy: -74.488 bonds (distance) P-C4' energy: -64.691 flat angles C4'-P-C4' energy: -84.551 flat angles P-C4'-P energy: -58.207 tors. eta vs tors. theta energy: -119.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1441.377057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.377057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.377057 (E_RNA) where: Base-Base interactions energy: -1048.147 where: short stacking energy: -381.432 Base-Backbone interact. energy: -1.255 local terms energy: -391.975735 where: bonds (distance) C4'-P energy: -75.647 bonds (distance) P-C4' energy: -70.280 flat angles C4'-P-C4' energy: -75.416 flat angles P-C4'-P energy: -60.533 tors. eta vs tors. theta energy: -110.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1378.961187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.961187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.961187 (E_RNA) where: Base-Base interactions energy: -1012.105 where: short stacking energy: -406.289 Base-Backbone interact. energy: -1.287 local terms energy: -365.569020 where: bonds (distance) C4'-P energy: -58.734 bonds (distance) P-C4' energy: -61.624 flat angles C4'-P-C4' energy: -73.635 flat angles P-C4'-P energy: -52.268 tors. eta vs tors. theta energy: -119.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1382.399623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.399623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.399623 (E_RNA) where: Base-Base interactions energy: -1007.856 where: short stacking energy: -382.795 Base-Backbone interact. energy: 0.918 local terms energy: -375.461825 where: bonds (distance) C4'-P energy: -65.318 bonds (distance) P-C4' energy: -63.663 flat angles C4'-P-C4' energy: -79.318 flat angles P-C4'-P energy: -51.217 tors. eta vs tors. theta energy: -115.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1208.080438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.080438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.080438 (E_RNA) where: Base-Base interactions energy: -865.623 where: short stacking energy: -347.647 Base-Backbone interact. energy: 1.204 local terms energy: -343.661649 where: bonds (distance) C4'-P energy: -56.396 bonds (distance) P-C4' energy: -69.664 flat angles C4'-P-C4' energy: -77.565 flat angles P-C4'-P energy: -41.904 tors. eta vs tors. theta energy: -98.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1260.683329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.683329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.683329 (E_RNA) where: Base-Base interactions energy: -909.807 where: short stacking energy: -336.187 Base-Backbone interact. energy: -2.406 local terms energy: -348.470463 where: bonds (distance) C4'-P energy: -69.125 bonds (distance) P-C4' energy: -68.240 flat angles C4'-P-C4' energy: -67.708 flat angles P-C4'-P energy: -46.313 tors. eta vs tors. theta energy: -97.085 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: 8 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -1053.849479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.849479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.849479 (E_RNA) where: Base-Base interactions energy: -760.600 where: short stacking energy: -292.494 Base-Backbone interact. energy: 0.452 local terms energy: -293.701290 where: bonds (distance) C4'-P energy: -64.096 bonds (distance) P-C4' energy: -50.838 flat angles C4'-P-C4' energy: -65.263 flat angles P-C4'-P energy: -31.708 tors. eta vs tors. theta energy: -81.795 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: 5 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1676.656627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.656627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.656627 (E_RNA) where: Base-Base interactions energy: -1219.027 where: short stacking energy: -468.379 Base-Backbone interact. energy: -0.263 local terms energy: -457.366241 where: bonds (distance) C4'-P energy: -69.258 bonds (distance) P-C4' energy: -75.369 flat angles C4'-P-C4' energy: -95.097 flat angles P-C4'-P energy: -70.991 tors. eta vs tors. theta energy: -146.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1581.939657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.939657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.939657 (E_RNA) where: Base-Base interactions energy: -1149.674 where: short stacking energy: -434.485 Base-Backbone interact. energy: 1.136 local terms energy: -433.401592 where: bonds (distance) C4'-P energy: -71.784 bonds (distance) P-C4' energy: -74.613 flat angles C4'-P-C4' energy: -98.156 flat angles P-C4'-P energy: -61.448 tors. eta vs tors. theta energy: -127.399 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: 218 Temperature: 1.000000 Total energy: -1558.855733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.855733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.855733 (E_RNA) where: Base-Base interactions energy: -1115.661 where: short stacking energy: -445.408 Base-Backbone interact. energy: -0.110 local terms energy: -443.084844 where: bonds (distance) C4'-P energy: -72.518 bonds (distance) P-C4' energy: -73.711 flat angles C4'-P-C4' energy: -92.852 flat angles P-C4'-P energy: -72.054 tors. eta vs tors. theta energy: -131.949 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: 4, replica: 1 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1454.073183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.073183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.073183 (E_RNA) where: Base-Base interactions energy: -1052.189 where: short stacking energy: -420.540 Base-Backbone interact. energy: -0.432 local terms energy: -401.452983 where: bonds (distance) C4'-P energy: -69.734 bonds (distance) P-C4' energy: -73.484 flat angles C4'-P-C4' energy: -89.633 flat angles P-C4'-P energy: -53.676 tors. eta vs tors. theta energy: -114.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1432.069370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.069370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.069370 (E_RNA) where: Base-Base interactions energy: -1027.911 where: short stacking energy: -409.679 Base-Backbone interact. energy: -3.644 local terms energy: -400.513826 where: bonds (distance) C4'-P energy: -67.892 bonds (distance) P-C4' energy: -73.253 flat angles C4'-P-C4' energy: -81.224 flat angles P-C4'-P energy: -56.722 tors. eta vs tors. theta energy: -121.424 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: 6, replica: 3 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1382.572913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.572913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.572913 (E_RNA) where: Base-Base interactions energy: -994.612 where: short stacking energy: -396.193 Base-Backbone interact. energy: 0.760 local terms energy: -388.721189 where: bonds (distance) C4'-P energy: -62.560 bonds (distance) P-C4' energy: -62.694 flat angles C4'-P-C4' energy: -83.243 flat angles P-C4'-P energy: -63.105 tors. eta vs tors. theta energy: -117.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1374.542519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.542519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.542519 (E_RNA) where: Base-Base interactions energy: -987.666 where: short stacking energy: -387.360 Base-Backbone interact. energy: 0.838 local terms energy: -387.714380 where: bonds (distance) C4'-P energy: -70.084 bonds (distance) P-C4' energy: -72.311 flat angles C4'-P-C4' energy: -82.102 flat angles P-C4'-P energy: -48.891 tors. eta vs tors. theta energy: -114.326 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: 2 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1240.905190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.905190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.905190 (E_RNA) where: Base-Base interactions energy: -889.077 where: short stacking energy: -344.388 Base-Backbone interact. energy: 1.726 local terms energy: -353.553401 where: bonds (distance) C4'-P energy: -51.405 bonds (distance) P-C4' energy: -74.361 flat angles C4'-P-C4' energy: -76.972 flat angles P-C4'-P energy: -49.220 tors. eta vs tors. theta energy: -101.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1230.388874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.388874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.388874 (E_RNA) where: Base-Base interactions energy: -901.728 where: short stacking energy: -346.193 Base-Backbone interact. energy: -0.186 local terms energy: -328.475012 where: bonds (distance) C4'-P energy: -53.654 bonds (distance) P-C4' energy: -69.603 flat angles C4'-P-C4' energy: -67.100 flat angles P-C4'-P energy: -39.836 tors. eta vs tors. theta energy: -98.282 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: 10, replica: 8 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -1056.492403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.492403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.492403 (E_RNA) where: Base-Base interactions energy: -774.271 where: short stacking energy: -308.595 Base-Backbone interact. energy: 2.494 local terms energy: -284.715479 where: bonds (distance) C4'-P energy: -36.229 bonds (distance) P-C4' energy: -65.438 flat angles C4'-P-C4' energy: -75.068 flat angles P-C4'-P energy: -33.426 tors. eta vs tors. theta energy: -74.554 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: 5 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1683.453110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.453110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.453110 (E_RNA) where: Base-Base interactions energy: -1229.469 where: short stacking energy: -481.955 Base-Backbone interact. energy: -0.984 local terms energy: -453.000174 where: bonds (distance) C4'-P energy: -78.671 bonds (distance) P-C4' energy: -72.871 flat angles C4'-P-C4' energy: -85.236 flat angles P-C4'-P energy: -73.300 tors. eta vs tors. theta energy: -142.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1571.581938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.581938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.581938 (E_RNA) where: Base-Base interactions energy: -1161.965 where: short stacking energy: -438.589 Base-Backbone interact. energy: -0.898 local terms energy: -408.718708 where: bonds (distance) C4'-P energy: -65.613 bonds (distance) P-C4' energy: -67.339 flat angles C4'-P-C4' energy: -86.713 flat angles P-C4'-P energy: -63.456 tors. eta vs tors. theta energy: -125.598 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: 219 Temperature: 1.000000 Total energy: -1563.248391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.248391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.248391 (E_RNA) where: Base-Base interactions energy: -1120.957 where: short stacking energy: -441.783 Base-Backbone interact. energy: -1.197 local terms energy: -441.093913 where: bonds (distance) C4'-P energy: -77.925 bonds (distance) P-C4' energy: -69.865 flat angles C4'-P-C4' energy: -88.683 flat angles P-C4'-P energy: -67.293 tors. eta vs tors. theta energy: -137.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1474.474840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.474840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.474840 (E_RNA) where: Base-Base interactions energy: -1075.879 where: short stacking energy: -415.128 Base-Backbone interact. energy: -0.054 local terms energy: -398.541956 where: bonds (distance) C4'-P energy: -62.157 bonds (distance) P-C4' energy: -69.303 flat angles C4'-P-C4' energy: -80.278 flat angles P-C4'-P energy: -66.494 tors. eta vs tors. theta energy: -120.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1433.229229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.229229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.229229 (E_RNA) where: Base-Base interactions energy: -1048.488 where: short stacking energy: -393.902 Base-Backbone interact. energy: -2.128 local terms energy: -382.613351 where: bonds (distance) C4'-P energy: -49.059 bonds (distance) P-C4' energy: -74.281 flat angles C4'-P-C4' energy: -84.850 flat angles P-C4'-P energy: -60.068 tors. eta vs tors. theta energy: -114.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1419.386518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.386518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.386518 (E_RNA) where: Base-Base interactions energy: -1037.853 where: short stacking energy: -394.202 Base-Backbone interact. energy: 0.396 local terms energy: -381.928724 where: bonds (distance) C4'-P energy: -69.975 bonds (distance) P-C4' energy: -70.644 flat angles C4'-P-C4' energy: -78.673 flat angles P-C4'-P energy: -50.238 tors. eta vs tors. theta energy: -112.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1329.140970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.140970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.140970 (E_RNA) where: Base-Base interactions energy: -960.358 where: short stacking energy: -376.536 Base-Backbone interact. energy: -0.216 local terms energy: -368.566612 where: bonds (distance) C4'-P energy: -63.661 bonds (distance) P-C4' energy: -57.979 flat angles C4'-P-C4' energy: -83.690 flat angles P-C4'-P energy: -51.496 tors. eta vs tors. theta energy: -111.741 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: 8, replica: 7 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1243.340067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.340067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.340067 (E_RNA) where: Base-Base interactions energy: -888.854 where: short stacking energy: -346.839 Base-Backbone interact. energy: -0.156 local terms energy: -354.329960 where: bonds (distance) C4'-P energy: -55.827 bonds (distance) P-C4' energy: -65.794 flat angles C4'-P-C4' energy: -81.917 flat angles P-C4'-P energy: -44.873 tors. eta vs tors. theta energy: -105.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1218.729741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.729741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.729741 (E_RNA) where: Base-Base interactions energy: -884.617 where: short stacking energy: -338.880 Base-Backbone interact. energy: -1.218 local terms energy: -332.894616 where: bonds (distance) C4'-P energy: -60.218 bonds (distance) P-C4' energy: -68.988 flat angles C4'-P-C4' energy: -71.915 flat angles P-C4'-P energy: -37.549 tors. eta vs tors. theta energy: -94.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -1054.831137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.831137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.831137 (E_RNA) where: Base-Base interactions energy: -737.531 where: short stacking energy: -286.564 Base-Backbone interact. energy: 0.307 local terms energy: -317.607775 where: bonds (distance) C4'-P energy: -61.768 bonds (distance) P-C4' energy: -64.606 flat angles C4'-P-C4' energy: -72.982 flat angles P-C4'-P energy: -35.342 tors. eta vs tors. theta energy: -82.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1680.975420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.975420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.975420 (E_RNA) where: Base-Base interactions energy: -1239.461 where: short stacking energy: -484.843 Base-Backbone interact. energy: 1.404 local terms energy: -442.918890 where: bonds (distance) C4'-P energy: -64.767 bonds (distance) P-C4' energy: -87.229 flat angles C4'-P-C4' energy: -84.976 flat angles P-C4'-P energy: -61.746 tors. eta vs tors. theta energy: -144.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1576.203351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.203351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.203351 (E_RNA) where: Base-Base interactions energy: -1166.591 where: short stacking energy: -450.012 Base-Backbone interact. energy: -0.779 local terms energy: -408.833710 where: bonds (distance) C4'-P energy: -67.829 bonds (distance) P-C4' energy: -65.706 flat angles C4'-P-C4' energy: -89.642 flat angles P-C4'-P energy: -62.947 tors. eta vs tors. theta energy: -122.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1556.769290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.769290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.769290 (E_RNA) where: Base-Base interactions energy: -1117.106 where: short stacking energy: -449.154 Base-Backbone interact. energy: -0.666 local terms energy: -438.996858 where: bonds (distance) C4'-P energy: -70.124 bonds (distance) P-C4' energy: -81.002 flat angles C4'-P-C4' energy: -90.247 flat angles P-C4'-P energy: -60.539 tors. eta vs tors. theta energy: -137.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1465.468420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.468420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.468420 (E_RNA) where: Base-Base interactions energy: -1073.747 where: short stacking energy: -431.118 Base-Backbone interact. energy: -1.302 local terms energy: -390.419724 where: bonds (distance) C4'-P energy: -67.860 bonds (distance) P-C4' energy: -54.889 flat angles C4'-P-C4' energy: -81.578 flat angles P-C4'-P energy: -57.077 tors. eta vs tors. theta energy: -129.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1468.495743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.495743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.495743 (E_RNA) where: Base-Base interactions energy: -1055.538 where: short stacking energy: -409.464 Base-Backbone interact. energy: -0.904 local terms energy: -412.053533 where: bonds (distance) C4'-P energy: -71.689 bonds (distance) P-C4' energy: -71.144 flat angles C4'-P-C4' energy: -86.278 flat angles P-C4'-P energy: -54.788 tors. eta vs tors. theta energy: -128.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1410.191143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.191143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.191143 (E_RNA) where: Base-Base interactions energy: -1036.655 where: short stacking energy: -410.018 Base-Backbone interact. energy: -2.096 local terms energy: -371.440673 where: bonds (distance) C4'-P energy: -67.926 bonds (distance) P-C4' energy: -63.894 flat angles C4'-P-C4' energy: -67.234 flat angles P-C4'-P energy: -53.284 tors. eta vs tors. theta energy: -119.103 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: 3 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1342.405375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.405375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.405375 (E_RNA) where: Base-Base interactions energy: -970.348 where: short stacking energy: -393.218 Base-Backbone interact. energy: -0.600 local terms energy: -371.457070 where: bonds (distance) C4'-P energy: -66.836 bonds (distance) P-C4' energy: -56.945 flat angles C4'-P-C4' energy: -79.484 flat angles P-C4'-P energy: -55.886 tors. eta vs tors. theta energy: -112.306 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: 7 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1260.114685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.114685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.114685 (E_RNA) where: Base-Base interactions energy: -891.223 where: short stacking energy: -332.899 Base-Backbone interact. energy: -0.262 local terms energy: -368.629159 where: bonds (distance) C4'-P energy: -61.601 bonds (distance) P-C4' energy: -74.564 flat angles C4'-P-C4' energy: -81.303 flat angles P-C4'-P energy: -43.193 tors. eta vs tors. theta energy: -107.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1200.929528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.929528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.929528 (E_RNA) where: Base-Base interactions energy: -859.943 where: short stacking energy: -328.593 Base-Backbone interact. energy: 2.518 local terms energy: -343.504840 where: bonds (distance) C4'-P energy: -68.798 bonds (distance) P-C4' energy: -71.951 flat angles C4'-P-C4' energy: -71.727 flat angles P-C4'-P energy: -44.953 tors. eta vs tors. theta energy: -86.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -1046.162393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.162393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.162393 (E_RNA) where: Base-Base interactions energy: -742.669 where: short stacking energy: -305.741 Base-Backbone interact. energy: -0.115 local terms energy: -303.377936 where: bonds (distance) C4'-P energy: -50.570 bonds (distance) P-C4' energy: -64.915 flat angles C4'-P-C4' energy: -65.221 flat angles P-C4'-P energy: -37.578 tors. eta vs tors. theta energy: -85.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1692.075031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.075031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.075031 (E_RNA) where: Base-Base interactions energy: -1240.196 where: short stacking energy: -491.982 Base-Backbone interact. energy: -0.304 local terms energy: -451.574733 where: bonds (distance) C4'-P energy: -73.995 bonds (distance) P-C4' energy: -80.257 flat angles C4'-P-C4' energy: -91.583 flat angles P-C4'-P energy: -60.273 tors. eta vs tors. theta energy: -145.467 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: 9 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1579.776777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.776777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.776777 (E_RNA) where: Base-Base interactions energy: -1159.069 where: short stacking energy: -439.690 Base-Backbone interact. energy: 0.744 local terms energy: -421.451773 where: bonds (distance) C4'-P energy: -78.804 bonds (distance) P-C4' energy: -72.313 flat angles C4'-P-C4' energy: -92.543 flat angles P-C4'-P energy: -57.735 tors. eta vs tors. theta energy: -120.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1549.096061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.096061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.096061 (E_RNA) where: Base-Base interactions energy: -1117.495 where: short stacking energy: -449.181 Base-Backbone interact. energy: -2.121 local terms energy: -429.479255 where: bonds (distance) C4'-P energy: -74.245 bonds (distance) P-C4' energy: -70.496 flat angles C4'-P-C4' energy: -81.898 flat angles P-C4'-P energy: -61.915 tors. eta vs tors. theta energy: -140.925 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: 1 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1440.528100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.528100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.528100 (E_RNA) where: Base-Base interactions energy: -1034.813 where: short stacking energy: -406.999 Base-Backbone interact. energy: -2.174 local terms energy: -403.540960 where: bonds (distance) C4'-P energy: -54.992 bonds (distance) P-C4' energy: -72.370 flat angles C4'-P-C4' energy: -88.698 flat angles P-C4'-P energy: -64.929 tors. eta vs tors. theta energy: -122.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1454.417888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.417888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.417888 (E_RNA) where: Base-Base interactions energy: -1054.920 where: short stacking energy: -398.905 Base-Backbone interact. energy: -1.746 local terms energy: -397.751616 where: bonds (distance) C4'-P energy: -74.662 bonds (distance) P-C4' energy: -72.052 flat angles C4'-P-C4' energy: -81.645 flat angles P-C4'-P energy: -51.705 tors. eta vs tors. theta energy: -117.687 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: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1416.448753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.448753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.448753 (E_RNA) where: Base-Base interactions energy: -1031.655 where: short stacking energy: -403.687 Base-Backbone interact. energy: -1.754 local terms energy: -383.039774 where: bonds (distance) C4'-P energy: -74.383 bonds (distance) P-C4' energy: -61.836 flat angles C4'-P-C4' energy: -77.332 flat angles P-C4'-P energy: -51.949 tors. eta vs tors. theta energy: -117.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1342.738794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.738794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.738794 (E_RNA) where: Base-Base interactions energy: -974.489 where: short stacking energy: -370.322 Base-Backbone interact. energy: -0.446 local terms energy: -367.803881 where: bonds (distance) C4'-P energy: -56.816 bonds (distance) P-C4' energy: -75.369 flat angles C4'-P-C4' energy: -75.086 flat angles P-C4'-P energy: -54.239 tors. eta vs tors. theta energy: -106.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1270.747569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.747569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.747569 (E_RNA) where: Base-Base interactions energy: -916.208 where: short stacking energy: -353.647 Base-Backbone interact. energy: -0.367 local terms energy: -354.172582 where: bonds (distance) C4'-P energy: -57.611 bonds (distance) P-C4' energy: -63.024 flat angles C4'-P-C4' energy: -77.275 flat angles P-C4'-P energy: -51.599 tors. eta vs tors. theta energy: -104.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1201.784955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.784955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.784955 (E_RNA) where: Base-Base interactions energy: -854.430 where: short stacking energy: -341.559 Base-Backbone interact. energy: -1.537 local terms energy: -345.818013 where: bonds (distance) C4'-P energy: -50.191 bonds (distance) P-C4' energy: -70.013 flat angles C4'-P-C4' energy: -81.222 flat angles P-C4'-P energy: -45.053 tors. eta vs tors. theta energy: -99.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -1051.864658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.864658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.864658 (E_RNA) where: Base-Base interactions energy: -733.079 where: short stacking energy: -309.855 Base-Backbone interact. energy: -0.880 local terms energy: -317.905351 where: bonds (distance) C4'-P energy: -56.796 bonds (distance) P-C4' energy: -58.628 flat angles C4'-P-C4' energy: -63.835 flat angles P-C4'-P energy: -57.124 tors. eta vs tors. theta energy: -81.523 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: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1697.645092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.645092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.645092 (E_RNA) where: Base-Base interactions energy: -1225.786 where: short stacking energy: -492.803 Base-Backbone interact. energy: -0.079 local terms energy: -471.780168 where: bonds (distance) C4'-P energy: -82.479 bonds (distance) P-C4' energy: -81.264 flat angles C4'-P-C4' energy: -91.788 flat angles P-C4'-P energy: -67.223 tors. eta vs tors. theta energy: -149.026 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: 9 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1574.339710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.339710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.339710 (E_RNA) where: Base-Base interactions energy: -1155.108 where: short stacking energy: -422.674 Base-Backbone interact. energy: 7.845 local terms energy: -427.076788 where: bonds (distance) C4'-P energy: -75.600 bonds (distance) P-C4' energy: -76.979 flat angles C4'-P-C4' energy: -84.162 flat angles P-C4'-P energy: -69.441 tors. eta vs tors. theta energy: -120.895 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: 222 Temperature: 1.000000 Total energy: -1544.543435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.543435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.543435 (E_RNA) where: Base-Base interactions energy: -1125.161 where: short stacking energy: -434.300 Base-Backbone interact. energy: -0.506 local terms energy: -418.876186 where: bonds (distance) C4'-P energy: -74.056 bonds (distance) P-C4' energy: -72.573 flat angles C4'-P-C4' energy: -84.658 flat angles P-C4'-P energy: -63.424 tors. eta vs tors. theta energy: -124.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1474.430188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.430188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.430188 (E_RNA) where: Base-Base interactions energy: -1071.373 where: short stacking energy: -417.315 Base-Backbone interact. energy: 0.576 local terms energy: -403.633621 where: bonds (distance) C4'-P energy: -60.458 bonds (distance) P-C4' energy: -73.991 flat angles C4'-P-C4' energy: -85.724 flat angles P-C4'-P energy: -57.073 tors. eta vs tors. theta energy: -126.388 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: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1423.710713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.710713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.710713 (E_RNA) where: Base-Base interactions energy: -1036.234 where: short stacking energy: -403.214 Base-Backbone interact. energy: 1.820 local terms energy: -389.296908 where: bonds (distance) C4'-P energy: -68.987 bonds (distance) P-C4' energy: -63.524 flat angles C4'-P-C4' energy: -90.053 flat angles P-C4'-P energy: -47.444 tors. eta vs tors. theta energy: -119.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1410.898860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.898860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.898860 (E_RNA) where: Base-Base interactions energy: -1021.188 where: short stacking energy: -396.247 Base-Backbone interact. energy: -1.026 local terms energy: -388.684845 where: bonds (distance) C4'-P energy: -55.654 bonds (distance) P-C4' energy: -72.138 flat angles C4'-P-C4' energy: -85.186 flat angles P-C4'-P energy: -59.994 tors. eta vs tors. theta energy: -115.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1357.131146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.131146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.131146 (E_RNA) where: Base-Base interactions energy: -988.343 where: short stacking energy: -380.937 Base-Backbone interact. energy: -0.372 local terms energy: -368.416073 where: bonds (distance) C4'-P energy: -57.189 bonds (distance) P-C4' energy: -57.590 flat angles C4'-P-C4' energy: -77.657 flat angles P-C4'-P energy: -62.197 tors. eta vs tors. theta energy: -113.783 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: 222 Temperature: 1.250000 Total energy: -1244.699121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.699121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.699121 (E_RNA) where: Base-Base interactions energy: -886.987 where: short stacking energy: -354.119 Base-Backbone interact. energy: -0.901 local terms energy: -356.810816 where: bonds (distance) C4'-P energy: -46.998 bonds (distance) P-C4' energy: -74.715 flat angles C4'-P-C4' energy: -83.691 flat angles P-C4'-P energy: -49.717 tors. eta vs tors. theta energy: -101.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1204.623562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.623562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.623562 (E_RNA) where: Base-Base interactions energy: -882.585 where: short stacking energy: -349.606 Base-Backbone interact. energy: -1.138 local terms energy: -320.899839 where: bonds (distance) C4'-P energy: -47.500 bonds (distance) P-C4' energy: -46.405 flat angles C4'-P-C4' energy: -78.641 flat angles P-C4'-P energy: -49.150 tors. eta vs tors. theta energy: -99.204 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: 8 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -1032.355563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.355563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.355563 (E_RNA) where: Base-Base interactions energy: -740.652 where: short stacking energy: -302.039 Base-Backbone interact. energy: -1.475 local terms energy: -290.228200 where: bonds (distance) C4'-P energy: -56.658 bonds (distance) P-C4' energy: -55.887 flat angles C4'-P-C4' energy: -67.194 flat angles P-C4'-P energy: -33.234 tors. eta vs tors. theta energy: -77.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1687.087782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.087782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.087782 (E_RNA) where: Base-Base interactions energy: -1230.945 where: short stacking energy: -482.977 Base-Backbone interact. energy: -0.801 local terms energy: -455.341802 where: bonds (distance) C4'-P energy: -74.579 bonds (distance) P-C4' energy: -69.384 flat angles C4'-P-C4' energy: -96.114 flat angles P-C4'-P energy: -68.151 tors. eta vs tors. theta energy: -147.114 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: 9 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1585.903753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.903753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.903753 (E_RNA) where: Base-Base interactions energy: -1154.134 where: short stacking energy: -430.143 Base-Backbone interact. energy: 3.056 local terms energy: -434.826322 where: bonds (distance) C4'-P energy: -75.326 bonds (distance) P-C4' energy: -72.496 flat angles C4'-P-C4' energy: -94.825 flat angles P-C4'-P energy: -68.814 tors. eta vs tors. theta energy: -123.365 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: 10 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1550.503937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.503937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.503937 (E_RNA) where: Base-Base interactions energy: -1117.299 where: short stacking energy: -435.823 Base-Backbone interact. energy: -1.187 local terms energy: -432.018465 where: bonds (distance) C4'-P energy: -72.541 bonds (distance) P-C4' energy: -73.338 flat angles C4'-P-C4' energy: -93.329 flat angles P-C4'-P energy: -60.810 tors. eta vs tors. theta energy: -132.001 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: 4, replica: 1 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1468.706812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.706812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.706812 (E_RNA) where: Base-Base interactions energy: -1055.158 where: short stacking energy: -422.634 Base-Backbone interact. energy: -0.498 local terms energy: -413.051400 where: bonds (distance) C4'-P energy: -76.183 bonds (distance) P-C4' energy: -75.494 flat angles C4'-P-C4' energy: -82.938 flat angles P-C4'-P energy: -54.912 tors. eta vs tors. theta energy: -123.526 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: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1450.198660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.198660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.198660 (E_RNA) where: Base-Base interactions energy: -1069.036 where: short stacking energy: -408.993 Base-Backbone interact. energy: -1.679 local terms energy: -379.483454 where: bonds (distance) C4'-P energy: -57.131 bonds (distance) P-C4' energy: -73.122 flat angles C4'-P-C4' energy: -79.324 flat angles P-C4'-P energy: -52.403 tors. eta vs tors. theta energy: -117.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1427.458433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.458433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.458433 (E_RNA) where: Base-Base interactions energy: -1052.458 where: short stacking energy: -397.076 Base-Backbone interact. energy: 2.787 local terms energy: -377.787443 where: bonds (distance) C4'-P energy: -50.951 bonds (distance) P-C4' energy: -69.114 flat angles C4'-P-C4' energy: -87.058 flat angles P-C4'-P energy: -62.150 tors. eta vs tors. theta energy: -108.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1348.593254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.593254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.593254 (E_RNA) where: Base-Base interactions energy: -971.190 where: short stacking energy: -379.373 Base-Backbone interact. energy: -0.921 local terms energy: -376.482350 where: bonds (distance) C4'-P energy: -54.829 bonds (distance) P-C4' energy: -64.156 flat angles C4'-P-C4' energy: -82.723 flat angles P-C4'-P energy: -61.704 tors. eta vs tors. theta energy: -113.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1271.366347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.366347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.366347 (E_RNA) where: Base-Base interactions energy: -906.569 where: short stacking energy: -333.145 Base-Backbone interact. energy: 0.350 local terms energy: -365.148324 where: bonds (distance) C4'-P energy: -63.977 bonds (distance) P-C4' energy: -70.439 flat angles C4'-P-C4' energy: -76.441 flat angles P-C4'-P energy: -51.396 tors. eta vs tors. theta energy: -102.895 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: 9, replica: 2 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1232.004503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.004503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.004503 (E_RNA) where: Base-Base interactions energy: -894.965 where: short stacking energy: -363.388 Base-Backbone interact. energy: 3.838 local terms energy: -340.877505 where: bonds (distance) C4'-P energy: -53.615 bonds (distance) P-C4' energy: -60.327 flat angles C4'-P-C4' energy: -68.859 flat angles P-C4'-P energy: -53.389 tors. eta vs tors. theta energy: -104.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -1061.648889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.648889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.648889 (E_RNA) where: Base-Base interactions energy: -757.411 where: short stacking energy: -301.444 Base-Backbone interact. energy: -0.998 local terms energy: -303.239757 where: bonds (distance) C4'-P energy: -67.384 bonds (distance) P-C4' energy: -54.694 flat angles C4'-P-C4' energy: -70.112 flat angles P-C4'-P energy: -35.661 tors. eta vs tors. theta energy: -75.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1687.384804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.384804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.384804 (E_RNA) where: Base-Base interactions energy: -1225.606 where: short stacking energy: -480.014 Base-Backbone interact. energy: -0.059 local terms energy: -461.719346 where: bonds (distance) C4'-P energy: -80.203 bonds (distance) P-C4' energy: -79.855 flat angles C4'-P-C4' energy: -89.113 flat angles P-C4'-P energy: -69.554 tors. eta vs tors. theta energy: -142.994 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: 9 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1581.187002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.187002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.187002 (E_RNA) where: Base-Base interactions energy: -1144.113 where: short stacking energy: -432.293 Base-Backbone interact. energy: -2.272 local terms energy: -434.802057 where: bonds (distance) C4'-P energy: -76.681 bonds (distance) P-C4' energy: -82.381 flat angles C4'-P-C4' energy: -89.436 flat angles P-C4'-P energy: -58.068 tors. eta vs tors. theta energy: -128.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1565.787034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.787034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.787034 (E_RNA) where: Base-Base interactions energy: -1131.759 where: short stacking energy: -446.800 Base-Backbone interact. energy: -1.138 local terms energy: -432.890855 where: bonds (distance) C4'-P energy: -72.571 bonds (distance) P-C4' energy: -71.305 flat angles C4'-P-C4' energy: -86.858 flat angles P-C4'-P energy: -64.859 tors. eta vs tors. theta energy: -137.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1499.946960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.946960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.946960 (E_RNA) where: Base-Base interactions energy: -1078.869 where: short stacking energy: -414.776 Base-Backbone interact. energy: 1.022 local terms energy: -422.100774 where: bonds (distance) C4'-P energy: -77.799 bonds (distance) P-C4' energy: -74.312 flat angles C4'-P-C4' energy: -86.463 flat angles P-C4'-P energy: -63.514 tors. eta vs tors. theta energy: -120.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1461.380800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.380800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.380800 (E_RNA) where: Base-Base interactions energy: -1062.302 where: short stacking energy: -405.432 Base-Backbone interact. energy: -3.335 local terms energy: -395.743739 where: bonds (distance) C4'-P energy: -66.737 bonds (distance) P-C4' energy: -71.144 flat angles C4'-P-C4' energy: -78.885 flat angles P-C4'-P energy: -58.532 tors. eta vs tors. theta energy: -120.446 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: 4 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1412.768424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.768424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.768424 (E_RNA) where: Base-Base interactions energy: -1039.822 where: short stacking energy: -387.598 Base-Backbone interact. energy: 2.562 local terms energy: -375.508479 where: bonds (distance) C4'-P energy: -60.057 bonds (distance) P-C4' energy: -71.971 flat angles C4'-P-C4' energy: -78.723 flat angles P-C4'-P energy: -58.375 tors. eta vs tors. theta energy: -106.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1359.148634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.148634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.148634 (E_RNA) where: Base-Base interactions energy: -974.670 where: short stacking energy: -383.271 Base-Backbone interact. energy: 0.895 local terms energy: -385.373537 where: bonds (distance) C4'-P energy: -59.298 bonds (distance) P-C4' energy: -74.152 flat angles C4'-P-C4' energy: -78.353 flat angles P-C4'-P energy: -58.081 tors. eta vs tors. theta energy: -115.489 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: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1232.692345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.692345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.692345 (E_RNA) where: Base-Base interactions energy: -882.228 where: short stacking energy: -337.821 Base-Backbone interact. energy: 1.632 local terms energy: -352.096279 where: bonds (distance) C4'-P energy: -57.697 bonds (distance) P-C4' energy: -70.755 flat angles C4'-P-C4' energy: -77.267 flat angles P-C4'-P energy: -50.849 tors. eta vs tors. theta energy: -95.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1181.595405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.595405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.595405 (E_RNA) where: Base-Base interactions energy: -853.178 where: short stacking energy: -332.521 Base-Backbone interact. energy: -1.549 local terms energy: -326.868943 where: bonds (distance) C4'-P energy: -50.490 bonds (distance) P-C4' energy: -62.229 flat angles C4'-P-C4' energy: -70.480 flat angles P-C4'-P energy: -54.104 tors. eta vs tors. theta energy: -89.566 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: 8 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -1072.469054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.469054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.469054 (E_RNA) where: Base-Base interactions energy: -772.009 where: short stacking energy: -306.883 Base-Backbone interact. energy: -0.822 local terms energy: -299.638268 where: bonds (distance) C4'-P energy: -63.427 bonds (distance) P-C4' energy: -60.505 flat angles C4'-P-C4' energy: -64.661 flat angles P-C4'-P energy: -32.548 tors. eta vs tors. theta energy: -78.496 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: 1, replica: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1691.357399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.357399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.357399 (E_RNA) where: Base-Base interactions energy: -1241.418 where: short stacking energy: -487.231 Base-Backbone interact. energy: -0.200 local terms energy: -449.739387 where: bonds (distance) C4'-P energy: -73.991 bonds (distance) P-C4' energy: -72.478 flat angles C4'-P-C4' energy: -92.019 flat angles P-C4'-P energy: -64.159 tors. eta vs tors. theta energy: -147.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1579.395954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.395954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.395954 (E_RNA) where: Base-Base interactions energy: -1138.722 where: short stacking energy: -413.650 Base-Backbone interact. energy: -1.295 local terms energy: -439.378408 where: bonds (distance) C4'-P energy: -82.200 bonds (distance) P-C4' energy: -77.561 flat angles C4'-P-C4' energy: -88.231 flat angles P-C4'-P energy: -67.404 tors. eta vs tors. theta energy: -123.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1566.087626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.087626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.087626 (E_RNA) where: Base-Base interactions energy: -1136.027 where: short stacking energy: -452.828 Base-Backbone interact. energy: -0.991 local terms energy: -429.069280 where: bonds (distance) C4'-P energy: -65.453 bonds (distance) P-C4' energy: -79.583 flat angles C4'-P-C4' energy: -88.009 flat angles P-C4'-P energy: -63.752 tors. eta vs tors. theta energy: -132.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1466.099046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.099046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.099046 (E_RNA) where: Base-Base interactions energy: -1068.028 where: short stacking energy: -425.435 Base-Backbone interact. energy: -0.652 local terms energy: -397.419054 where: bonds (distance) C4'-P energy: -72.591 bonds (distance) P-C4' energy: -69.181 flat angles C4'-P-C4' energy: -83.142 flat angles P-C4'-P energy: -50.907 tors. eta vs tors. theta energy: -121.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1439.753505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.753505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.753505 (E_RNA) where: Base-Base interactions energy: -1057.277 where: short stacking energy: -404.023 Base-Backbone interact. energy: -1.921 local terms energy: -380.555745 where: bonds (distance) C4'-P energy: -58.527 bonds (distance) P-C4' energy: -69.866 flat angles C4'-P-C4' energy: -79.525 flat angles P-C4'-P energy: -62.149 tors. eta vs tors. theta energy: -110.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1407.524867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.524867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.524867 (E_RNA) where: Base-Base interactions energy: -1008.235 where: short stacking energy: -397.571 Base-Backbone interact. energy: 0.670 local terms energy: -399.960015 where: bonds (distance) C4'-P energy: -68.989 bonds (distance) P-C4' energy: -76.840 flat angles C4'-P-C4' energy: -88.631 flat angles P-C4'-P energy: -59.556 tors. eta vs tors. theta energy: -105.943 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: 3 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1348.491453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.491453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.491453 (E_RNA) where: Base-Base interactions energy: -965.175 where: short stacking energy: -383.793 Base-Backbone interact. energy: -0.791 local terms energy: -382.526084 where: bonds (distance) C4'-P energy: -75.648 bonds (distance) P-C4' energy: -65.221 flat angles C4'-P-C4' energy: -72.652 flat angles P-C4'-P energy: -47.235 tors. eta vs tors. theta energy: -121.771 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: 8, replica: 7 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1259.881546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.881546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.881546 (E_RNA) where: Base-Base interactions energy: -914.747 where: short stacking energy: -348.973 Base-Backbone interact. energy: 2.618 local terms energy: -347.752749 where: bonds (distance) C4'-P energy: -62.948 bonds (distance) P-C4' energy: -62.638 flat angles C4'-P-C4' energy: -75.218 flat angles P-C4'-P energy: -48.787 tors. eta vs tors. theta energy: -98.162 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: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1193.412356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.412356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.412356 (E_RNA) where: Base-Base interactions energy: -854.728 where: short stacking energy: -331.594 Base-Backbone interact. energy: 1.328 local terms energy: -340.011847 where: bonds (distance) C4'-P energy: -64.034 bonds (distance) P-C4' energy: -61.352 flat angles C4'-P-C4' energy: -71.709 flat angles P-C4'-P energy: -47.630 tors. eta vs tors. theta energy: -95.288 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: 8 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -1018.849038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.849038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.849038 (E_RNA) where: Base-Base interactions energy: -741.214 where: short stacking energy: -286.697 Base-Backbone interact. energy: -0.789 local terms energy: -276.846242 where: bonds (distance) C4'-P energy: -51.571 bonds (distance) P-C4' energy: -47.342 flat angles C4'-P-C4' energy: -63.210 flat angles P-C4'-P energy: -43.239 tors. eta vs tors. theta energy: -71.484 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: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1685.381236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.381236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.381236 (E_RNA) where: Base-Base interactions energy: -1229.311 where: short stacking energy: -484.522 Base-Backbone interact. energy: -0.480 local terms energy: -455.589595 where: bonds (distance) C4'-P energy: -77.516 bonds (distance) P-C4' energy: -74.798 flat angles C4'-P-C4' energy: -92.970 flat angles P-C4'-P energy: -63.589 tors. eta vs tors. theta energy: -146.717 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: 9 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1578.492163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.492163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.492163 (E_RNA) where: Base-Base interactions energy: -1162.687 where: short stacking energy: -444.126 Base-Backbone interact. energy: 0.320 local terms energy: -416.125409 where: bonds (distance) C4'-P energy: -69.042 bonds (distance) P-C4' energy: -57.995 flat angles C4'-P-C4' energy: -92.766 flat angles P-C4'-P energy: -68.129 tors. eta vs tors. theta energy: -128.194 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: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1567.351212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.351212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.351212 (E_RNA) where: Base-Base interactions energy: -1138.791 where: short stacking energy: -456.960 Base-Backbone interact. energy: -0.882 local terms energy: -427.678125 where: bonds (distance) C4'-P energy: -77.262 bonds (distance) P-C4' energy: -69.842 flat angles C4'-P-C4' energy: -86.946 flat angles P-C4'-P energy: -60.213 tors. eta vs tors. theta energy: -133.416 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: 1 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1470.891924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.891924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.891924 (E_RNA) where: Base-Base interactions energy: -1068.671 where: short stacking energy: -423.751 Base-Backbone interact. energy: 5.133 local terms energy: -407.354413 where: bonds (distance) C4'-P energy: -66.524 bonds (distance) P-C4' energy: -75.152 flat angles C4'-P-C4' energy: -83.420 flat angles P-C4'-P energy: -66.737 tors. eta vs tors. theta energy: -115.522 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: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1465.295594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.295594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.295594 (E_RNA) where: Base-Base interactions energy: -1070.694 where: short stacking energy: -419.626 Base-Backbone interact. energy: 1.757 local terms energy: -396.358586 where: bonds (distance) C4'-P energy: -71.080 bonds (distance) P-C4' energy: -58.197 flat angles C4'-P-C4' energy: -88.051 flat angles P-C4'-P energy: -59.121 tors. eta vs tors. theta energy: -119.910 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: 6, replica: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1403.111014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.111014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.111014 (E_RNA) where: Base-Base interactions energy: -1028.042 where: short stacking energy: -388.482 Base-Backbone interact. energy: -2.522 local terms energy: -372.547347 where: bonds (distance) C4'-P energy: -75.133 bonds (distance) P-C4' energy: -65.685 flat angles C4'-P-C4' energy: -76.692 flat angles P-C4'-P energy: -42.885 tors. eta vs tors. theta energy: -112.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1346.671729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.671729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.671729 (E_RNA) where: Base-Base interactions energy: -968.789 where: short stacking energy: -388.250 Base-Backbone interact. energy: -0.606 local terms energy: -377.276916 where: bonds (distance) C4'-P energy: -58.832 bonds (distance) P-C4' energy: -67.573 flat angles C4'-P-C4' energy: -80.559 flat angles P-C4'-P energy: -53.188 tors. eta vs tors. theta energy: -117.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1230.985523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.985523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.985523 (E_RNA) where: Base-Base interactions energy: -893.747 where: short stacking energy: -347.135 Base-Backbone interact. energy: -1.157 local terms energy: -336.081756 where: bonds (distance) C4'-P energy: -55.473 bonds (distance) P-C4' energy: -60.610 flat angles C4'-P-C4' energy: -75.334 flat angles P-C4'-P energy: -47.615 tors. eta vs tors. theta energy: -97.050 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: 2 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1213.091237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.091237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.091237 (E_RNA) where: Base-Base interactions energy: -868.832 where: short stacking energy: -356.341 Base-Backbone interact. energy: -1.368 local terms energy: -342.890588 where: bonds (distance) C4'-P energy: -58.727 bonds (distance) P-C4' energy: -68.095 flat angles C4'-P-C4' energy: -70.128 flat angles P-C4'-P energy: -46.765 tors. eta vs tors. theta energy: -99.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -1076.357728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.357728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.357728 (E_RNA) where: Base-Base interactions energy: -765.626 where: short stacking energy: -309.536 Base-Backbone interact. energy: -1.011 local terms energy: -309.720487 where: bonds (distance) C4'-P energy: -51.996 bonds (distance) P-C4' energy: -55.999 flat angles C4'-P-C4' energy: -74.027 flat angles P-C4'-P energy: -44.847 tors. eta vs tors. theta energy: -82.851 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: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1660.011633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.011633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.011633 (E_RNA) where: Base-Base interactions energy: -1199.463 where: short stacking energy: -468.781 Base-Backbone interact. energy: 0.052 local terms energy: -460.601364 where: bonds (distance) C4'-P energy: -81.245 bonds (distance) P-C4' energy: -82.310 flat angles C4'-P-C4' energy: -91.020 flat angles P-C4'-P energy: -66.171 tors. eta vs tors. theta energy: -139.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1594.741588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.741588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.741588 (E_RNA) where: Base-Base interactions energy: -1156.822 where: short stacking energy: -438.922 Base-Backbone interact. energy: 0.659 local terms energy: -438.578850 where: bonds (distance) C4'-P energy: -74.298 bonds (distance) P-C4' energy: -76.884 flat angles C4'-P-C4' energy: -91.823 flat angles P-C4'-P energy: -71.061 tors. eta vs tors. theta energy: -124.512 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: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1559.000089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.000089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.000089 (E_RNA) where: Base-Base interactions energy: -1133.262 where: short stacking energy: -451.778 Base-Backbone interact. energy: 0.655 local terms energy: -426.393321 where: bonds (distance) C4'-P energy: -69.751 bonds (distance) P-C4' energy: -80.007 flat angles C4'-P-C4' energy: -85.688 flat angles P-C4'-P energy: -59.478 tors. eta vs tors. theta energy: -131.470 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: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1467.479266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.479266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.479266 (E_RNA) where: Base-Base interactions energy: -1046.976 where: short stacking energy: -410.848 Base-Backbone interact. energy: -0.773 local terms energy: -419.730815 where: bonds (distance) C4'-P energy: -62.577 bonds (distance) P-C4' energy: -83.299 flat angles C4'-P-C4' energy: -89.449 flat angles P-C4'-P energy: -58.145 tors. eta vs tors. theta energy: -126.260 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: 1 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1422.500743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.500743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.500743 (E_RNA) where: Base-Base interactions energy: -1033.905 where: short stacking energy: -406.614 Base-Backbone interact. energy: -1.489 local terms energy: -387.106869 where: bonds (distance) C4'-P energy: -68.884 bonds (distance) P-C4' energy: -69.174 flat angles C4'-P-C4' energy: -90.489 flat angles P-C4'-P energy: -41.926 tors. eta vs tors. theta energy: -116.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1426.458366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.458366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.458366 (E_RNA) where: Base-Base interactions energy: -1044.144 where: short stacking energy: -396.669 Base-Backbone interact. energy: -2.002 local terms energy: -380.312274 where: bonds (distance) C4'-P energy: -73.227 bonds (distance) P-C4' energy: -62.647 flat angles C4'-P-C4' energy: -73.502 flat angles P-C4'-P energy: -50.212 tors. eta vs tors. theta energy: -120.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1342.360242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.360242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.360242 (E_RNA) where: Base-Base interactions energy: -977.449 where: short stacking energy: -378.137 Base-Backbone interact. energy: -1.112 local terms energy: -363.799821 where: bonds (distance) C4'-P energy: -62.082 bonds (distance) P-C4' energy: -71.299 flat angles C4'-P-C4' energy: -76.400 flat angles P-C4'-P energy: -52.755 tors. eta vs tors. theta energy: -101.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1247.196829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.196829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.196829 (E_RNA) where: Base-Base interactions energy: -900.661 where: short stacking energy: -359.760 Base-Backbone interact. energy: -0.255 local terms energy: -346.281338 where: bonds (distance) C4'-P energy: -40.412 bonds (distance) P-C4' energy: -66.922 flat angles C4'-P-C4' energy: -77.579 flat angles P-C4'-P energy: -54.580 tors. eta vs tors. theta energy: -106.788 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: 227 Temperature: 1.300000 Total energy: -1259.227985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.227985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.227985 (E_RNA) where: Base-Base interactions energy: -897.571 where: short stacking energy: -359.696 Base-Backbone interact. energy: -1.832 local terms energy: -359.824674 where: bonds (distance) C4'-P energy: -57.515 bonds (distance) P-C4' energy: -70.247 flat angles C4'-P-C4' energy: -78.539 flat angles P-C4'-P energy: -46.053 tors. eta vs tors. theta energy: -107.470 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: 8 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -1012.088533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.088533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.088533 (E_RNA) where: Base-Base interactions energy: -701.071 where: short stacking energy: -298.357 Base-Backbone interact. energy: -1.236 local terms energy: -309.781833 where: bonds (distance) C4'-P energy: -46.725 bonds (distance) P-C4' energy: -63.414 flat angles C4'-P-C4' energy: -70.463 flat angles P-C4'-P energy: -53.271 tors. eta vs tors. theta energy: -75.908 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: 5 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1677.480306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.480306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.480306 (E_RNA) where: Base-Base interactions energy: -1225.338 where: short stacking energy: -488.160 Base-Backbone interact. energy: -0.437 local terms energy: -451.705370 where: bonds (distance) C4'-P energy: -77.952 bonds (distance) P-C4' energy: -68.087 flat angles C4'-P-C4' energy: -97.056 flat angles P-C4'-P energy: -63.507 tors. eta vs tors. theta energy: -145.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1572.915083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.915083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.915083 (E_RNA) where: Base-Base interactions energy: -1149.830 where: short stacking energy: -435.012 Base-Backbone interact. energy: -0.535 local terms energy: -422.550375 where: bonds (distance) C4'-P energy: -74.297 bonds (distance) P-C4' energy: -78.904 flat angles C4'-P-C4' energy: -86.682 flat angles P-C4'-P energy: -56.591 tors. eta vs tors. theta energy: -126.076 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: 10 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1560.137206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.137206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.137206 (E_RNA) where: Base-Base interactions energy: -1122.107 where: short stacking energy: -449.259 Base-Backbone interact. energy: -0.501 local terms energy: -437.529529 where: bonds (distance) C4'-P energy: -78.079 bonds (distance) P-C4' energy: -70.628 flat angles C4'-P-C4' energy: -87.100 flat angles P-C4'-P energy: -60.003 tors. eta vs tors. theta energy: -141.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1430.472057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.472057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.472057 (E_RNA) where: Base-Base interactions energy: -1011.937 where: short stacking energy: -397.317 Base-Backbone interact. energy: -1.083 local terms energy: -417.452352 where: bonds (distance) C4'-P energy: -65.988 bonds (distance) P-C4' energy: -72.638 flat angles C4'-P-C4' energy: -92.102 flat angles P-C4'-P energy: -64.387 tors. eta vs tors. theta energy: -122.338 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: 1 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1459.155928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.155928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.155928 (E_RNA) where: Base-Base interactions energy: -1061.606 where: short stacking energy: -419.251 Base-Backbone interact. energy: -0.196 local terms energy: -397.353129 where: bonds (distance) C4'-P energy: -67.932 bonds (distance) P-C4' energy: -64.433 flat angles C4'-P-C4' energy: -85.017 flat angles P-C4'-P energy: -55.576 tors. eta vs tors. theta energy: -124.395 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: 6 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1409.367647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.367647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.367647 (E_RNA) where: Base-Base interactions energy: -1050.834 where: short stacking energy: -399.603 Base-Backbone interact. energy: -0.155 local terms energy: -358.378608 where: bonds (distance) C4'-P energy: -52.740 bonds (distance) P-C4' energy: -64.797 flat angles C4'-P-C4' energy: -73.369 flat angles P-C4'-P energy: -50.629 tors. eta vs tors. theta energy: -116.844 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: 3 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1343.551665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.551665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.551665 (E_RNA) where: Base-Base interactions energy: -977.667 where: short stacking energy: -379.403 Base-Backbone interact. energy: -0.247 local terms energy: -365.637186 where: bonds (distance) C4'-P energy: -60.362 bonds (distance) P-C4' energy: -62.048 flat angles C4'-P-C4' energy: -73.971 flat angles P-C4'-P energy: -54.453 tors. eta vs tors. theta energy: -114.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1229.140362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.140362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.140362 (E_RNA) where: Base-Base interactions energy: -889.171 where: short stacking energy: -345.481 Base-Backbone interact. energy: 0.559 local terms energy: -340.528817 where: bonds (distance) C4'-P energy: -50.055 bonds (distance) P-C4' energy: -63.444 flat angles C4'-P-C4' energy: -77.483 flat angles P-C4'-P energy: -47.264 tors. eta vs tors. theta energy: -102.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1229.333348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.333348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.333348 (E_RNA) where: Base-Base interactions energy: -876.160 where: short stacking energy: -330.056 Base-Backbone interact. energy: -1.277 local terms energy: -351.896002 where: bonds (distance) C4'-P energy: -63.767 bonds (distance) P-C4' energy: -68.977 flat angles C4'-P-C4' energy: -80.315 flat angles P-C4'-P energy: -45.447 tors. eta vs tors. theta energy: -93.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -1021.221211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.221211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.221211 (E_RNA) where: Base-Base interactions energy: -713.543 where: short stacking energy: -278.685 Base-Backbone interact. energy: 2.440 local terms energy: -310.118228 where: bonds (distance) C4'-P energy: -64.483 bonds (distance) P-C4' energy: -66.646 flat angles C4'-P-C4' energy: -66.474 flat angles P-C4'-P energy: -43.895 tors. eta vs tors. theta energy: -68.620 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: 5 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1695.658209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.658209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.658209 (E_RNA) where: Base-Base interactions energy: -1237.520 where: short stacking energy: -492.209 Base-Backbone interact. energy: -1.317 local terms energy: -456.821679 where: bonds (distance) C4'-P energy: -80.305 bonds (distance) P-C4' energy: -76.123 flat angles C4'-P-C4' energy: -91.360 flat angles P-C4'-P energy: -65.774 tors. eta vs tors. theta energy: -143.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1574.099760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.099760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.099760 (E_RNA) where: Base-Base interactions energy: -1157.878 where: short stacking energy: -430.129 Base-Backbone interact. energy: 0.742 local terms energy: -416.963756 where: bonds (distance) C4'-P energy: -70.923 bonds (distance) P-C4' energy: -77.177 flat angles C4'-P-C4' energy: -88.384 flat angles P-C4'-P energy: -56.821 tors. eta vs tors. theta energy: -123.659 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: 10 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1565.493156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.493156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.493156 (E_RNA) where: Base-Base interactions energy: -1138.462 where: short stacking energy: -439.004 Base-Backbone interact. energy: 0.367 local terms energy: -427.397677 where: bonds (distance) C4'-P energy: -78.372 bonds (distance) P-C4' energy: -56.651 flat angles C4'-P-C4' energy: -93.714 flat angles P-C4'-P energy: -67.519 tors. eta vs tors. theta energy: -131.142 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: 1 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1480.713102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.713102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.713102 (E_RNA) where: Base-Base interactions energy: -1066.657 where: short stacking energy: -392.285 Base-Backbone interact. energy: -1.848 local terms energy: -412.208468 where: bonds (distance) C4'-P energy: -72.347 bonds (distance) P-C4' energy: -72.510 flat angles C4'-P-C4' energy: -89.325 flat angles P-C4'-P energy: -62.934 tors. eta vs tors. theta energy: -115.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1411.309674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.309674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.309674 (E_RNA) where: Base-Base interactions energy: -1022.961 where: short stacking energy: -399.177 Base-Backbone interact. energy: 0.310 local terms energy: -388.658652 where: bonds (distance) C4'-P energy: -83.978 bonds (distance) P-C4' energy: -47.681 flat angles C4'-P-C4' energy: -83.298 flat angles P-C4'-P energy: -56.826 tors. eta vs tors. theta energy: -116.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1368.703046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.703046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.703046 (E_RNA) where: Base-Base interactions energy: -974.857 where: short stacking energy: -381.322 Base-Backbone interact. energy: 0.327 local terms energy: -394.172809 where: bonds (distance) C4'-P energy: -73.856 bonds (distance) P-C4' energy: -66.779 flat angles C4'-P-C4' energy: -82.453 flat angles P-C4'-P energy: -57.539 tors. eta vs tors. theta energy: -113.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1391.053609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.053609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.053609 (E_RNA) where: Base-Base interactions energy: -1030.791 where: short stacking energy: -387.616 Base-Backbone interact. energy: -1.477 local terms energy: -358.784955 where: bonds (distance) C4'-P energy: -56.256 bonds (distance) P-C4' energy: -60.603 flat angles C4'-P-C4' energy: -82.609 flat angles P-C4'-P energy: -48.019 tors. eta vs tors. theta energy: -111.298 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: 8, replica: 7 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1295.163746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.163746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.163746 (E_RNA) where: Base-Base interactions energy: -912.223 where: short stacking energy: -341.971 Base-Backbone interact. energy: 0.591 local terms energy: -383.532160 where: bonds (distance) C4'-P energy: -72.423 bonds (distance) P-C4' energy: -70.218 flat angles C4'-P-C4' energy: -84.030 flat angles P-C4'-P energy: -54.413 tors. eta vs tors. theta energy: -102.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1237.782491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.782491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.782491 (E_RNA) where: Base-Base interactions energy: -909.992 where: short stacking energy: -348.039 Base-Backbone interact. energy: 1.529 local terms energy: -329.319201 where: bonds (distance) C4'-P energy: -61.018 bonds (distance) P-C4' energy: -48.369 flat angles C4'-P-C4' energy: -65.053 flat angles P-C4'-P energy: -53.092 tors. eta vs tors. theta energy: -101.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -1034.802857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.802857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.802857 (E_RNA) where: Base-Base interactions energy: -738.514 where: short stacking energy: -295.740 Base-Backbone interact. energy: 0.223 local terms energy: -296.510978 where: bonds (distance) C4'-P energy: -56.660 bonds (distance) P-C4' energy: -61.226 flat angles C4'-P-C4' energy: -61.214 flat angles P-C4'-P energy: -41.334 tors. eta vs tors. theta energy: -76.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1706.080132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.080132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.080132 (E_RNA) where: Base-Base interactions energy: -1256.804 where: short stacking energy: -494.412 Base-Backbone interact. energy: -0.387 local terms energy: -448.889606 where: bonds (distance) C4'-P energy: -75.004 bonds (distance) P-C4' energy: -84.535 flat angles C4'-P-C4' energy: -90.598 flat angles P-C4'-P energy: -56.626 tors. eta vs tors. theta energy: -142.127 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: 2, replica: 9 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1580.197394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.197394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.197394 (E_RNA) where: Base-Base interactions energy: -1162.943 where: short stacking energy: -435.433 Base-Backbone interact. energy: 0.668 local terms energy: -417.922527 where: bonds (distance) C4'-P energy: -64.432 bonds (distance) P-C4' energy: -80.724 flat angles C4'-P-C4' energy: -87.508 flat angles P-C4'-P energy: -64.319 tors. eta vs tors. theta energy: -120.939 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: 10 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1543.871683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.871683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.871683 (E_RNA) where: Base-Base interactions energy: -1117.801 where: short stacking energy: -448.505 Base-Backbone interact. energy: -1.486 local terms energy: -424.584056 where: bonds (distance) C4'-P energy: -77.429 bonds (distance) P-C4' energy: -68.559 flat angles C4'-P-C4' energy: -86.417 flat angles P-C4'-P energy: -59.726 tors. eta vs tors. theta energy: -132.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1489.300627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.300627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.300627 (E_RNA) where: Base-Base interactions energy: -1065.968 where: short stacking energy: -409.286 Base-Backbone interact. energy: -1.771 local terms energy: -421.561136 where: bonds (distance) C4'-P energy: -76.353 bonds (distance) P-C4' energy: -65.732 flat angles C4'-P-C4' energy: -92.581 flat angles P-C4'-P energy: -60.048 tors. eta vs tors. theta energy: -126.848 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: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1417.142429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.142429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.142429 (E_RNA) where: Base-Base interactions energy: -1035.553 where: short stacking energy: -406.599 Base-Backbone interact. energy: -0.401 local terms energy: -381.188505 where: bonds (distance) C4'-P energy: -69.557 bonds (distance) P-C4' energy: -65.032 flat angles C4'-P-C4' energy: -86.938 flat angles P-C4'-P energy: -51.156 tors. eta vs tors. theta energy: -108.506 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: 6, replica: 3 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1382.575630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.575630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.575630 (E_RNA) where: Base-Base interactions energy: -974.281 where: short stacking energy: -388.398 Base-Backbone interact. energy: -1.371 local terms energy: -406.924347 where: bonds (distance) C4'-P energy: -74.662 bonds (distance) P-C4' energy: -67.783 flat angles C4'-P-C4' energy: -89.598 flat angles P-C4'-P energy: -60.987 tors. eta vs tors. theta energy: -113.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1373.677705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.677705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.677705 (E_RNA) where: Base-Base interactions energy: -997.177 where: short stacking energy: -376.629 Base-Backbone interact. energy: -1.274 local terms energy: -375.226758 where: bonds (distance) C4'-P energy: -60.127 bonds (distance) P-C4' energy: -62.188 flat angles C4'-P-C4' energy: -83.564 flat angles P-C4'-P energy: -60.386 tors. eta vs tors. theta energy: -108.963 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: 8, replica: 7 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1266.122440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.122440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.122440 (E_RNA) where: Base-Base interactions energy: -892.830 where: short stacking energy: -351.228 Base-Backbone interact. energy: 1.236 local terms energy: -374.528082 where: bonds (distance) C4'-P energy: -56.929 bonds (distance) P-C4' energy: -76.454 flat angles C4'-P-C4' energy: -80.010 flat angles P-C4'-P energy: -46.300 tors. eta vs tors. theta energy: -114.835 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: 2 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1240.607779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.607779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.607779 (E_RNA) where: Base-Base interactions energy: -892.389 where: short stacking energy: -339.573 Base-Backbone interact. energy: -0.943 local terms energy: -347.275762 where: bonds (distance) C4'-P energy: -63.817 bonds (distance) P-C4' energy: -63.769 flat angles C4'-P-C4' energy: -71.680 flat angles P-C4'-P energy: -44.969 tors. eta vs tors. theta energy: -103.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -1048.336901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.336901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.336901 (E_RNA) where: Base-Base interactions energy: -729.627 where: short stacking energy: -299.967 Base-Backbone interact. energy: -0.308 local terms energy: -318.401888 where: bonds (distance) C4'-P energy: -62.024 bonds (distance) P-C4' energy: -68.250 flat angles C4'-P-C4' energy: -68.817 flat angles P-C4'-P energy: -36.297 tors. eta vs tors. theta energy: -83.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1692.542561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.542561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.542561 (E_RNA) where: Base-Base interactions energy: -1218.387 where: short stacking energy: -488.641 Base-Backbone interact. energy: 0.738 local terms energy: -474.893283 where: bonds (distance) C4'-P energy: -82.443 bonds (distance) P-C4' energy: -81.390 flat angles C4'-P-C4' energy: -98.171 flat angles P-C4'-P energy: -65.691 tors. eta vs tors. theta energy: -147.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1602.226951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.226951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.226951 (E_RNA) where: Base-Base interactions energy: -1185.237 where: short stacking energy: -443.860 Base-Backbone interact. energy: -0.451 local terms energy: -416.539503 where: bonds (distance) C4'-P energy: -76.767 bonds (distance) P-C4' energy: -76.170 flat angles C4'-P-C4' energy: -87.719 flat angles P-C4'-P energy: -52.138 tors. eta vs tors. theta energy: -123.745 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: 10 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1553.659066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.659066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.659066 (E_RNA) where: Base-Base interactions energy: -1132.059 where: short stacking energy: -445.649 Base-Backbone interact. energy: -0.300 local terms energy: -421.299913 where: bonds (distance) C4'-P energy: -73.596 bonds (distance) P-C4' energy: -57.877 flat angles C4'-P-C4' energy: -85.400 flat angles P-C4'-P energy: -65.037 tors. eta vs tors. theta energy: -139.390 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: 4, replica: 1 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1458.995989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.995989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.995989 (E_RNA) where: Base-Base interactions energy: -1061.481 where: short stacking energy: -415.281 Base-Backbone interact. energy: -0.542 local terms energy: -396.973117 where: bonds (distance) C4'-P energy: -58.521 bonds (distance) P-C4' energy: -67.325 flat angles C4'-P-C4' energy: -87.282 flat angles P-C4'-P energy: -60.529 tors. eta vs tors. theta energy: -123.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1410.448173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.448173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.448173 (E_RNA) where: Base-Base interactions energy: -1017.285 where: short stacking energy: -376.938 Base-Backbone interact. energy: -1.783 local terms energy: -391.379491 where: bonds (distance) C4'-P energy: -65.208 bonds (distance) P-C4' energy: -70.555 flat angles C4'-P-C4' energy: -81.876 flat angles P-C4'-P energy: -61.750 tors. eta vs tors. theta energy: -111.991 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: 3 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1366.427823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.427823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.427823 (E_RNA) where: Base-Base interactions energy: -998.905 where: short stacking energy: -390.050 Base-Backbone interact. energy: -0.955 local terms energy: -366.567755 where: bonds (distance) C4'-P energy: -69.895 bonds (distance) P-C4' energy: -59.262 flat angles C4'-P-C4' energy: -80.201 flat angles P-C4'-P energy: -43.194 tors. eta vs tors. theta energy: -114.016 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: 6 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1373.114384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.114384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.114384 (E_RNA) where: Base-Base interactions energy: -1010.243 where: short stacking energy: -378.916 Base-Backbone interact. energy: -1.413 local terms energy: -361.458916 where: bonds (distance) C4'-P energy: -51.377 bonds (distance) P-C4' energy: -69.739 flat angles C4'-P-C4' energy: -79.974 flat angles P-C4'-P energy: -49.545 tors. eta vs tors. theta energy: -110.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1265.024358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.024358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.024358 (E_RNA) where: Base-Base interactions energy: -891.917 where: short stacking energy: -349.494 Base-Backbone interact. energy: -0.336 local terms energy: -372.771502 where: bonds (distance) C4'-P energy: -70.487 bonds (distance) P-C4' energy: -75.353 flat angles C4'-P-C4' energy: -77.935 flat angles P-C4'-P energy: -54.721 tors. eta vs tors. theta energy: -94.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1221.921482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.921482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.921482 (E_RNA) where: Base-Base interactions energy: -894.279 where: short stacking energy: -349.755 Base-Backbone interact. energy: -0.812 local terms energy: -326.830508 where: bonds (distance) C4'-P energy: -55.014 bonds (distance) P-C4' energy: -55.739 flat angles C4'-P-C4' energy: -74.254 flat angles P-C4'-P energy: -53.528 tors. eta vs tors. theta energy: -88.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -1053.084201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.084201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.084201 (E_RNA) where: Base-Base interactions energy: -747.726 where: short stacking energy: -307.798 Base-Backbone interact. energy: 0.236 local terms energy: -305.593602 where: bonds (distance) C4'-P energy: -51.035 bonds (distance) P-C4' energy: -60.735 flat angles C4'-P-C4' energy: -73.543 flat angles P-C4'-P energy: -46.590 tors. eta vs tors. theta energy: -73.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1682.807952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.807952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.807952 (E_RNA) where: Base-Base interactions energy: -1226.374 where: short stacking energy: -489.059 Base-Backbone interact. energy: 0.317 local terms energy: -456.751272 where: bonds (distance) C4'-P energy: -74.797 bonds (distance) P-C4' energy: -78.480 flat angles C4'-P-C4' energy: -88.944 flat angles P-C4'-P energy: -66.234 tors. eta vs tors. theta energy: -148.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1599.589152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.589152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.589152 (E_RNA) where: Base-Base interactions energy: -1198.177 where: short stacking energy: -454.786 Base-Backbone interact. energy: -0.734 local terms energy: -400.678025 where: bonds (distance) C4'-P energy: -64.367 bonds (distance) P-C4' energy: -66.757 flat angles C4'-P-C4' energy: -80.403 flat angles P-C4'-P energy: -63.866 tors. eta vs tors. theta energy: -125.285 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: 10 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1552.083566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.083566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.083566 (E_RNA) where: Base-Base interactions energy: -1116.472 where: short stacking energy: -447.968 Base-Backbone interact. energy: -0.425 local terms energy: -435.186406 where: bonds (distance) C4'-P energy: -67.724 bonds (distance) P-C4' energy: -69.750 flat angles C4'-P-C4' energy: -92.848 flat angles P-C4'-P energy: -68.424 tors. eta vs tors. theta energy: -136.440 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: 1 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1469.429630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.429630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.429630 (E_RNA) where: Base-Base interactions energy: -1073.810 where: short stacking energy: -409.299 Base-Backbone interact. energy: 1.304 local terms energy: -396.923546 where: bonds (distance) C4'-P energy: -61.425 bonds (distance) P-C4' energy: -72.923 flat angles C4'-P-C4' energy: -84.368 flat angles P-C4'-P energy: -60.371 tors. eta vs tors. theta energy: -117.836 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: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1453.297914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.297914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.297914 (E_RNA) where: Base-Base interactions energy: -1064.816 where: short stacking energy: -416.646 Base-Backbone interact. energy: -1.295 local terms energy: -387.187709 where: bonds (distance) C4'-P energy: -65.794 bonds (distance) P-C4' energy: -68.993 flat angles C4'-P-C4' energy: -86.019 flat angles P-C4'-P energy: -49.033 tors. eta vs tors. theta energy: -117.348 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: 3 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1348.064131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.064131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.064131 (E_RNA) where: Base-Base interactions energy: -967.682 where: short stacking energy: -398.120 Base-Backbone interact. energy: 1.771 local terms energy: -382.153199 where: bonds (distance) C4'-P energy: -67.762 bonds (distance) P-C4' energy: -58.332 flat angles C4'-P-C4' energy: -82.993 flat angles P-C4'-P energy: -54.269 tors. eta vs tors. theta energy: -118.796 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: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1371.220043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.220043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.220043 (E_RNA) where: Base-Base interactions energy: -993.711 where: short stacking energy: -380.915 Base-Backbone interact. energy: -1.179 local terms energy: -376.329943 where: bonds (distance) C4'-P energy: -68.059 bonds (distance) P-C4' energy: -67.289 flat angles C4'-P-C4' energy: -77.570 flat angles P-C4'-P energy: -48.217 tors. eta vs tors. theta energy: -115.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1265.209969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.209969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.209969 (E_RNA) where: Base-Base interactions energy: -898.171 where: short stacking energy: -348.667 Base-Backbone interact. energy: -0.557 local terms energy: -366.482546 where: bonds (distance) C4'-P energy: -68.298 bonds (distance) P-C4' energy: -63.823 flat angles C4'-P-C4' energy: -84.384 flat angles P-C4'-P energy: -56.732 tors. eta vs tors. theta energy: -93.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1226.453285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.453285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.453285 (E_RNA) where: Base-Base interactions energy: -894.230 where: short stacking energy: -342.823 Base-Backbone interact. energy: -0.755 local terms energy: -331.468474 where: bonds (distance) C4'-P energy: -60.891 bonds (distance) P-C4' energy: -47.867 flat angles C4'-P-C4' energy: -77.617 flat angles P-C4'-P energy: -46.848 tors. eta vs tors. theta energy: -98.246 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: 8 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -1050.328005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.328005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.328005 (E_RNA) where: Base-Base interactions energy: -756.086 where: short stacking energy: -297.008 Base-Backbone interact. energy: -2.289 local terms energy: -291.952990 where: bonds (distance) C4'-P energy: -58.758 bonds (distance) P-C4' energy: -65.406 flat angles C4'-P-C4' energy: -65.203 flat angles P-C4'-P energy: -29.722 tors. eta vs tors. theta energy: -72.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1688.592723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.592723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.592723 (E_RNA) where: Base-Base interactions energy: -1253.472 where: short stacking energy: -487.404 Base-Backbone interact. energy: 0.517 local terms energy: -435.638392 where: bonds (distance) C4'-P energy: -65.178 bonds (distance) P-C4' energy: -67.412 flat angles C4'-P-C4' energy: -91.564 flat angles P-C4'-P energy: -65.960 tors. eta vs tors. theta energy: -145.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1581.037802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.037802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.037802 (E_RNA) where: Base-Base interactions energy: -1155.153 where: short stacking energy: -433.230 Base-Backbone interact. energy: -1.571 local terms energy: -424.314056 where: bonds (distance) C4'-P energy: -78.600 bonds (distance) P-C4' energy: -76.969 flat angles C4'-P-C4' energy: -88.126 flat angles P-C4'-P energy: -52.621 tors. eta vs tors. theta energy: -127.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1538.057455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.057455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.057455 (E_RNA) where: Base-Base interactions energy: -1100.524 where: short stacking energy: -449.089 Base-Backbone interact. energy: -1.166 local terms energy: -436.367564 where: bonds (distance) C4'-P energy: -78.659 bonds (distance) P-C4' energy: -74.919 flat angles C4'-P-C4' energy: -88.973 flat angles P-C4'-P energy: -64.901 tors. eta vs tors. theta energy: -128.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1464.486384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.486384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.486384 (E_RNA) where: Base-Base interactions energy: -1069.397 where: short stacking energy: -420.600 Base-Backbone interact. energy: -0.141 local terms energy: -394.948038 where: bonds (distance) C4'-P energy: -61.348 bonds (distance) P-C4' energy: -73.736 flat angles C4'-P-C4' energy: -90.625 flat angles P-C4'-P energy: -47.699 tors. eta vs tors. theta energy: -121.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1441.134833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.134833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.134833 (E_RNA) where: Base-Base interactions energy: -1037.368 where: short stacking energy: -413.956 Base-Backbone interact. energy: 3.240 local terms energy: -407.006494 where: bonds (distance) C4'-P energy: -70.928 bonds (distance) P-C4' energy: -73.379 flat angles C4'-P-C4' energy: -83.608 flat angles P-C4'-P energy: -58.972 tors. eta vs tors. theta energy: -120.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1371.074854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.074854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.074854 (E_RNA) where: Base-Base interactions energy: -1006.187 where: short stacking energy: -379.558 Base-Backbone interact. energy: -0.406 local terms energy: -364.481694 where: bonds (distance) C4'-P energy: -62.800 bonds (distance) P-C4' energy: -63.970 flat angles C4'-P-C4' energy: -80.123 flat angles P-C4'-P energy: -52.433 tors. eta vs tors. theta energy: -105.156 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: 7, replica: 3 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1358.143984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.143984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.143984 (E_RNA) where: Base-Base interactions energy: -970.988 where: short stacking energy: -373.006 Base-Backbone interact. energy: 2.504 local terms energy: -389.659378 where: bonds (distance) C4'-P energy: -64.476 bonds (distance) P-C4' energy: -71.872 flat angles C4'-P-C4' energy: -77.464 flat angles P-C4'-P energy: -61.175 tors. eta vs tors. theta energy: -114.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1282.127918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.127918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.127918 (E_RNA) where: Base-Base interactions energy: -936.061 where: short stacking energy: -360.746 Base-Backbone interact. energy: 0.399 local terms energy: -346.465773 where: bonds (distance) C4'-P energy: -70.206 bonds (distance) P-C4' energy: -68.003 flat angles C4'-P-C4' energy: -74.795 flat angles P-C4'-P energy: -34.831 tors. eta vs tors. theta energy: -98.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1212.737639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.737639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.737639 (E_RNA) where: Base-Base interactions energy: -867.297 where: short stacking energy: -348.023 Base-Backbone interact. energy: -0.980 local terms energy: -344.460389 where: bonds (distance) C4'-P energy: -59.602 bonds (distance) P-C4' energy: -67.571 flat angles C4'-P-C4' energy: -79.443 flat angles P-C4'-P energy: -41.663 tors. eta vs tors. theta energy: -96.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -1039.509327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.509327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.509327 (E_RNA) where: Base-Base interactions energy: -759.609 where: short stacking energy: -288.611 Base-Backbone interact. energy: -1.202 local terms energy: -278.698997 where: bonds (distance) C4'-P energy: -52.716 bonds (distance) P-C4' energy: -41.318 flat angles C4'-P-C4' energy: -73.587 flat angles P-C4'-P energy: -37.871 tors. eta vs tors. theta energy: -73.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1681.870385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.870385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.870385 (E_RNA) where: Base-Base interactions energy: -1225.177 where: short stacking energy: -478.607 Base-Backbone interact. energy: 0.209 local terms energy: -456.902473 where: bonds (distance) C4'-P energy: -80.248 bonds (distance) P-C4' energy: -70.137 flat angles C4'-P-C4' energy: -94.380 flat angles P-C4'-P energy: -69.295 tors. eta vs tors. theta energy: -142.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1572.671527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.671527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.671527 (E_RNA) where: Base-Base interactions energy: -1158.266 where: short stacking energy: -438.282 Base-Backbone interact. energy: -0.915 local terms energy: -413.490686 where: bonds (distance) C4'-P energy: -67.253 bonds (distance) P-C4' energy: -73.612 flat angles C4'-P-C4' energy: -91.504 flat angles P-C4'-P energy: -61.107 tors. eta vs tors. theta energy: -120.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1559.560408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.560408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.560408 (E_RNA) where: Base-Base interactions energy: -1148.556 where: short stacking energy: -451.493 Base-Backbone interact. energy: -0.049 local terms energy: -410.954739 where: bonds (distance) C4'-P energy: -73.836 bonds (distance) P-C4' energy: -60.537 flat angles C4'-P-C4' energy: -88.410 flat angles P-C4'-P energy: -58.295 tors. eta vs tors. theta energy: -129.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1479.861516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.861516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.861516 (E_RNA) where: Base-Base interactions energy: -1092.473 where: short stacking energy: -424.855 Base-Backbone interact. energy: 1.478 local terms energy: -388.867082 where: bonds (distance) C4'-P energy: -57.997 bonds (distance) P-C4' energy: -78.744 flat angles C4'-P-C4' energy: -83.822 flat angles P-C4'-P energy: -46.817 tors. eta vs tors. theta energy: -121.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1434.263829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.263829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.263829 (E_RNA) where: Base-Base interactions energy: -1021.761 where: short stacking energy: -393.089 Base-Backbone interact. energy: 0.633 local terms energy: -413.135203 where: bonds (distance) C4'-P energy: -66.278 bonds (distance) P-C4' energy: -73.466 flat angles C4'-P-C4' energy: -87.743 flat angles P-C4'-P energy: -65.252 tors. eta vs tors. theta energy: -120.396 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: 6 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1394.869777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.869777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.869777 (E_RNA) where: Base-Base interactions energy: -1023.574 where: short stacking energy: -387.204 Base-Backbone interact. energy: -0.741 local terms energy: -370.555442 where: bonds (distance) C4'-P energy: -65.503 bonds (distance) P-C4' energy: -72.987 flat angles C4'-P-C4' energy: -69.584 flat angles P-C4'-P energy: -53.305 tors. eta vs tors. theta energy: -109.178 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: 7, replica: 3 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1363.826070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.826070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.826070 (E_RNA) where: Base-Base interactions energy: -979.393 where: short stacking energy: -401.809 Base-Backbone interact. energy: -1.326 local terms energy: -383.106479 where: bonds (distance) C4'-P energy: -54.970 bonds (distance) P-C4' energy: -70.582 flat angles C4'-P-C4' energy: -83.651 flat angles P-C4'-P energy: -57.890 tors. eta vs tors. theta energy: -116.013 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: 234 Temperature: 1.250000 Total energy: -1275.182857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.182857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.182857 (E_RNA) where: Base-Base interactions energy: -926.238 where: short stacking energy: -356.532 Base-Backbone interact. energy: -2.519 local terms energy: -346.425327 where: bonds (distance) C4'-P energy: -65.588 bonds (distance) P-C4' energy: -55.839 flat angles C4'-P-C4' energy: -67.236 flat angles P-C4'-P energy: -45.021 tors. eta vs tors. theta energy: -112.741 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: 2 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1178.438673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.438673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.438673 (E_RNA) where: Base-Base interactions energy: -843.980 where: short stacking energy: -328.965 Base-Backbone interact. energy: 0.612 local terms energy: -335.070328 where: bonds (distance) C4'-P energy: -71.556 bonds (distance) P-C4' energy: -59.712 flat angles C4'-P-C4' energy: -70.443 flat angles P-C4'-P energy: -42.826 tors. eta vs tors. theta energy: -90.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -1030.698024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.698024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.698024 (E_RNA) where: Base-Base interactions energy: -744.578 where: short stacking energy: -306.466 Base-Backbone interact. energy: -0.990 local terms energy: -285.130255 where: bonds (distance) C4'-P energy: -54.924 bonds (distance) P-C4' energy: -41.410 flat angles C4'-P-C4' energy: -73.413 flat angles P-C4'-P energy: -35.752 tors. eta vs tors. theta energy: -79.631 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: 5 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1692.970652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.970652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.970652 (E_RNA) where: Base-Base interactions energy: -1227.456 where: short stacking energy: -480.953 Base-Backbone interact. energy: 0.753 local terms energy: -466.267852 where: bonds (distance) C4'-P energy: -73.321 bonds (distance) P-C4' energy: -85.435 flat angles C4'-P-C4' energy: -99.600 flat angles P-C4'-P energy: -61.479 tors. eta vs tors. theta energy: -146.433 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: 9 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1582.505591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.505591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.505591 (E_RNA) where: Base-Base interactions energy: -1153.053 where: short stacking energy: -431.136 Base-Backbone interact. energy: -0.564 local terms energy: -428.889348 where: bonds (distance) C4'-P energy: -78.383 bonds (distance) P-C4' energy: -81.541 flat angles C4'-P-C4' energy: -84.870 flat angles P-C4'-P energy: -60.152 tors. eta vs tors. theta energy: -123.944 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: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1543.358234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.358234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.358234 (E_RNA) where: Base-Base interactions energy: -1119.105 where: short stacking energy: -434.539 Base-Backbone interact. energy: -0.473 local terms energy: -423.779994 where: bonds (distance) C4'-P energy: -55.442 bonds (distance) P-C4' energy: -71.044 flat angles C4'-P-C4' energy: -99.300 flat angles P-C4'-P energy: -64.517 tors. eta vs tors. theta energy: -133.478 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: 1 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1461.018021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.018021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.018021 (E_RNA) where: Base-Base interactions energy: -1065.932 where: short stacking energy: -425.986 Base-Backbone interact. energy: -0.538 local terms energy: -394.548060 where: bonds (distance) C4'-P energy: -73.555 bonds (distance) P-C4' energy: -65.206 flat angles C4'-P-C4' energy: -83.543 flat angles P-C4'-P energy: -48.644 tors. eta vs tors. theta energy: -123.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1457.852071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.852071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.852071 (E_RNA) where: Base-Base interactions energy: -1053.871 where: short stacking energy: -410.593 Base-Backbone interact. energy: -0.032 local terms energy: -403.949141 where: bonds (distance) C4'-P energy: -74.313 bonds (distance) P-C4' energy: -66.110 flat angles C4'-P-C4' energy: -86.093 flat angles P-C4'-P energy: -47.873 tors. eta vs tors. theta energy: -129.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1372.337427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.337427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.337427 (E_RNA) where: Base-Base interactions energy: -995.509 where: short stacking energy: -379.575 Base-Backbone interact. energy: -0.820 local terms energy: -376.008717 where: bonds (distance) C4'-P energy: -59.373 bonds (distance) P-C4' energy: -70.287 flat angles C4'-P-C4' energy: -78.030 flat angles P-C4'-P energy: -62.018 tors. eta vs tors. theta energy: -106.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1341.170987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.170987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.170987 (E_RNA) where: Base-Base interactions energy: -971.197 where: short stacking energy: -398.520 Base-Backbone interact. energy: -0.132 local terms energy: -369.842307 where: bonds (distance) C4'-P energy: -66.115 bonds (distance) P-C4' energy: -64.547 flat angles C4'-P-C4' energy: -76.943 flat angles P-C4'-P energy: -47.825 tors. eta vs tors. theta energy: -114.413 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: 235 Temperature: 1.250000 Total energy: -1268.801241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.801241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.801241 (E_RNA) where: Base-Base interactions energy: -923.577 where: short stacking energy: -347.366 Base-Backbone interact. energy: -0.328 local terms energy: -344.895952 where: bonds (distance) C4'-P energy: -54.618 bonds (distance) P-C4' energy: -59.729 flat angles C4'-P-C4' energy: -82.943 flat angles P-C4'-P energy: -46.286 tors. eta vs tors. theta energy: -101.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1189.424270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.424270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.424270 (E_RNA) where: Base-Base interactions energy: -879.506 where: short stacking energy: -341.289 Base-Backbone interact. energy: -1.644 local terms energy: -308.273823 where: bonds (distance) C4'-P energy: -51.751 bonds (distance) P-C4' energy: -60.936 flat angles C4'-P-C4' energy: -55.493 flat angles P-C4'-P energy: -56.121 tors. eta vs tors. theta energy: -83.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -1064.188420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.188420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.188420 (E_RNA) where: Base-Base interactions energy: -749.907 where: short stacking energy: -292.274 Base-Backbone interact. energy: -1.125 local terms energy: -313.156551 where: bonds (distance) C4'-P energy: -57.781 bonds (distance) P-C4' energy: -64.475 flat angles C4'-P-C4' energy: -71.716 flat angles P-C4'-P energy: -37.531 tors. eta vs tors. theta energy: -81.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1698.384248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.384248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.384248 (E_RNA) where: Base-Base interactions energy: -1245.794 where: short stacking energy: -485.172 Base-Backbone interact. energy: 1.007 local terms energy: -453.597519 where: bonds (distance) C4'-P energy: -70.047 bonds (distance) P-C4' energy: -78.620 flat angles C4'-P-C4' energy: -96.512 flat angles P-C4'-P energy: -65.927 tors. eta vs tors. theta energy: -142.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1581.230016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.230016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.230016 (E_RNA) where: Base-Base interactions energy: -1163.611 where: short stacking energy: -441.265 Base-Backbone interact. energy: -2.223 local terms energy: -415.396334 where: bonds (distance) C4'-P energy: -75.536 bonds (distance) P-C4' energy: -70.863 flat angles C4'-P-C4' energy: -83.796 flat angles P-C4'-P energy: -59.970 tors. eta vs tors. theta energy: -125.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1559.097081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.097081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.097081 (E_RNA) where: Base-Base interactions energy: -1124.752 where: short stacking energy: -445.165 Base-Backbone interact. energy: 1.552 local terms energy: -435.897153 where: bonds (distance) C4'-P energy: -70.822 bonds (distance) P-C4' energy: -79.909 flat angles C4'-P-C4' energy: -85.267 flat angles P-C4'-P energy: -62.249 tors. eta vs tors. theta energy: -137.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1469.894384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.894384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.894384 (E_RNA) where: Base-Base interactions energy: -1071.891 where: short stacking energy: -430.175 Base-Backbone interact. energy: 0.104 local terms energy: -398.107051 where: bonds (distance) C4'-P energy: -65.185 bonds (distance) P-C4' energy: -67.245 flat angles C4'-P-C4' energy: -81.887 flat angles P-C4'-P energy: -61.918 tors. eta vs tors. theta energy: -121.872 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: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1419.851928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.851928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.851928 (E_RNA) where: Base-Base interactions energy: -1016.494 where: short stacking energy: -387.402 Base-Backbone interact. energy: -0.632 local terms energy: -402.726269 where: bonds (distance) C4'-P energy: -81.033 bonds (distance) P-C4' energy: -66.340 flat angles C4'-P-C4' energy: -86.144 flat angles P-C4'-P energy: -57.391 tors. eta vs tors. theta energy: -111.817 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: 6, replica: 4 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1426.009161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.009161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.009161 (E_RNA) where: Base-Base interactions energy: -1015.425 where: short stacking energy: -394.431 Base-Backbone interact. energy: -0.096 local terms energy: -410.488026 where: bonds (distance) C4'-P energy: -71.809 bonds (distance) P-C4' energy: -72.611 flat angles C4'-P-C4' energy: -84.475 flat angles P-C4'-P energy: -60.401 tors. eta vs tors. theta energy: -121.191 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: 236 Temperature: 1.200000 Total energy: -1345.131021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.131021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.131021 (E_RNA) where: Base-Base interactions energy: -960.369 where: short stacking energy: -384.365 Base-Backbone interact. energy: -3.000 local terms energy: -381.761961 where: bonds (distance) C4'-P energy: -61.009 bonds (distance) P-C4' energy: -75.424 flat angles C4'-P-C4' energy: -78.124 flat angles P-C4'-P energy: -57.494 tors. eta vs tors. theta energy: -109.711 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: 7 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1286.730227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.730227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.730227 (E_RNA) where: Base-Base interactions energy: -935.459 where: short stacking energy: -358.971 Base-Backbone interact. energy: -0.096 local terms energy: -351.174972 where: bonds (distance) C4'-P energy: -68.883 bonds (distance) P-C4' energy: -67.711 flat angles C4'-P-C4' energy: -70.675 flat angles P-C4'-P energy: -42.017 tors. eta vs tors. theta energy: -101.889 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: 2 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1200.285937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.285937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.285937 (E_RNA) where: Base-Base interactions energy: -873.980 where: short stacking energy: -352.688 Base-Backbone interact. energy: -0.779 local terms energy: -325.527426 where: bonds (distance) C4'-P energy: -51.332 bonds (distance) P-C4' energy: -69.813 flat angles C4'-P-C4' energy: -73.093 flat angles P-C4'-P energy: -43.185 tors. eta vs tors. theta energy: -88.105 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: 8 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -1130.287627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.287627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.287627 (E_RNA) where: Base-Base interactions energy: -800.899 where: short stacking energy: -310.214 Base-Backbone interact. energy: -1.611 local terms energy: -327.777974 where: bonds (distance) C4'-P energy: -60.967 bonds (distance) P-C4' energy: -59.136 flat angles C4'-P-C4' energy: -72.899 flat angles P-C4'-P energy: -52.599 tors. eta vs tors. theta energy: -82.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1695.560047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.560047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.560047 (E_RNA) where: Base-Base interactions energy: -1241.856 where: short stacking energy: -479.852 Base-Backbone interact. energy: -0.307 local terms energy: -453.397029 where: bonds (distance) C4'-P energy: -72.071 bonds (distance) P-C4' energy: -81.013 flat angles C4'-P-C4' energy: -94.234 flat angles P-C4'-P energy: -62.628 tors. eta vs tors. theta energy: -143.451 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: 9 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1567.428519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.428519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.428519 (E_RNA) where: Base-Base interactions energy: -1140.337 where: short stacking energy: -443.440 Base-Backbone interact. energy: -1.229 local terms energy: -425.863082 where: bonds (distance) C4'-P energy: -77.132 bonds (distance) P-C4' energy: -75.764 flat angles C4'-P-C4' energy: -88.072 flat angles P-C4'-P energy: -58.977 tors. eta vs tors. theta energy: -125.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1554.182961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.182961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.182961 (E_RNA) where: Base-Base interactions energy: -1125.755 where: short stacking energy: -449.276 Base-Backbone interact. energy: -0.309 local terms energy: -428.119519 where: bonds (distance) C4'-P energy: -71.131 bonds (distance) P-C4' energy: -70.092 flat angles C4'-P-C4' energy: -88.749 flat angles P-C4'-P energy: -61.446 tors. eta vs tors. theta energy: -136.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1455.050107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.050107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.050107 (E_RNA) where: Base-Base interactions energy: -1062.793 where: short stacking energy: -421.892 Base-Backbone interact. energy: -0.853 local terms energy: -391.403814 where: bonds (distance) C4'-P energy: -62.470 bonds (distance) P-C4' energy: -64.115 flat angles C4'-P-C4' energy: -85.810 flat angles P-C4'-P energy: -57.479 tors. eta vs tors. theta energy: -121.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1405.231479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.231479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.231479 (E_RNA) where: Base-Base interactions energy: -1033.820 where: short stacking energy: -396.991 Base-Backbone interact. energy: 1.355 local terms energy: -372.766252 where: bonds (distance) C4'-P energy: -60.555 bonds (distance) P-C4' energy: -66.734 flat angles C4'-P-C4' energy: -77.108 flat angles P-C4'-P energy: -59.009 tors. eta vs tors. theta energy: -109.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1414.667450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.667450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.667450 (E_RNA) where: Base-Base interactions energy: -1022.616 where: short stacking energy: -407.407 Base-Backbone interact. energy: -0.403 local terms energy: -391.648366 where: bonds (distance) C4'-P energy: -65.025 bonds (distance) P-C4' energy: -73.592 flat angles C4'-P-C4' energy: -78.767 flat angles P-C4'-P energy: -58.572 tors. eta vs tors. theta energy: -115.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1348.756292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.756292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.756292 (E_RNA) where: Base-Base interactions energy: -977.318 where: short stacking energy: -386.867 Base-Backbone interact. energy: -1.252 local terms energy: -370.186030 where: bonds (distance) C4'-P energy: -60.946 bonds (distance) P-C4' energy: -65.420 flat angles C4'-P-C4' energy: -74.152 flat angles P-C4'-P energy: -56.399 tors. eta vs tors. theta energy: -113.269 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: -1278.194293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.194293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.194293 (E_RNA) where: Base-Base interactions energy: -927.404 where: short stacking energy: -364.085 Base-Backbone interact. energy: -0.764 local terms energy: -350.026666 where: bonds (distance) C4'-P energy: -62.314 bonds (distance) P-C4' energy: -57.499 flat angles C4'-P-C4' energy: -74.659 flat angles P-C4'-P energy: -48.576 tors. eta vs tors. theta energy: -106.978 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: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1188.008956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.008956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.008956 (E_RNA) where: Base-Base interactions energy: -831.202 where: short stacking energy: -337.053 Base-Backbone interact. energy: 0.268 local terms energy: -357.074319 where: bonds (distance) C4'-P energy: -59.715 bonds (distance) P-C4' energy: -71.210 flat angles C4'-P-C4' energy: -74.071 flat angles P-C4'-P energy: -54.334 tors. eta vs tors. theta energy: -97.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -1138.973397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.973397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.973397 (E_RNA) where: Base-Base interactions energy: -825.269 where: short stacking energy: -320.347 Base-Backbone interact. energy: 1.211 local terms energy: -314.915758 where: bonds (distance) C4'-P energy: -55.120 bonds (distance) P-C4' energy: -52.194 flat angles C4'-P-C4' energy: -63.902 flat angles P-C4'-P energy: -49.685 tors. eta vs tors. theta energy: -94.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1715.618186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.618186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.618186 (E_RNA) where: Base-Base interactions energy: -1253.578 where: short stacking energy: -492.732 Base-Backbone interact. energy: -0.037 local terms energy: -462.002411 where: bonds (distance) C4'-P energy: -80.681 bonds (distance) P-C4' energy: -81.513 flat angles C4'-P-C4' energy: -88.453 flat angles P-C4'-P energy: -63.338 tors. eta vs tors. theta energy: -148.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1566.588750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.588750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.588750 (E_RNA) where: Base-Base interactions energy: -1153.815 where: short stacking energy: -436.781 Base-Backbone interact. energy: -1.528 local terms energy: -411.246107 where: bonds (distance) C4'-P energy: -71.809 bonds (distance) P-C4' energy: -75.392 flat angles C4'-P-C4' energy: -88.947 flat angles P-C4'-P energy: -53.321 tors. eta vs tors. theta energy: -121.778 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: 238 Temperature: 1.000000 Total energy: -1540.546004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.546004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.546004 (E_RNA) where: Base-Base interactions energy: -1125.040 where: short stacking energy: -442.116 Base-Backbone interact. energy: -0.648 local terms energy: -414.858178 where: bonds (distance) C4'-P energy: -71.517 bonds (distance) P-C4' energy: -68.497 flat angles C4'-P-C4' energy: -91.739 flat angles P-C4'-P energy: -57.693 tors. eta vs tors. theta energy: -125.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1477.687585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.687585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.687585 (E_RNA) where: Base-Base interactions energy: -1062.160 where: short stacking energy: -411.887 Base-Backbone interact. energy: -2.687 local terms energy: -412.840933 where: bonds (distance) C4'-P energy: -83.615 bonds (distance) P-C4' energy: -64.078 flat angles C4'-P-C4' energy: -88.385 flat angles P-C4'-P energy: -56.125 tors. eta vs tors. theta energy: -120.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1439.035732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.035732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.035732 (E_RNA) where: Base-Base interactions energy: -1051.068 where: short stacking energy: -407.204 Base-Backbone interact. energy: 0.084 local terms energy: -388.051929 where: bonds (distance) C4'-P energy: -61.252 bonds (distance) P-C4' energy: -71.778 flat angles C4'-P-C4' energy: -83.005 flat angles P-C4'-P energy: -62.383 tors. eta vs tors. theta energy: -109.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1416.070574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.070574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.070574 (E_RNA) where: Base-Base interactions energy: -1037.992 where: short stacking energy: -383.952 Base-Backbone interact. energy: -0.221 local terms energy: -377.857665 where: bonds (distance) C4'-P energy: -59.321 bonds (distance) P-C4' energy: -64.809 flat angles C4'-P-C4' energy: -85.536 flat angles P-C4'-P energy: -56.489 tors. eta vs tors. theta energy: -111.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1360.316348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.316348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.316348 (E_RNA) where: Base-Base interactions energy: -976.847 where: short stacking energy: -390.378 Base-Backbone interact. energy: 0.507 local terms energy: -383.977171 where: bonds (distance) C4'-P energy: -75.647 bonds (distance) P-C4' energy: -65.575 flat angles C4'-P-C4' energy: -76.720 flat angles P-C4'-P energy: -56.597 tors. eta vs tors. theta energy: -109.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1250.437941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.437941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.437941 (E_RNA) where: Base-Base interactions energy: -898.071 where: short stacking energy: -356.053 Base-Backbone interact. energy: 1.847 local terms energy: -354.214147 where: bonds (distance) C4'-P energy: -60.674 bonds (distance) P-C4' energy: -62.778 flat angles C4'-P-C4' energy: -71.612 flat angles P-C4'-P energy: -57.375 tors. eta vs tors. theta energy: -101.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1220.567801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.567801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.567801 (E_RNA) where: Base-Base interactions energy: -883.880 where: short stacking energy: -358.463 Base-Backbone interact. energy: -0.890 local terms energy: -335.798222 where: bonds (distance) C4'-P energy: -62.529 bonds (distance) P-C4' energy: -70.064 flat angles C4'-P-C4' energy: -68.633 flat angles P-C4'-P energy: -43.525 tors. eta vs tors. theta energy: -91.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -1148.497252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.497252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.497252 (E_RNA) where: Base-Base interactions energy: -822.108 where: short stacking energy: -333.400 Base-Backbone interact. energy: 1.617 local terms energy: -328.006108 where: bonds (distance) C4'-P energy: -58.926 bonds (distance) P-C4' energy: -68.399 flat angles C4'-P-C4' energy: -67.595 flat angles P-C4'-P energy: -49.765 tors. eta vs tors. theta energy: -83.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1692.084249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.084249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.084249 (E_RNA) where: Base-Base interactions energy: -1227.491 where: short stacking energy: -480.442 Base-Backbone interact. energy: -0.636 local terms energy: -463.957243 where: bonds (distance) C4'-P energy: -77.146 bonds (distance) P-C4' energy: -79.681 flat angles C4'-P-C4' energy: -91.228 flat angles P-C4'-P energy: -66.284 tors. eta vs tors. theta energy: -149.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1569.842123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.842123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.842123 (E_RNA) where: Base-Base interactions energy: -1141.261 where: short stacking energy: -427.460 Base-Backbone interact. energy: -0.695 local terms energy: -427.885612 where: bonds (distance) C4'-P energy: -71.990 bonds (distance) P-C4' energy: -77.505 flat angles C4'-P-C4' energy: -90.525 flat angles P-C4'-P energy: -60.846 tors. eta vs tors. theta energy: -127.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1544.502466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.502466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.502466 (E_RNA) where: Base-Base interactions energy: -1131.133 where: short stacking energy: -448.325 Base-Backbone interact. energy: -0.149 local terms energy: -413.220713 where: bonds (distance) C4'-P energy: -71.745 bonds (distance) P-C4' energy: -56.816 flat angles C4'-P-C4' energy: -97.308 flat angles P-C4'-P energy: -56.864 tors. eta vs tors. theta energy: -130.488 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: 1 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1464.986850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.986850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.986850 (E_RNA) where: Base-Base interactions energy: -1044.229 where: short stacking energy: -400.884 Base-Backbone interact. energy: -1.396 local terms energy: -419.361793 where: bonds (distance) C4'-P energy: -67.495 bonds (distance) P-C4' energy: -75.681 flat angles C4'-P-C4' energy: -90.666 flat angles P-C4'-P energy: -60.535 tors. eta vs tors. theta energy: -124.986 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: 6 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1438.075059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.075059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.075059 (E_RNA) where: Base-Base interactions energy: -1043.004 where: short stacking energy: -381.928 Base-Backbone interact. energy: -1.410 local terms energy: -393.660163 where: bonds (distance) C4'-P energy: -69.246 bonds (distance) P-C4' energy: -71.775 flat angles C4'-P-C4' energy: -87.851 flat angles P-C4'-P energy: -55.570 tors. eta vs tors. theta energy: -109.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1402.439108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.439108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.439108 (E_RNA) where: Base-Base interactions energy: -1012.505 where: short stacking energy: -385.323 Base-Backbone interact. energy: -0.145 local terms energy: -389.789347 where: bonds (distance) C4'-P energy: -70.156 bonds (distance) P-C4' energy: -74.732 flat angles C4'-P-C4' energy: -77.854 flat angles P-C4'-P energy: -53.001 tors. eta vs tors. theta energy: -114.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1341.258172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.258172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.258172 (E_RNA) where: Base-Base interactions energy: -968.218 where: short stacking energy: -374.673 Base-Backbone interact. energy: -0.980 local terms energy: -372.060093 where: bonds (distance) C4'-P energy: -67.646 bonds (distance) P-C4' energy: -66.157 flat angles C4'-P-C4' energy: -77.969 flat angles P-C4'-P energy: -52.200 tors. eta vs tors. theta energy: -108.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1222.993609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.993609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.993609 (E_RNA) where: Base-Base interactions energy: -875.022 where: short stacking energy: -340.528 Base-Backbone interact. energy: -0.447 local terms energy: -347.524386 where: bonds (distance) C4'-P energy: -59.336 bonds (distance) P-C4' energy: -56.584 flat angles C4'-P-C4' energy: -81.722 flat angles P-C4'-P energy: -49.381 tors. eta vs tors. theta energy: -100.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1203.212157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.212157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.212157 (E_RNA) where: Base-Base interactions energy: -871.596 where: short stacking energy: -353.990 Base-Backbone interact. energy: -1.263 local terms energy: -330.352577 where: bonds (distance) C4'-P energy: -64.815 bonds (distance) P-C4' energy: -48.904 flat angles C4'-P-C4' energy: -67.315 flat angles P-C4'-P energy: -44.415 tors. eta vs tors. theta energy: -104.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -1109.132787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.132787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.132787 (E_RNA) where: Base-Base interactions energy: -778.876 where: short stacking energy: -310.816 Base-Backbone interact. energy: -0.459 local terms energy: -329.797888 where: bonds (distance) C4'-P energy: -51.240 bonds (distance) P-C4' energy: -61.868 flat angles C4'-P-C4' energy: -78.423 flat angles P-C4'-P energy: -50.366 tors. eta vs tors. theta energy: -87.901 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: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1695.941710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.941710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.941710 (E_RNA) where: Base-Base interactions energy: -1230.948 where: short stacking energy: -485.176 Base-Backbone interact. energy: -0.261 local terms energy: -464.732732 where: bonds (distance) C4'-P energy: -79.247 bonds (distance) P-C4' energy: -76.880 flat angles C4'-P-C4' energy: -96.147 flat angles P-C4'-P energy: -62.836 tors. eta vs tors. theta energy: -149.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1559.325314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.325314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.325314 (E_RNA) where: Base-Base interactions energy: -1151.087 where: short stacking energy: -430.033 Base-Backbone interact. energy: 2.411 local terms energy: -410.649943 where: bonds (distance) C4'-P energy: -68.363 bonds (distance) P-C4' energy: -71.674 flat angles C4'-P-C4' energy: -90.016 flat angles P-C4'-P energy: -60.807 tors. eta vs tors. theta energy: -119.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1534.922352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.922352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.922352 (E_RNA) where: Base-Base interactions energy: -1111.589 where: short stacking energy: -446.747 Base-Backbone interact. energy: 4.208 local terms energy: -427.540740 where: bonds (distance) C4'-P energy: -72.867 bonds (distance) P-C4' energy: -75.930 flat angles C4'-P-C4' energy: -87.077 flat angles P-C4'-P energy: -63.828 tors. eta vs tors. theta energy: -127.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1493.438761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.438761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.438761 (E_RNA) where: Base-Base interactions energy: -1074.283 where: short stacking energy: -407.427 Base-Backbone interact. energy: 0.592 local terms energy: -419.747929 where: bonds (distance) C4'-P energy: -68.809 bonds (distance) P-C4' energy: -73.040 flat angles C4'-P-C4' energy: -84.862 flat angles P-C4'-P energy: -66.357 tors. eta vs tors. theta energy: -126.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1427.767476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.767476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.767476 (E_RNA) where: Base-Base interactions energy: -1043.734 where: short stacking energy: -387.249 Base-Backbone interact. energy: -1.646 local terms energy: -382.387885 where: bonds (distance) C4'-P energy: -66.935 bonds (distance) P-C4' energy: -75.832 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -57.252 tors. eta vs tors. theta energy: -107.478 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: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1420.093649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.093649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.093649 (E_RNA) where: Base-Base interactions energy: -1018.003 where: short stacking energy: -396.868 Base-Backbone interact. energy: -0.553 local terms energy: -401.537561 where: bonds (distance) C4'-P energy: -64.025 bonds (distance) P-C4' energy: -73.662 flat angles C4'-P-C4' energy: -85.936 flat angles P-C4'-P energy: -63.601 tors. eta vs tors. theta energy: -114.314 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: 3 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1341.592906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.592906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.592906 (E_RNA) where: Base-Base interactions energy: -975.236 where: short stacking energy: -398.699 Base-Backbone interact. energy: -0.508 local terms energy: -365.848910 where: bonds (distance) C4'-P energy: -57.812 bonds (distance) P-C4' energy: -57.013 flat angles C4'-P-C4' energy: -79.530 flat angles P-C4'-P energy: -55.612 tors. eta vs tors. theta energy: -115.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1241.627663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.627663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.627663 (E_RNA) where: Base-Base interactions energy: -877.782 where: short stacking energy: -345.293 Base-Backbone interact. energy: -0.321 local terms energy: -363.524319 where: bonds (distance) C4'-P energy: -72.599 bonds (distance) P-C4' energy: -64.928 flat angles C4'-P-C4' energy: -84.097 flat angles P-C4'-P energy: -47.878 tors. eta vs tors. theta energy: -94.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1189.964932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.964932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.964932 (E_RNA) where: Base-Base interactions energy: -856.113 where: short stacking energy: -338.855 Base-Backbone interact. energy: 3.344 local terms energy: -337.195640 where: bonds (distance) C4'-P energy: -60.127 bonds (distance) P-C4' energy: -61.557 flat angles C4'-P-C4' energy: -76.906 flat angles P-C4'-P energy: -43.195 tors. eta vs tors. theta energy: -95.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -1050.787511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.787511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.787511 (E_RNA) where: Base-Base interactions energy: -759.954 where: short stacking energy: -292.327 Base-Backbone interact. energy: 0.877 local terms energy: -291.710674 where: bonds (distance) C4'-P energy: -61.126 bonds (distance) P-C4' energy: -57.195 flat angles C4'-P-C4' energy: -61.676 flat angles P-C4'-P energy: -43.441 tors. eta vs tors. theta energy: -68.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1696.931845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.931845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.931845 (E_RNA) where: Base-Base interactions energy: -1233.658 where: short stacking energy: -494.380 Base-Backbone interact. energy: -0.076 local terms energy: -463.198134 where: bonds (distance) C4'-P energy: -76.651 bonds (distance) P-C4' energy: -74.853 flat angles C4'-P-C4' energy: -93.393 flat angles P-C4'-P energy: -70.913 tors. eta vs tors. theta energy: -147.388 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: 9 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1568.852137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.852137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.852137 (E_RNA) where: Base-Base interactions energy: -1133.519 where: short stacking energy: -439.709 Base-Backbone interact. energy: 0.729 local terms energy: -436.062107 where: bonds (distance) C4'-P energy: -76.452 bonds (distance) P-C4' energy: -73.436 flat angles C4'-P-C4' energy: -91.557 flat angles P-C4'-P energy: -69.851 tors. eta vs tors. theta energy: -124.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1529.118590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.118590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.118590 (E_RNA) where: Base-Base interactions energy: -1096.231 where: short stacking energy: -429.431 Base-Backbone interact. energy: -0.897 local terms energy: -431.989932 where: bonds (distance) C4'-P energy: -70.736 bonds (distance) P-C4' energy: -76.047 flat angles C4'-P-C4' energy: -87.811 flat angles P-C4'-P energy: -61.473 tors. eta vs tors. theta energy: -135.922 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: 1 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1489.988687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.988687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.988687 (E_RNA) where: Base-Base interactions energy: -1074.501 where: short stacking energy: -430.439 Base-Backbone interact. energy: -1.905 local terms energy: -413.581925 where: bonds (distance) C4'-P energy: -69.744 bonds (distance) P-C4' energy: -72.369 flat angles C4'-P-C4' energy: -82.473 flat angles P-C4'-P energy: -61.227 tors. eta vs tors. theta energy: -127.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1421.417385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.417385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.417385 (E_RNA) where: Base-Base interactions energy: -1039.129 where: short stacking energy: -393.037 Base-Backbone interact. energy: -0.909 local terms energy: -381.379331 where: bonds (distance) C4'-P energy: -67.619 bonds (distance) P-C4' energy: -73.211 flat angles C4'-P-C4' energy: -74.849 flat angles P-C4'-P energy: -61.880 tors. eta vs tors. theta energy: -103.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1400.561892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.561892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.561892 (E_RNA) where: Base-Base interactions energy: -1022.548 where: short stacking energy: -387.740 Base-Backbone interact. energy: 1.811 local terms energy: -379.824415 where: bonds (distance) C4'-P energy: -63.092 bonds (distance) P-C4' energy: -83.108 flat angles C4'-P-C4' energy: -73.354 flat angles P-C4'-P energy: -45.329 tors. eta vs tors. theta energy: -114.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1353.132920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.132920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.132920 (E_RNA) where: Base-Base interactions energy: -961.896 where: short stacking energy: -377.011 Base-Backbone interact. energy: -0.698 local terms energy: -390.539437 where: bonds (distance) C4'-P energy: -76.175 bonds (distance) P-C4' energy: -65.494 flat angles C4'-P-C4' energy: -81.134 flat angles P-C4'-P energy: -45.576 tors. eta vs tors. theta energy: -122.160 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: 7 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1267.219538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.219538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.219538 (E_RNA) where: Base-Base interactions energy: -915.706 where: short stacking energy: -348.054 Base-Backbone interact. energy: -0.307 local terms energy: -351.206591 where: bonds (distance) C4'-P energy: -59.241 bonds (distance) P-C4' energy: -55.755 flat angles C4'-P-C4' energy: -81.360 flat angles P-C4'-P energy: -49.893 tors. eta vs tors. theta energy: -104.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1144.343724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.343724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.343724 (E_RNA) where: Base-Base interactions energy: -836.099 where: short stacking energy: -331.710 Base-Backbone interact. energy: -0.846 local terms energy: -307.398027 where: bonds (distance) C4'-P energy: -58.136 bonds (distance) P-C4' energy: -67.687 flat angles C4'-P-C4' energy: -60.741 flat angles P-C4'-P energy: -35.425 tors. eta vs tors. theta energy: -85.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -1089.357572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.357572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.357572 (E_RNA) where: Base-Base interactions energy: -770.208 where: short stacking energy: -303.673 Base-Backbone interact. energy: 4.058 local terms energy: -323.206969 where: bonds (distance) C4'-P energy: -60.039 bonds (distance) P-C4' energy: -56.181 flat angles C4'-P-C4' energy: -75.838 flat angles P-C4'-P energy: -53.347 tors. eta vs tors. theta energy: -77.801 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: 5 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1707.942682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.942682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.942682 (E_RNA) where: Base-Base interactions energy: -1239.133 where: short stacking energy: -495.441 Base-Backbone interact. energy: -0.290 local terms energy: -468.519763 where: bonds (distance) C4'-P energy: -79.048 bonds (distance) P-C4' energy: -75.595 flat angles C4'-P-C4' energy: -94.480 flat angles P-C4'-P energy: -69.197 tors. eta vs tors. theta energy: -150.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1581.578090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.578090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.578090 (E_RNA) where: Base-Base interactions energy: -1149.958 where: short stacking energy: -433.996 Base-Backbone interact. energy: 1.112 local terms energy: -432.731913 where: bonds (distance) C4'-P energy: -80.745 bonds (distance) P-C4' energy: -71.815 flat angles C4'-P-C4' energy: -87.302 flat angles P-C4'-P energy: -70.063 tors. eta vs tors. theta energy: -122.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1566.705841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.705841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.705841 (E_RNA) where: Base-Base interactions energy: -1128.802 where: short stacking energy: -452.717 Base-Backbone interact. energy: -0.525 local terms energy: -437.378732 where: bonds (distance) C4'-P energy: -73.512 bonds (distance) P-C4' energy: -76.515 flat angles C4'-P-C4' energy: -93.733 flat angles P-C4'-P energy: -63.261 tors. eta vs tors. theta energy: -130.357 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: 1 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1482.125454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.125454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.125454 (E_RNA) where: Base-Base interactions energy: -1084.222 where: short stacking energy: -425.679 Base-Backbone interact. energy: -1.267 local terms energy: -396.636813 where: bonds (distance) C4'-P energy: -66.997 bonds (distance) P-C4' energy: -69.435 flat angles C4'-P-C4' energy: -82.890 flat angles P-C4'-P energy: -55.489 tors. eta vs tors. theta energy: -121.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1428.942387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.942387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.942387 (E_RNA) where: Base-Base interactions energy: -1026.526 where: short stacking energy: -391.497 Base-Backbone interact. energy: -1.513 local terms energy: -400.903011 where: bonds (distance) C4'-P energy: -77.130 bonds (distance) P-C4' energy: -71.472 flat angles C4'-P-C4' energy: -83.892 flat angles P-C4'-P energy: -58.356 tors. eta vs tors. theta energy: -110.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1416.088085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.088085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.088085 (E_RNA) where: Base-Base interactions energy: -1033.962 where: short stacking energy: -414.136 Base-Backbone interact. energy: -0.662 local terms energy: -381.464198 where: bonds (distance) C4'-P energy: -65.498 bonds (distance) P-C4' energy: -63.023 flat angles C4'-P-C4' energy: -82.551 flat angles P-C4'-P energy: -51.618 tors. eta vs tors. theta energy: -118.774 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: 3 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1358.959147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.959147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.959147 (E_RNA) where: Base-Base interactions energy: -982.368 where: short stacking energy: -392.344 Base-Backbone interact. energy: -0.736 local terms energy: -375.855460 where: bonds (distance) C4'-P energy: -66.322 bonds (distance) P-C4' energy: -64.934 flat angles C4'-P-C4' energy: -77.959 flat angles P-C4'-P energy: -52.025 tors. eta vs tors. theta energy: -114.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1276.828801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.828801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.828801 (E_RNA) where: Base-Base interactions energy: -931.551 where: short stacking energy: -360.319 Base-Backbone interact. energy: -0.542 local terms energy: -344.736543 where: bonds (distance) C4'-P energy: -65.495 bonds (distance) P-C4' energy: -39.154 flat angles C4'-P-C4' energy: -80.387 flat angles P-C4'-P energy: -47.171 tors. eta vs tors. theta energy: -112.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1157.673779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.673779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.673779 (E_RNA) where: Base-Base interactions energy: -827.118 where: short stacking energy: -332.694 Base-Backbone interact. energy: -0.424 local terms energy: -330.132035 where: bonds (distance) C4'-P energy: -50.081 bonds (distance) P-C4' energy: -54.931 flat angles C4'-P-C4' energy: -78.322 flat angles P-C4'-P energy: -55.249 tors. eta vs tors. theta energy: -91.548 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: 8 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -1131.800517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.800517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.800517 (E_RNA) where: Base-Base interactions energy: -804.677 where: short stacking energy: -315.085 Base-Backbone interact. energy: 0.885 local terms energy: -328.008189 where: bonds (distance) C4'-P energy: -51.918 bonds (distance) P-C4' energy: -67.378 flat angles C4'-P-C4' energy: -75.688 flat angles P-C4'-P energy: -44.809 tors. eta vs tors. theta energy: -88.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1714.858872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.858872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.858872 (E_RNA) where: Base-Base interactions energy: -1262.525 where: short stacking energy: -495.372 Base-Backbone interact. energy: 0.416 local terms energy: -452.750281 where: bonds (distance) C4'-P energy: -79.668 bonds (distance) P-C4' energy: -76.294 flat angles C4'-P-C4' energy: -87.454 flat angles P-C4'-P energy: -62.796 tors. eta vs tors. theta energy: -146.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1581.194476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.194476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.194476 (E_RNA) where: Base-Base interactions energy: -1149.200 where: short stacking energy: -439.088 Base-Backbone interact. energy: -2.337 local terms energy: -429.657003 where: bonds (distance) C4'-P energy: -73.105 bonds (distance) P-C4' energy: -86.036 flat angles C4'-P-C4' energy: -89.402 flat angles P-C4'-P energy: -58.958 tors. eta vs tors. theta energy: -122.156 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: 10 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1534.993563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.993563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.993563 (E_RNA) where: Base-Base interactions energy: -1102.734 where: short stacking energy: -438.785 Base-Backbone interact. energy: -1.650 local terms energy: -430.609443 where: bonds (distance) C4'-P energy: -82.732 bonds (distance) P-C4' energy: -66.826 flat angles C4'-P-C4' energy: -88.205 flat angles P-C4'-P energy: -57.760 tors. eta vs tors. theta energy: -135.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1479.564394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.564394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.564394 (E_RNA) where: Base-Base interactions energy: -1068.627 where: short stacking energy: -426.729 Base-Backbone interact. energy: -0.776 local terms energy: -410.161943 where: bonds (distance) C4'-P energy: -61.296 bonds (distance) P-C4' energy: -70.753 flat angles C4'-P-C4' energy: -88.910 flat angles P-C4'-P energy: -64.275 tors. eta vs tors. theta energy: -124.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1434.903797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.903797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.903797 (E_RNA) where: Base-Base interactions energy: -1032.986 where: short stacking energy: -403.387 Base-Backbone interact. energy: -1.081 local terms energy: -400.836082 where: bonds (distance) C4'-P energy: -64.016 bonds (distance) P-C4' energy: -77.343 flat angles C4'-P-C4' energy: -88.733 flat angles P-C4'-P energy: -54.563 tors. eta vs tors. theta energy: -116.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1390.862075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.862075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.862075 (E_RNA) where: Base-Base interactions energy: -1035.418 where: short stacking energy: -394.408 Base-Backbone interact. energy: 1.012 local terms energy: -356.455477 where: bonds (distance) C4'-P energy: -62.623 bonds (distance) P-C4' energy: -49.767 flat angles C4'-P-C4' energy: -86.652 flat angles P-C4'-P energy: -42.647 tors. eta vs tors. theta energy: -114.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1357.455852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.455852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.455852 (E_RNA) where: Base-Base interactions energy: -988.029 where: short stacking energy: -386.304 Base-Backbone interact. energy: 2.103 local terms energy: -371.530043 where: bonds (distance) C4'-P energy: -64.283 bonds (distance) P-C4' energy: -68.983 flat angles C4'-P-C4' energy: -73.332 flat angles P-C4'-P energy: -54.390 tors. eta vs tors. theta energy: -110.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1270.006098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.006098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.006098 (E_RNA) where: Base-Base interactions energy: -924.980 where: short stacking energy: -349.129 Base-Backbone interact. energy: -1.034 local terms energy: -343.991569 where: bonds (distance) C4'-P energy: -58.103 bonds (distance) P-C4' energy: -53.749 flat angles C4'-P-C4' energy: -74.285 flat angles P-C4'-P energy: -60.442 tors. eta vs tors. theta energy: -97.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1151.218667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.218667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.218667 (E_RNA) where: Base-Base interactions energy: -825.619 where: short stacking energy: -342.600 Base-Backbone interact. energy: -0.372 local terms energy: -325.227971 where: bonds (distance) C4'-P energy: -69.495 bonds (distance) P-C4' energy: -52.865 flat angles C4'-P-C4' energy: -71.265 flat angles P-C4'-P energy: -44.087 tors. eta vs tors. theta energy: -87.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -1131.694275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.694275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.694275 (E_RNA) where: Base-Base interactions energy: -786.972 where: short stacking energy: -308.807 Base-Backbone interact. energy: 0.745 local terms energy: -345.467297 where: bonds (distance) C4'-P energy: -70.161 bonds (distance) P-C4' energy: -69.362 flat angles C4'-P-C4' energy: -76.020 flat angles P-C4'-P energy: -44.734 tors. eta vs tors. theta energy: -85.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1702.710162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.710162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.710162 (E_RNA) where: Base-Base interactions energy: -1249.476 where: short stacking energy: -478.624 Base-Backbone interact. energy: -0.354 local terms energy: -452.879753 where: bonds (distance) C4'-P energy: -73.584 bonds (distance) P-C4' energy: -82.248 flat angles C4'-P-C4' energy: -91.889 flat angles P-C4'-P energy: -58.847 tors. eta vs tors. theta energy: -146.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1567.855975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.855975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.855975 (E_RNA) where: Base-Base interactions energy: -1136.555 where: short stacking energy: -438.807 Base-Backbone interact. energy: -0.216 local terms energy: -431.084800 where: bonds (distance) C4'-P energy: -81.275 bonds (distance) P-C4' energy: -76.402 flat angles C4'-P-C4' energy: -86.195 flat angles P-C4'-P energy: -60.433 tors. eta vs tors. theta energy: -126.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1540.314724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.314724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.314724 (E_RNA) where: Base-Base interactions energy: -1106.844 where: short stacking energy: -436.091 Base-Backbone interact. energy: -1.009 local terms energy: -432.461272 where: bonds (distance) C4'-P energy: -78.847 bonds (distance) P-C4' energy: -68.878 flat angles C4'-P-C4' energy: -90.049 flat angles P-C4'-P energy: -67.058 tors. eta vs tors. theta energy: -127.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1475.215050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.215050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.215050 (E_RNA) where: Base-Base interactions energy: -1070.324 where: short stacking energy: -418.873 Base-Backbone interact. energy: -1.557 local terms energy: -403.334306 where: bonds (distance) C4'-P energy: -71.877 bonds (distance) P-C4' energy: -75.519 flat angles C4'-P-C4' energy: -80.672 flat angles P-C4'-P energy: -56.108 tors. eta vs tors. theta energy: -119.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1410.690917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.690917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.690917 (E_RNA) where: Base-Base interactions energy: -1031.490 where: short stacking energy: -389.639 Base-Backbone interact. energy: -0.170 local terms energy: -379.031121 where: bonds (distance) C4'-P energy: -65.596 bonds (distance) P-C4' energy: -62.280 flat angles C4'-P-C4' energy: -82.809 flat angles P-C4'-P energy: -59.785 tors. eta vs tors. theta energy: -108.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1365.997797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.997797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.997797 (E_RNA) where: Base-Base interactions energy: -995.737 where: short stacking energy: -395.681 Base-Backbone interact. energy: 0.402 local terms energy: -370.662575 where: bonds (distance) C4'-P energy: -52.645 bonds (distance) P-C4' energy: -68.242 flat angles C4'-P-C4' energy: -80.912 flat angles P-C4'-P energy: -58.378 tors. eta vs tors. theta energy: -110.485 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: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1334.688027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.688027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.688027 (E_RNA) where: Base-Base interactions energy: -970.071 where: short stacking energy: -382.681 Base-Backbone interact. energy: -0.213 local terms energy: -364.403898 where: bonds (distance) C4'-P energy: -62.644 bonds (distance) P-C4' energy: -63.040 flat angles C4'-P-C4' energy: -78.089 flat angles P-C4'-P energy: -49.266 tors. eta vs tors. theta energy: -111.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1260.014930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.014930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.014930 (E_RNA) where: Base-Base interactions energy: -900.906 where: short stacking energy: -347.801 Base-Backbone interact. energy: -0.802 local terms energy: -358.306970 where: bonds (distance) C4'-P energy: -61.394 bonds (distance) P-C4' energy: -71.428 flat angles C4'-P-C4' energy: -74.599 flat angles P-C4'-P energy: -52.186 tors. eta vs tors. theta energy: -98.699 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: 9, replica: 8 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1076.938750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.938750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.938750 (E_RNA) where: Base-Base interactions energy: -764.392 where: short stacking energy: -306.891 Base-Backbone interact. energy: -1.302 local terms energy: -311.244924 where: bonds (distance) C4'-P energy: -61.809 bonds (distance) P-C4' energy: -70.878 flat angles C4'-P-C4' energy: -65.165 flat angles P-C4'-P energy: -40.786 tors. eta vs tors. theta energy: -72.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -1080.973296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.973296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.973296 (E_RNA) where: Base-Base interactions energy: -794.384 where: short stacking energy: -311.531 Base-Backbone interact. energy: -1.629 local terms energy: -284.960323 where: bonds (distance) C4'-P energy: -45.911 bonds (distance) P-C4' energy: -46.062 flat angles C4'-P-C4' energy: -69.748 flat angles P-C4'-P energy: -41.547 tors. eta vs tors. theta energy: -81.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1702.409488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.409488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.409488 (E_RNA) where: Base-Base interactions energy: -1245.117 where: short stacking energy: -479.986 Base-Backbone interact. energy: -0.079 local terms energy: -457.213480 where: bonds (distance) C4'-P energy: -70.541 bonds (distance) P-C4' energy: -85.952 flat angles C4'-P-C4' energy: -93.688 flat angles P-C4'-P energy: -63.214 tors. eta vs tors. theta energy: -143.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1570.813295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.813295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.813295 (E_RNA) where: Base-Base interactions energy: -1126.811 where: short stacking energy: -439.235 Base-Backbone interact. energy: -0.624 local terms energy: -443.378087 where: bonds (distance) C4'-P energy: -75.693 bonds (distance) P-C4' energy: -74.877 flat angles C4'-P-C4' energy: -90.334 flat angles P-C4'-P energy: -66.606 tors. eta vs tors. theta energy: -135.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1546.003524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.003524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.003524 (E_RNA) where: Base-Base interactions energy: -1138.390 where: short stacking energy: -442.820 Base-Backbone interact. energy: 2.193 local terms energy: -409.807056 where: bonds (distance) C4'-P energy: -72.945 bonds (distance) P-C4' energy: -76.222 flat angles C4'-P-C4' energy: -90.626 flat angles P-C4'-P energy: -47.882 tors. eta vs tors. theta energy: -122.133 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: 4, replica: 1 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1484.828562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.828562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.828562 (E_RNA) where: Base-Base interactions energy: -1086.322 where: short stacking energy: -429.343 Base-Backbone interact. energy: -0.274 local terms energy: -398.232338 where: bonds (distance) C4'-P energy: -78.941 bonds (distance) P-C4' energy: -65.869 flat angles C4'-P-C4' energy: -78.884 flat angles P-C4'-P energy: -50.047 tors. eta vs tors. theta energy: -124.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1421.714469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.714469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.714469 (E_RNA) where: Base-Base interactions energy: -1029.508 where: short stacking energy: -386.819 Base-Backbone interact. energy: 1.978 local terms energy: -394.184597 where: bonds (distance) C4'-P energy: -69.920 bonds (distance) P-C4' energy: -71.429 flat angles C4'-P-C4' energy: -87.657 flat angles P-C4'-P energy: -57.983 tors. eta vs tors. theta energy: -107.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1381.206037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.206037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.206037 (E_RNA) where: Base-Base interactions energy: -992.837 where: short stacking energy: -397.470 Base-Backbone interact. energy: -0.819 local terms energy: -387.550230 where: bonds (distance) C4'-P energy: -71.022 bonds (distance) P-C4' energy: -63.398 flat angles C4'-P-C4' energy: -73.065 flat angles P-C4'-P energy: -67.006 tors. eta vs tors. theta energy: -113.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1330.567819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.567819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.567819 (E_RNA) where: Base-Base interactions energy: -952.486 where: short stacking energy: -375.712 Base-Backbone interact. energy: -0.464 local terms energy: -377.618042 where: bonds (distance) C4'-P energy: -77.363 bonds (distance) P-C4' energy: -62.623 flat angles C4'-P-C4' energy: -78.650 flat angles P-C4'-P energy: -55.631 tors. eta vs tors. theta energy: -103.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1283.989558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.989558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.989558 (E_RNA) where: Base-Base interactions energy: -950.396 where: short stacking energy: -364.314 Base-Backbone interact. energy: 3.410 local terms energy: -337.004082 where: bonds (distance) C4'-P energy: -60.348 bonds (distance) P-C4' energy: -47.131 flat angles C4'-P-C4' energy: -69.953 flat angles P-C4'-P energy: -58.961 tors. eta vs tors. theta energy: -100.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1110.595439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.595439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.595439 (E_RNA) where: Base-Base interactions energy: -805.358 where: short stacking energy: -323.737 Base-Backbone interact. energy: -0.142 local terms energy: -305.095396 where: bonds (distance) C4'-P energy: -58.802 bonds (distance) P-C4' energy: -49.669 flat angles C4'-P-C4' energy: -67.348 flat angles P-C4'-P energy: -44.267 tors. eta vs tors. theta energy: -85.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -1114.369977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.369977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.369977 (E_RNA) where: Base-Base interactions energy: -791.095 where: short stacking energy: -328.017 Base-Backbone interact. energy: -0.103 local terms energy: -323.171617 where: bonds (distance) C4'-P energy: -67.248 bonds (distance) P-C4' energy: -54.693 flat angles C4'-P-C4' energy: -69.496 flat angles P-C4'-P energy: -50.152 tors. eta vs tors. theta energy: -81.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1696.272832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.272832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.272832 (E_RNA) where: Base-Base interactions energy: -1241.760 where: short stacking energy: -473.613 Base-Backbone interact. energy: -0.114 local terms energy: -454.399051 where: bonds (distance) C4'-P energy: -83.843 bonds (distance) P-C4' energy: -73.513 flat angles C4'-P-C4' energy: -91.503 flat angles P-C4'-P energy: -59.674 tors. eta vs tors. theta energy: -145.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1550.141987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.141987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.141987 (E_RNA) where: Base-Base interactions energy: -1130.644 where: short stacking energy: -440.876 Base-Backbone interact. energy: -1.217 local terms energy: -418.280787 where: bonds (distance) C4'-P energy: -72.299 bonds (distance) P-C4' energy: -68.954 flat angles C4'-P-C4' energy: -88.918 flat angles P-C4'-P energy: -58.836 tors. eta vs tors. theta energy: -129.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1555.057991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.057991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.057991 (E_RNA) where: Base-Base interactions energy: -1135.208 where: short stacking energy: -425.832 Base-Backbone interact. energy: -1.166 local terms energy: -418.683918 where: bonds (distance) C4'-P energy: -76.338 bonds (distance) P-C4' energy: -78.375 flat angles C4'-P-C4' energy: -88.498 flat angles P-C4'-P energy: -54.940 tors. eta vs tors. theta energy: -120.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1475.468879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.468879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.468879 (E_RNA) where: Base-Base interactions energy: -1066.788 where: short stacking energy: -416.036 Base-Backbone interact. energy: -1.172 local terms energy: -407.508343 where: bonds (distance) C4'-P energy: -68.705 bonds (distance) P-C4' energy: -81.774 flat angles C4'-P-C4' energy: -81.883 flat angles P-C4'-P energy: -52.661 tors. eta vs tors. theta energy: -122.485 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: 5, replica: 6 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1442.793498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.793498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.793498 (E_RNA) where: Base-Base interactions energy: -1069.429 where: short stacking energy: -408.462 Base-Backbone interact. energy: 0.469 local terms energy: -373.833399 where: bonds (distance) C4'-P energy: -54.561 bonds (distance) P-C4' energy: -74.980 flat angles C4'-P-C4' energy: -77.534 flat angles P-C4'-P energy: -45.362 tors. eta vs tors. theta energy: -121.396 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: 4 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1404.526827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.526827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.526827 (E_RNA) where: Base-Base interactions energy: -1026.233 where: short stacking energy: -391.369 Base-Backbone interact. energy: -0.168 local terms energy: -378.125899 where: bonds (distance) C4'-P energy: -66.961 bonds (distance) P-C4' energy: -58.447 flat angles C4'-P-C4' energy: -77.167 flat angles P-C4'-P energy: -55.462 tors. eta vs tors. theta energy: -120.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1369.067757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.067757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.067757 (E_RNA) where: Base-Base interactions energy: -999.079 where: short stacking energy: -401.880 Base-Backbone interact. energy: 0.526 local terms energy: -370.514326 where: bonds (distance) C4'-P energy: -67.184 bonds (distance) P-C4' energy: -66.195 flat angles C4'-P-C4' energy: -82.449 flat angles P-C4'-P energy: -33.901 tors. eta vs tors. theta energy: -120.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1222.627882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.627882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.627882 (E_RNA) where: Base-Base interactions energy: -887.620 where: short stacking energy: -351.086 Base-Backbone interact. energy: -0.575 local terms energy: -334.433160 where: bonds (distance) C4'-P energy: -54.520 bonds (distance) P-C4' energy: -54.310 flat angles C4'-P-C4' energy: -75.080 flat angles P-C4'-P energy: -48.589 tors. eta vs tors. theta energy: -101.934 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: 2 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1149.572944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.572944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.572944 (E_RNA) where: Base-Base interactions energy: -825.731 where: short stacking energy: -335.505 Base-Backbone interact. energy: 1.204 local terms energy: -325.046085 where: bonds (distance) C4'-P energy: -64.602 bonds (distance) P-C4' energy: -56.317 flat angles C4'-P-C4' energy: -71.355 flat angles P-C4'-P energy: -50.382 tors. eta vs tors. theta energy: -82.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -1092.228022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.228022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.228022 (E_RNA) where: Base-Base interactions energy: -762.574 where: short stacking energy: -319.540 Base-Backbone interact. energy: 0.043 local terms energy: -329.697310 where: bonds (distance) C4'-P energy: -51.286 bonds (distance) P-C4' energy: -69.172 flat angles C4'-P-C4' energy: -74.017 flat angles P-C4'-P energy: -47.261 tors. eta vs tors. theta energy: -87.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1702.344321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.344321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.344321 (E_RNA) where: Base-Base interactions energy: -1235.991 where: short stacking energy: -475.760 Base-Backbone interact. energy: -0.880 local terms energy: -465.472937 where: bonds (distance) C4'-P energy: -74.005 bonds (distance) P-C4' energy: -80.041 flat angles C4'-P-C4' energy: -96.189 flat angles P-C4'-P energy: -68.467 tors. eta vs tors. theta energy: -146.771 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: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1568.652872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.652872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.652872 (E_RNA) where: Base-Base interactions energy: -1160.181 where: short stacking energy: -447.311 Base-Backbone interact. energy: -0.972 local terms energy: -407.499897 where: bonds (distance) C4'-P energy: -68.074 bonds (distance) P-C4' energy: -64.401 flat angles C4'-P-C4' energy: -92.940 flat angles P-C4'-P energy: -53.502 tors. eta vs tors. theta energy: -128.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1561.357664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.357664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.357664 (E_RNA) where: Base-Base interactions energy: -1141.198 where: short stacking energy: -440.361 Base-Backbone interact. energy: -0.866 local terms energy: -419.293896 where: bonds (distance) C4'-P energy: -78.634 bonds (distance) P-C4' energy: -73.123 flat angles C4'-P-C4' energy: -93.653 flat angles P-C4'-P energy: -54.343 tors. eta vs tors. theta energy: -119.541 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: 247 Temperature: 1.050000 Total energy: -1440.549201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.549201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.549201 (E_RNA) where: Base-Base interactions energy: -1061.576 where: short stacking energy: -392.257 Base-Backbone interact. energy: -1.633 local terms energy: -377.340367 where: bonds (distance) C4'-P energy: -64.254 bonds (distance) P-C4' energy: -67.171 flat angles C4'-P-C4' energy: -84.152 flat angles P-C4'-P energy: -54.991 tors. eta vs tors. theta energy: -106.772 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: 1 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1456.757367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.757367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.757367 (E_RNA) where: Base-Base interactions energy: -1050.398 where: short stacking energy: -408.834 Base-Backbone interact. energy: -0.598 local terms energy: -405.761359 where: bonds (distance) C4'-P energy: -62.098 bonds (distance) P-C4' energy: -75.383 flat angles C4'-P-C4' energy: -84.202 flat angles P-C4'-P energy: -60.863 tors. eta vs tors. theta energy: -123.215 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: 4 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1390.540439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.540439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.540439 (E_RNA) where: Base-Base interactions energy: -1015.169 where: short stacking energy: -400.795 Base-Backbone interact. energy: -0.956 local terms energy: -374.415763 where: bonds (distance) C4'-P energy: -63.713 bonds (distance) P-C4' energy: -58.857 flat angles C4'-P-C4' energy: -80.079 flat angles P-C4'-P energy: -55.559 tors. eta vs tors. theta energy: -116.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1369.994061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.994061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.994061 (E_RNA) where: Base-Base interactions energy: -1010.051 where: short stacking energy: -398.853 Base-Backbone interact. energy: 2.379 local terms energy: -362.321648 where: bonds (distance) C4'-P energy: -53.982 bonds (distance) P-C4' energy: -57.499 flat angles C4'-P-C4' energy: -75.011 flat angles P-C4'-P energy: -52.322 tors. eta vs tors. theta energy: -123.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1268.547880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.547880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.547880 (E_RNA) where: Base-Base interactions energy: -911.253 where: short stacking energy: -358.185 Base-Backbone interact. energy: 1.155 local terms energy: -358.450736 where: bonds (distance) C4'-P energy: -62.582 bonds (distance) P-C4' energy: -64.306 flat angles C4'-P-C4' energy: -79.282 flat angles P-C4'-P energy: -53.885 tors. eta vs tors. theta energy: -98.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1082.637205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.637205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.637205 (E_RNA) where: Base-Base interactions energy: -765.066 where: short stacking energy: -296.417 Base-Backbone interact. energy: -0.925 local terms energy: -316.645789 where: bonds (distance) C4'-P energy: -65.386 bonds (distance) P-C4' energy: -66.209 flat angles C4'-P-C4' energy: -59.790 flat angles P-C4'-P energy: -52.845 tors. eta vs tors. theta energy: -72.415 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: 10, replica: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -1108.565040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.565040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.565040 (E_RNA) where: Base-Base interactions energy: -782.933 where: short stacking energy: -317.099 Base-Backbone interact. energy: 0.391 local terms energy: -326.022674 where: bonds (distance) C4'-P energy: -51.362 bonds (distance) P-C4' energy: -68.424 flat angles C4'-P-C4' energy: -69.055 flat angles P-C4'-P energy: -52.615 tors. eta vs tors. theta energy: -84.567 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: 248 Temperature: 0.900000 Total energy: -1699.385944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.385944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.385944 (E_RNA) where: Base-Base interactions energy: -1250.845 where: short stacking energy: -492.114 Base-Backbone interact. energy: -0.185 local terms energy: -448.355873 where: bonds (distance) C4'-P energy: -66.664 bonds (distance) P-C4' energy: -74.897 flat angles C4'-P-C4' energy: -92.386 flat angles P-C4'-P energy: -72.100 tors. eta vs tors. theta energy: -142.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1571.129300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.129300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.129300 (E_RNA) where: Base-Base interactions energy: -1137.088 where: short stacking energy: -447.169 Base-Backbone interact. energy: 0.262 local terms energy: -434.304105 where: bonds (distance) C4'-P energy: -70.876 bonds (distance) P-C4' energy: -82.427 flat angles C4'-P-C4' energy: -90.657 flat angles P-C4'-P energy: -58.515 tors. eta vs tors. theta energy: -131.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1571.578424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.578424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.578424 (E_RNA) where: Base-Base interactions energy: -1146.625 where: short stacking energy: -436.636 Base-Backbone interact. energy: 3.287 local terms energy: -428.240340 where: bonds (distance) C4'-P energy: -84.352 bonds (distance) P-C4' energy: -75.711 flat angles C4'-P-C4' energy: -87.098 flat angles P-C4'-P energy: -59.942 tors. eta vs tors. theta energy: -121.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1476.334545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.334545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.334545 (E_RNA) where: Base-Base interactions energy: -1082.676 where: short stacking energy: -421.073 Base-Backbone interact. energy: -0.021 local terms energy: -393.637614 where: bonds (distance) C4'-P energy: -67.166 bonds (distance) P-C4' energy: -82.855 flat angles C4'-P-C4' energy: -82.692 flat angles P-C4'-P energy: -52.706 tors. eta vs tors. theta energy: -108.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1420.311774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.311774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.311774 (E_RNA) where: Base-Base interactions energy: -1035.312 where: short stacking energy: -398.018 Base-Backbone interact. energy: 1.954 local terms energy: -386.954066 where: bonds (distance) C4'-P energy: -68.319 bonds (distance) P-C4' energy: -57.253 flat angles C4'-P-C4' energy: -82.227 flat angles P-C4'-P energy: -58.607 tors. eta vs tors. theta energy: -120.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1413.074398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.074398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.074398 (E_RNA) where: Base-Base interactions energy: -1040.720 where: short stacking energy: -401.550 Base-Backbone interact. energy: 3.560 local terms energy: -375.914675 where: bonds (distance) C4'-P energy: -65.459 bonds (distance) P-C4' energy: -51.292 flat angles C4'-P-C4' energy: -81.765 flat angles P-C4'-P energy: -61.716 tors. eta vs tors. theta energy: -115.683 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: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1377.898371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.898371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.898371 (E_RNA) where: Base-Base interactions energy: -994.694 where: short stacking energy: -384.241 Base-Backbone interact. energy: -1.312 local terms energy: -381.892695 where: bonds (distance) C4'-P energy: -67.703 bonds (distance) P-C4' energy: -61.736 flat angles C4'-P-C4' energy: -76.323 flat angles P-C4'-P energy: -64.266 tors. eta vs tors. theta energy: -111.865 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: 7 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1253.260060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.260060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.260060 (E_RNA) where: Base-Base interactions energy: -897.443 where: short stacking energy: -341.112 Base-Backbone interact. energy: 2.538 local terms energy: -358.355792 where: bonds (distance) C4'-P energy: -67.955 bonds (distance) P-C4' energy: -73.987 flat angles C4'-P-C4' energy: -79.115 flat angles P-C4'-P energy: -50.753 tors. eta vs tors. theta energy: -86.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1162.851597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.851597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.851597 (E_RNA) where: Base-Base interactions energy: -831.097 where: short stacking energy: -320.116 Base-Backbone interact. energy: 0.446 local terms energy: -332.201056 where: bonds (distance) C4'-P energy: -59.250 bonds (distance) P-C4' energy: -68.813 flat angles C4'-P-C4' energy: -67.348 flat angles P-C4'-P energy: -45.502 tors. eta vs tors. theta energy: -91.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -1103.813587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.813587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.813587 (E_RNA) where: Base-Base interactions energy: -757.789 where: short stacking energy: -304.884 Base-Backbone interact. energy: -1.368 local terms energy: -344.657030 where: bonds (distance) C4'-P energy: -71.954 bonds (distance) P-C4' energy: -62.624 flat angles C4'-P-C4' energy: -73.484 flat angles P-C4'-P energy: -55.490 tors. eta vs tors. theta energy: -81.104 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: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1701.358675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.358675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.358675 (E_RNA) where: Base-Base interactions energy: -1230.423 where: short stacking energy: -485.286 Base-Backbone interact. energy: 1.537 local terms energy: -472.472607 where: bonds (distance) C4'-P energy: -80.349 bonds (distance) P-C4' energy: -81.992 flat angles C4'-P-C4' energy: -92.558 flat angles P-C4'-P energy: -69.306 tors. eta vs tors. theta energy: -148.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1582.411784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.411784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.411784 (E_RNA) where: Base-Base interactions energy: -1148.986 where: short stacking energy: -442.878 Base-Backbone interact. energy: 0.563 local terms energy: -433.989017 where: bonds (distance) C4'-P energy: -83.874 bonds (distance) P-C4' energy: -73.650 flat angles C4'-P-C4' energy: -89.100 flat angles P-C4'-P energy: -60.650 tors. eta vs tors. theta energy: -126.715 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: 10 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1536.611164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.611164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.611164 (E_RNA) where: Base-Base interactions energy: -1119.749 where: short stacking energy: -428.755 Base-Backbone interact. energy: -1.034 local terms energy: -415.828106 where: bonds (distance) C4'-P energy: -70.782 bonds (distance) P-C4' energy: -78.628 flat angles C4'-P-C4' energy: -86.079 flat angles P-C4'-P energy: -54.609 tors. eta vs tors. theta energy: -125.730 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: 249 Temperature: 1.050000 Total energy: -1462.516960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.516960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.516960 (E_RNA) where: Base-Base interactions energy: -1074.348 where: short stacking energy: -405.788 Base-Backbone interact. energy: -0.674 local terms energy: -387.494867 where: bonds (distance) C4'-P energy: -78.842 bonds (distance) P-C4' energy: -58.915 flat angles C4'-P-C4' energy: -77.814 flat angles P-C4'-P energy: -56.129 tors. eta vs tors. theta energy: -115.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1442.046088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.046088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.046088 (E_RNA) where: Base-Base interactions energy: -1042.088 where: short stacking energy: -407.937 Base-Backbone interact. energy: 0.236 local terms energy: -400.194366 where: bonds (distance) C4'-P energy: -65.818 bonds (distance) P-C4' energy: -72.062 flat angles C4'-P-C4' energy: -82.244 flat angles P-C4'-P energy: -63.742 tors. eta vs tors. theta energy: -116.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1407.937334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.937334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.937334 (E_RNA) where: Base-Base interactions energy: -1020.652 where: short stacking energy: -397.194 Base-Backbone interact. energy: -0.133 local terms energy: -387.151746 where: bonds (distance) C4'-P energy: -51.158 bonds (distance) P-C4' energy: -69.393 flat angles C4'-P-C4' energy: -88.633 flat angles P-C4'-P energy: -57.434 tors. eta vs tors. theta energy: -120.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1356.910388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.910388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.910388 (E_RNA) where: Base-Base interactions energy: -981.584 where: short stacking energy: -391.863 Base-Backbone interact. energy: -1.486 local terms energy: -373.841060 where: bonds (distance) C4'-P energy: -66.745 bonds (distance) P-C4' energy: -56.981 flat angles C4'-P-C4' energy: -82.303 flat angles P-C4'-P energy: -56.374 tors. eta vs tors. theta energy: -111.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1253.236430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.236430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.236430 (E_RNA) where: Base-Base interactions energy: -925.436 where: short stacking energy: -347.984 Base-Backbone interact. energy: 1.571 local terms energy: -329.371697 where: bonds (distance) C4'-P energy: -58.760 bonds (distance) P-C4' energy: -60.251 flat angles C4'-P-C4' energy: -78.230 flat angles P-C4'-P energy: -28.032 tors. eta vs tors. theta energy: -104.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1162.148130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.148130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.148130 (E_RNA) where: Base-Base interactions energy: -816.169 where: short stacking energy: -315.967 Base-Backbone interact. energy: -2.160 local terms energy: -343.818719 where: bonds (distance) C4'-P energy: -67.214 bonds (distance) P-C4' energy: -66.837 flat angles C4'-P-C4' energy: -71.547 flat angles P-C4'-P energy: -46.361 tors. eta vs tors. theta energy: -91.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -1120.306817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.306817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.306817 (E_RNA) where: Base-Base interactions energy: -799.112 where: short stacking energy: -305.706 Base-Backbone interact. energy: 0.585 local terms energy: -321.779436 where: bonds (distance) C4'-P energy: -63.528 bonds (distance) P-C4' energy: -62.998 flat angles C4'-P-C4' energy: -61.604 flat angles P-C4'-P energy: -49.984 tors. eta vs tors. theta energy: -83.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1695.813216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.813216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.813216 (E_RNA) where: Base-Base interactions energy: -1243.097 where: short stacking energy: -488.199 Base-Backbone interact. energy: -0.103 local terms energy: -452.613469 where: bonds (distance) C4'-P energy: -80.338 bonds (distance) P-C4' energy: -68.500 flat angles C4'-P-C4' energy: -94.457 flat angles P-C4'-P energy: -63.141 tors. eta vs tors. theta energy: -146.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1575.878671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.878671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.878671 (E_RNA) where: Base-Base interactions energy: -1166.139 where: short stacking energy: -453.558 Base-Backbone interact. energy: 1.752 local terms energy: -411.491305 where: bonds (distance) C4'-P energy: -62.362 bonds (distance) P-C4' energy: -80.137 flat angles C4'-P-C4' energy: -93.035 flat angles P-C4'-P energy: -53.827 tors. eta vs tors. theta energy: -122.129 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: 10 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1531.664016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.664016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.664016 (E_RNA) where: Base-Base interactions energy: -1138.043 where: short stacking energy: -432.185 Base-Backbone interact. energy: -0.576 local terms energy: -393.044995 where: bonds (distance) C4'-P energy: -72.233 bonds (distance) P-C4' energy: -59.232 flat angles C4'-P-C4' energy: -88.190 flat angles P-C4'-P energy: -56.212 tors. eta vs tors. theta energy: -117.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1472.098580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.098580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.098580 (E_RNA) where: Base-Base interactions energy: -1064.549 where: short stacking energy: -416.755 Base-Backbone interact. energy: -0.576 local terms energy: -406.973628 where: bonds (distance) C4'-P energy: -73.204 bonds (distance) P-C4' energy: -75.302 flat angles C4'-P-C4' energy: -82.245 flat angles P-C4'-P energy: -53.315 tors. eta vs tors. theta energy: -122.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1443.201404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.201404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.201404 (E_RNA) where: Base-Base interactions energy: -1060.028 where: short stacking energy: -409.378 Base-Backbone interact. energy: -0.377 local terms energy: -382.795707 where: bonds (distance) C4'-P energy: -69.420 bonds (distance) P-C4' energy: -67.269 flat angles C4'-P-C4' energy: -71.604 flat angles P-C4'-P energy: -55.803 tors. eta vs tors. theta energy: -118.699 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: 6, replica: 4 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1405.597254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.597254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.597254 (E_RNA) where: Base-Base interactions energy: -1028.613 where: short stacking energy: -405.500 Base-Backbone interact. energy: 0.705 local terms energy: -377.689106 where: bonds (distance) C4'-P energy: -75.367 bonds (distance) P-C4' energy: -53.703 flat angles C4'-P-C4' energy: -81.141 flat angles P-C4'-P energy: -55.419 tors. eta vs tors. theta energy: -112.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1360.933314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.933314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.933314 (E_RNA) where: Base-Base interactions energy: -993.521 where: short stacking energy: -400.787 Base-Backbone interact. energy: 3.112 local terms energy: -370.523475 where: bonds (distance) C4'-P energy: -60.491 bonds (distance) P-C4' energy: -59.828 flat angles C4'-P-C4' energy: -82.884 flat angles P-C4'-P energy: -54.176 tors. eta vs tors. theta energy: -113.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1300.305529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.305529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.305529 (E_RNA) where: Base-Base interactions energy: -938.026 where: short stacking energy: -361.853 Base-Backbone interact. energy: 0.747 local terms energy: -363.026424 where: bonds (distance) C4'-P energy: -66.185 bonds (distance) P-C4' energy: -70.016 flat angles C4'-P-C4' energy: -67.215 flat angles P-C4'-P energy: -54.089 tors. eta vs tors. theta energy: -105.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1212.573191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.573191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.573191 (E_RNA) where: Base-Base interactions energy: -858.385 where: short stacking energy: -344.227 Base-Backbone interact. energy: 0.885 local terms energy: -355.072944 where: bonds (distance) C4'-P energy: -62.333 bonds (distance) P-C4' energy: -72.549 flat angles C4'-P-C4' energy: -77.659 flat angles P-C4'-P energy: -43.512 tors. eta vs tors. theta energy: -99.020 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: 8 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -1140.836009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.836009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.836009 (E_RNA) where: Base-Base interactions energy: -790.150 where: short stacking energy: -323.549 Base-Backbone interact. energy: 0.388 local terms energy: -351.074188 where: bonds (distance) C4'-P energy: -64.786 bonds (distance) P-C4' energy: -73.635 flat angles C4'-P-C4' energy: -64.928 flat angles P-C4'-P energy: -44.327 tors. eta vs tors. theta energy: -103.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1701.634094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.634094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.634094 (E_RNA) where: Base-Base interactions energy: -1242.513 where: short stacking energy: -486.695 Base-Backbone interact. energy: -0.415 local terms energy: -458.706165 where: bonds (distance) C4'-P energy: -81.006 bonds (distance) P-C4' energy: -71.688 flat angles C4'-P-C4' energy: -93.045 flat angles P-C4'-P energy: -65.302 tors. eta vs tors. theta energy: -147.665 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: 2, replica: 9 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1574.661449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.661449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.661449 (E_RNA) where: Base-Base interactions energy: -1158.236 where: short stacking energy: -441.410 Base-Backbone interact. energy: -1.440 local terms energy: -414.985457 where: bonds (distance) C4'-P energy: -76.059 bonds (distance) P-C4' energy: -61.409 flat angles C4'-P-C4' energy: -89.229 flat angles P-C4'-P energy: -63.594 tors. eta vs tors. theta energy: -124.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1544.294492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.294492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.294492 (E_RNA) where: Base-Base interactions energy: -1115.987 where: short stacking energy: -442.759 Base-Backbone interact. energy: 0.055 local terms energy: -428.362433 where: bonds (distance) C4'-P energy: -71.330 bonds (distance) P-C4' energy: -73.657 flat angles C4'-P-C4' energy: -84.879 flat angles P-C4'-P energy: -68.403 tors. eta vs tors. theta energy: -130.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1465.254625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.254625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.254625 (E_RNA) where: Base-Base interactions energy: -1061.127 where: short stacking energy: -390.658 Base-Backbone interact. energy: -2.866 local terms energy: -401.261290 where: bonds (distance) C4'-P energy: -69.951 bonds (distance) P-C4' energy: -71.325 flat angles C4'-P-C4' energy: -89.448 flat angles P-C4'-P energy: -60.814 tors. eta vs tors. theta energy: -109.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1449.410637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.410637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.410637 (E_RNA) where: Base-Base interactions energy: -1047.647 where: short stacking energy: -407.817 Base-Backbone interact. energy: -0.496 local terms energy: -401.267718 where: bonds (distance) C4'-P energy: -63.489 bonds (distance) P-C4' energy: -66.345 flat angles C4'-P-C4' energy: -90.408 flat angles P-C4'-P energy: -58.986 tors. eta vs tors. theta energy: -122.040 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: 6, replica: 4 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1413.326859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.326859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.326859 (E_RNA) where: Base-Base interactions energy: -1031.512 where: short stacking energy: -395.826 Base-Backbone interact. energy: 0.148 local terms energy: -381.962781 where: bonds (distance) C4'-P energy: -64.081 bonds (distance) P-C4' energy: -57.391 flat angles C4'-P-C4' energy: -78.687 flat angles P-C4'-P energy: -60.248 tors. eta vs tors. theta energy: -121.556 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: 3 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1372.754976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.754976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.754976 (E_RNA) where: Base-Base interactions energy: -987.615 where: short stacking energy: -391.265 Base-Backbone interact. energy: 1.726 local terms energy: -386.865100 where: bonds (distance) C4'-P energy: -64.934 bonds (distance) P-C4' energy: -59.141 flat angles C4'-P-C4' energy: -84.720 flat angles P-C4'-P energy: -61.221 tors. eta vs tors. theta energy: -116.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1259.983562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.983562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.983562 (E_RNA) where: Base-Base interactions energy: -920.252 where: short stacking energy: -356.857 Base-Backbone interact. energy: -0.198 local terms energy: -339.533248 where: bonds (distance) C4'-P energy: -67.802 bonds (distance) P-C4' energy: -59.424 flat angles C4'-P-C4' energy: -76.381 flat angles P-C4'-P energy: -38.782 tors. eta vs tors. theta energy: -97.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1169.410571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.410571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.410571 (E_RNA) where: Base-Base interactions energy: -836.128 where: short stacking energy: -325.827 Base-Backbone interact. energy: -2.196 local terms energy: -331.086747 where: bonds (distance) C4'-P energy: -60.589 bonds (distance) P-C4' energy: -53.948 flat angles C4'-P-C4' energy: -70.163 flat angles P-C4'-P energy: -50.890 tors. eta vs tors. theta energy: -95.496 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: 8 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -1141.286373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.286373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.286373 (E_RNA) where: Base-Base interactions energy: -826.869 where: short stacking energy: -328.313 Base-Backbone interact. energy: 8.601 local terms energy: -323.018006 where: bonds (distance) C4'-P energy: -64.680 bonds (distance) P-C4' energy: -52.947 flat angles C4'-P-C4' energy: -68.899 flat angles P-C4'-P energy: -48.741 tors. eta vs tors. theta energy: -87.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1697.044475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.044475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.044475 (E_RNA) where: Base-Base interactions energy: -1233.835 where: short stacking energy: -490.148 Base-Backbone interact. energy: 0.023 local terms energy: -463.231799 where: bonds (distance) C4'-P energy: -79.993 bonds (distance) P-C4' energy: -82.245 flat angles C4'-P-C4' energy: -85.009 flat angles P-C4'-P energy: -69.984 tors. eta vs tors. theta energy: -146.000 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: 9 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1568.334204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.334204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.334204 (E_RNA) where: Base-Base interactions energy: -1134.984 where: short stacking energy: -431.652 Base-Backbone interact. energy: -0.327 local terms energy: -433.022429 where: bonds (distance) C4'-P energy: -72.928 bonds (distance) P-C4' energy: -80.504 flat angles C4'-P-C4' energy: -84.590 flat angles P-C4'-P energy: -66.711 tors. eta vs tors. theta energy: -128.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1520.093946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.093946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.093946 (E_RNA) where: Base-Base interactions energy: -1101.799 where: short stacking energy: -434.686 Base-Backbone interact. energy: -0.948 local terms energy: -417.346119 where: bonds (distance) C4'-P energy: -73.067 bonds (distance) P-C4' energy: -74.398 flat angles C4'-P-C4' energy: -86.830 flat angles P-C4'-P energy: -52.117 tors. eta vs tors. theta energy: -130.935 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: 6 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1469.419401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.419401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.419401 (E_RNA) where: Base-Base interactions energy: -1061.358 where: short stacking energy: -405.540 Base-Backbone interact. energy: 0.648 local terms energy: -408.709330 where: bonds (distance) C4'-P energy: -74.669 bonds (distance) P-C4' energy: -80.519 flat angles C4'-P-C4' energy: -81.861 flat angles P-C4'-P energy: -57.454 tors. eta vs tors. theta energy: -114.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1462.318634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.318634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.318634 (E_RNA) where: Base-Base interactions energy: -1068.524 where: short stacking energy: -405.970 Base-Backbone interact. energy: 1.473 local terms energy: -395.267352 where: bonds (distance) C4'-P energy: -70.978 bonds (distance) P-C4' energy: -62.457 flat angles C4'-P-C4' energy: -84.702 flat angles P-C4'-P energy: -54.665 tors. eta vs tors. theta energy: -122.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1400.327250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.327250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.327250 (E_RNA) where: Base-Base interactions energy: -1032.104 where: short stacking energy: -393.341 Base-Backbone interact. energy: -1.095 local terms energy: -367.127707 where: bonds (distance) C4'-P energy: -54.564 bonds (distance) P-C4' energy: -50.686 flat angles C4'-P-C4' energy: -81.862 flat angles P-C4'-P energy: -61.049 tors. eta vs tors. theta energy: -118.967 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: 3 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1361.784787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.784787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.784787 (E_RNA) where: Base-Base interactions energy: -994.818 where: short stacking energy: -391.205 Base-Backbone interact. energy: -0.060 local terms energy: -366.906700 where: bonds (distance) C4'-P energy: -68.191 bonds (distance) P-C4' energy: -56.673 flat angles C4'-P-C4' energy: -81.985 flat angles P-C4'-P energy: -48.082 tors. eta vs tors. theta energy: -111.975 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: 7 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1253.008386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.008386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.008386 (E_RNA) where: Base-Base interactions energy: -908.078 where: short stacking energy: -351.564 Base-Backbone interact. energy: -1.131 local terms energy: -343.799424 where: bonds (distance) C4'-P energy: -58.582 bonds (distance) P-C4' energy: -60.309 flat angles C4'-P-C4' energy: -74.667 flat angles P-C4'-P energy: -44.819 tors. eta vs tors. theta energy: -105.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1161.990156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.990156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.990156 (E_RNA) where: Base-Base interactions energy: -844.294 where: short stacking energy: -343.586 Base-Backbone interact. energy: -0.649 local terms energy: -317.046536 where: bonds (distance) C4'-P energy: -57.304 bonds (distance) P-C4' energy: -46.572 flat angles C4'-P-C4' energy: -74.408 flat angles P-C4'-P energy: -48.685 tors. eta vs tors. theta energy: -90.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -1198.490401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.490401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.490401 (E_RNA) where: Base-Base interactions energy: -864.875 where: short stacking energy: -343.475 Base-Backbone interact. energy: -0.519 local terms energy: -333.095791 where: bonds (distance) C4'-P energy: -50.970 bonds (distance) P-C4' energy: -60.377 flat angles C4'-P-C4' energy: -73.256 flat angles P-C4'-P energy: -49.090 tors. eta vs tors. theta energy: -99.403 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: 253 Temperature: 0.900000 Total energy: -1697.206132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.206132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.206132 (E_RNA) where: Base-Base interactions energy: -1256.744 where: short stacking energy: -486.810 Base-Backbone interact. energy: 1.151 local terms energy: -441.612325 where: bonds (distance) C4'-P energy: -72.154 bonds (distance) P-C4' energy: -70.708 flat angles C4'-P-C4' energy: -92.637 flat angles P-C4'-P energy: -58.876 tors. eta vs tors. theta energy: -147.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1580.141871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.141871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.141871 (E_RNA) where: Base-Base interactions energy: -1157.615 where: short stacking energy: -432.827 Base-Backbone interact. energy: -0.615 local terms energy: -421.912534 where: bonds (distance) C4'-P energy: -74.797 bonds (distance) P-C4' energy: -78.651 flat angles C4'-P-C4' energy: -86.134 flat angles P-C4'-P energy: -58.400 tors. eta vs tors. theta energy: -123.930 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: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1540.158136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.158136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.158136 (E_RNA) where: Base-Base interactions energy: -1111.059 where: short stacking energy: -442.758 Base-Backbone interact. energy: 0.273 local terms energy: -429.371714 where: bonds (distance) C4'-P energy: -70.275 bonds (distance) P-C4' energy: -74.379 flat angles C4'-P-C4' energy: -88.367 flat angles P-C4'-P energy: -61.191 tors. eta vs tors. theta energy: -135.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1498.353567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.353567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.353567 (E_RNA) where: Base-Base interactions energy: -1094.088 where: short stacking energy: -404.359 Base-Backbone interact. energy: -2.441 local terms energy: -401.823685 where: bonds (distance) C4'-P energy: -73.490 bonds (distance) P-C4' energy: -80.535 flat angles C4'-P-C4' energy: -86.140 flat angles P-C4'-P energy: -49.343 tors. eta vs tors. theta energy: -112.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1459.164733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.164733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.164733 (E_RNA) where: Base-Base interactions energy: -1068.964 where: short stacking energy: -408.812 Base-Backbone interact. energy: -0.739 local terms energy: -389.461338 where: bonds (distance) C4'-P energy: -70.919 bonds (distance) P-C4' energy: -60.078 flat angles C4'-P-C4' energy: -80.057 flat angles P-C4'-P energy: -53.963 tors. eta vs tors. theta energy: -124.444 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: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1403.975921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.975921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.975921 (E_RNA) where: Base-Base interactions energy: -1015.899 where: short stacking energy: -391.394 Base-Backbone interact. energy: -0.938 local terms energy: -387.137991 where: bonds (distance) C4'-P energy: -57.636 bonds (distance) P-C4' energy: -64.617 flat angles C4'-P-C4' energy: -84.551 flat angles P-C4'-P energy: -62.909 tors. eta vs tors. theta energy: -117.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1365.668233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.668233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.668233 (E_RNA) where: Base-Base interactions energy: -999.804 where: short stacking energy: -395.770 Base-Backbone interact. energy: 0.800 local terms energy: -366.664300 where: bonds (distance) C4'-P energy: -59.363 bonds (distance) P-C4' energy: -60.685 flat angles C4'-P-C4' energy: -83.605 flat angles P-C4'-P energy: -51.347 tors. eta vs tors. theta energy: -111.665 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: 7 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1269.777808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.777808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.777808 (E_RNA) where: Base-Base interactions energy: -893.853 where: short stacking energy: -356.240 Base-Backbone interact. energy: -1.368 local terms energy: -374.556411 where: bonds (distance) C4'-P energy: -73.244 bonds (distance) P-C4' energy: -67.002 flat angles C4'-P-C4' energy: -73.016 flat angles P-C4'-P energy: -55.323 tors. eta vs tors. theta energy: -105.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1158.642097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.642097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.642097 (E_RNA) where: Base-Base interactions energy: -824.293 where: short stacking energy: -334.284 Base-Backbone interact. energy: -0.979 local terms energy: -333.370380 where: bonds (distance) C4'-P energy: -60.442 bonds (distance) P-C4' energy: -62.035 flat angles C4'-P-C4' energy: -73.637 flat angles P-C4'-P energy: -45.190 tors. eta vs tors. theta energy: -92.066 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: 2 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -1129.400982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.400982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.400982 (E_RNA) where: Base-Base interactions energy: -825.010 where: short stacking energy: -319.517 Base-Backbone interact. energy: 0.390 local terms energy: -304.780702 where: bonds (distance) C4'-P energy: -42.848 bonds (distance) P-C4' energy: -63.162 flat angles C4'-P-C4' energy: -67.483 flat angles P-C4'-P energy: -40.547 tors. eta vs tors. theta energy: -90.740 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: 1, replica: 5 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1709.863614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.863614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.863614 (E_RNA) where: Base-Base interactions energy: -1240.186 where: short stacking energy: -484.637 Base-Backbone interact. energy: -0.095 local terms energy: -469.582533 where: bonds (distance) C4'-P energy: -83.152 bonds (distance) P-C4' energy: -79.861 flat angles C4'-P-C4' energy: -87.584 flat angles P-C4'-P energy: -75.181 tors. eta vs tors. theta energy: -143.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1597.434627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.434627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.434627 (E_RNA) where: Base-Base interactions energy: -1183.453 where: short stacking energy: -445.750 Base-Backbone interact. energy: -2.283 local terms energy: -411.698628 where: bonds (distance) C4'-P energy: -74.582 bonds (distance) P-C4' energy: -79.604 flat angles C4'-P-C4' energy: -81.786 flat angles P-C4'-P energy: -49.465 tors. eta vs tors. theta energy: -126.261 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: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1551.075233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.075233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.075233 (E_RNA) where: Base-Base interactions energy: -1125.705 where: short stacking energy: -446.648 Base-Backbone interact. energy: 0.593 local terms energy: -425.963449 where: bonds (distance) C4'-P energy: -65.279 bonds (distance) P-C4' energy: -71.518 flat angles C4'-P-C4' energy: -95.875 flat angles P-C4'-P energy: -63.975 tors. eta vs tors. theta energy: -129.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1484.718654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.718654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.718654 (E_RNA) where: Base-Base interactions energy: -1086.576 where: short stacking energy: -415.011 Base-Backbone interact. energy: -2.842 local terms energy: -395.301273 where: bonds (distance) C4'-P energy: -69.064 bonds (distance) P-C4' energy: -66.616 flat angles C4'-P-C4' energy: -79.845 flat angles P-C4'-P energy: -59.047 tors. eta vs tors. theta energy: -120.730 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: 5, replica: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1433.815199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.815199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.815199 (E_RNA) where: Base-Base interactions energy: -1061.020 where: short stacking energy: -409.921 Base-Backbone interact. energy: 2.455 local terms energy: -375.249631 where: bonds (distance) C4'-P energy: -56.670 bonds (distance) P-C4' energy: -62.437 flat angles C4'-P-C4' energy: -87.106 flat angles P-C4'-P energy: -58.386 tors. eta vs tors. theta energy: -110.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1440.354929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.354929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.354929 (E_RNA) where: Base-Base interactions energy: -1047.095 where: short stacking energy: -415.408 Base-Backbone interact. energy: -0.427 local terms energy: -392.833118 where: bonds (distance) C4'-P energy: -63.054 bonds (distance) P-C4' energy: -67.072 flat angles C4'-P-C4' energy: -87.082 flat angles P-C4'-P energy: -50.816 tors. eta vs tors. theta energy: -124.809 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: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1342.148007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.148007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.148007 (E_RNA) where: Base-Base interactions energy: -960.941 where: short stacking energy: -393.069 Base-Backbone interact. energy: 0.512 local terms energy: -381.718805 where: bonds (distance) C4'-P energy: -62.267 bonds (distance) P-C4' energy: -70.189 flat angles C4'-P-C4' energy: -84.654 flat angles P-C4'-P energy: -50.572 tors. eta vs tors. theta energy: -114.036 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: 7 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1262.184251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.184251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.184251 (E_RNA) where: Base-Base interactions energy: -933.457 where: short stacking energy: -367.874 Base-Backbone interact. energy: 2.635 local terms energy: -331.362289 where: bonds (distance) C4'-P energy: -56.255 bonds (distance) P-C4' energy: -56.569 flat angles C4'-P-C4' energy: -70.822 flat angles P-C4'-P energy: -45.548 tors. eta vs tors. theta energy: -102.169 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: 8 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1144.929827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.929827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.929827 (E_RNA) where: Base-Base interactions energy: -811.586 where: short stacking energy: -320.587 Base-Backbone interact. energy: 2.954 local terms energy: -336.297663 where: bonds (distance) C4'-P energy: -50.321 bonds (distance) P-C4' energy: -70.168 flat angles C4'-P-C4' energy: -76.346 flat angles P-C4'-P energy: -49.467 tors. eta vs tors. theta energy: -89.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -1179.614622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.614622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.614622 (E_RNA) where: Base-Base interactions energy: -839.659 where: short stacking energy: -325.296 Base-Backbone interact. energy: -0.554 local terms energy: -339.401676 where: bonds (distance) C4'-P energy: -66.652 bonds (distance) P-C4' energy: -51.883 flat angles C4'-P-C4' energy: -78.527 flat angles P-C4'-P energy: -51.585 tors. eta vs tors. theta energy: -90.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1703.295771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.295771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.295771 (E_RNA) where: Base-Base interactions energy: -1252.727 where: short stacking energy: -490.034 Base-Backbone interact. energy: 0.640 local terms energy: -451.208797 where: bonds (distance) C4'-P energy: -71.591 bonds (distance) P-C4' energy: -81.017 flat angles C4'-P-C4' energy: -90.050 flat angles P-C4'-P energy: -68.418 tors. eta vs tors. theta energy: -140.133 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: 2, replica: 9 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1572.638624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.638624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.638624 (E_RNA) where: Base-Base interactions energy: -1159.316 where: short stacking energy: -445.465 Base-Backbone interact. energy: 0.279 local terms energy: -413.601543 where: bonds (distance) C4'-P energy: -71.763 bonds (distance) P-C4' energy: -60.859 flat angles C4'-P-C4' energy: -95.818 flat angles P-C4'-P energy: -55.994 tors. eta vs tors. theta energy: -129.168 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: 3, replica: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1540.356033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.356033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.356033 (E_RNA) where: Base-Base interactions energy: -1127.531 where: short stacking energy: -447.356 Base-Backbone interact. energy: -0.440 local terms energy: -412.385124 where: bonds (distance) C4'-P energy: -62.403 bonds (distance) P-C4' energy: -80.092 flat angles C4'-P-C4' energy: -88.349 flat angles P-C4'-P energy: -54.396 tors. eta vs tors. theta energy: -127.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1486.394424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.394424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.394424 (E_RNA) where: Base-Base interactions energy: -1089.108 where: short stacking energy: -412.117 Base-Backbone interact. energy: -0.238 local terms energy: -397.049185 where: bonds (distance) C4'-P energy: -68.696 bonds (distance) P-C4' energy: -66.729 flat angles C4'-P-C4' energy: -94.114 flat angles P-C4'-P energy: -53.584 tors. eta vs tors. theta energy: -113.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1431.091370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.091370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.091370 (E_RNA) where: Base-Base interactions energy: -1033.998 where: short stacking energy: -399.774 Base-Backbone interact. energy: -0.220 local terms energy: -396.873393 where: bonds (distance) C4'-P energy: -68.220 bonds (distance) P-C4' energy: -63.937 flat angles C4'-P-C4' energy: -80.745 flat angles P-C4'-P energy: -69.650 tors. eta vs tors. theta energy: -114.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1447.628870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.628870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.628870 (E_RNA) where: Base-Base interactions energy: -1057.324 where: short stacking energy: -407.529 Base-Backbone interact. energy: 2.301 local terms energy: -392.606401 where: bonds (distance) C4'-P energy: -67.691 bonds (distance) P-C4' energy: -62.563 flat angles C4'-P-C4' energy: -80.799 flat angles P-C4'-P energy: -60.700 tors. eta vs tors. theta energy: -120.853 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: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1375.452043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.452043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.452043 (E_RNA) where: Base-Base interactions energy: -981.192 where: short stacking energy: -392.288 Base-Backbone interact. energy: -0.096 local terms energy: -394.164504 where: bonds (distance) C4'-P energy: -65.407 bonds (distance) P-C4' energy: -63.729 flat angles C4'-P-C4' energy: -84.781 flat angles P-C4'-P energy: -56.044 tors. eta vs tors. theta energy: -124.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1259.032054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.032054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.032054 (E_RNA) where: Base-Base interactions energy: -907.757 where: short stacking energy: -365.496 Base-Backbone interact. energy: 1.088 local terms energy: -352.362975 where: bonds (distance) C4'-P energy: -55.578 bonds (distance) P-C4' energy: -61.787 flat angles C4'-P-C4' energy: -77.705 flat angles P-C4'-P energy: -57.970 tors. eta vs tors. theta energy: -99.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1144.558953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.558953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.558953 (E_RNA) where: Base-Base interactions energy: -821.118 where: short stacking energy: -314.603 Base-Backbone interact. energy: 2.554 local terms energy: -325.995781 where: bonds (distance) C4'-P energy: -56.872 bonds (distance) P-C4' energy: -66.223 flat angles C4'-P-C4' energy: -64.563 flat angles P-C4'-P energy: -43.590 tors. eta vs tors. theta energy: -94.748 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: 2 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -1203.064550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.064550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.064550 (E_RNA) where: Base-Base interactions energy: -864.932 where: short stacking energy: -336.121 Base-Backbone interact. energy: -0.726 local terms energy: -337.407284 where: bonds (distance) C4'-P energy: -55.967 bonds (distance) P-C4' energy: -59.335 flat angles C4'-P-C4' energy: -73.146 flat angles P-C4'-P energy: -59.498 tors. eta vs tors. theta energy: -89.460 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: 5 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1690.803418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.803418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.803418 (E_RNA) where: Base-Base interactions energy: -1237.881 where: short stacking energy: -489.038 Base-Backbone interact. energy: -0.303 local terms energy: -452.619162 where: bonds (distance) C4'-P energy: -78.702 bonds (distance) P-C4' energy: -74.723 flat angles C4'-P-C4' energy: -89.436 flat angles P-C4'-P energy: -64.160 tors. eta vs tors. theta energy: -145.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1573.559053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.559053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.559053 (E_RNA) where: Base-Base interactions energy: -1137.291 where: short stacking energy: -431.378 Base-Backbone interact. energy: 2.592 local terms energy: -438.859565 where: bonds (distance) C4'-P energy: -76.734 bonds (distance) P-C4' energy: -85.398 flat angles C4'-P-C4' energy: -90.852 flat angles P-C4'-P energy: -65.347 tors. eta vs tors. theta energy: -120.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1542.023598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.023598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.023598 (E_RNA) where: Base-Base interactions energy: -1109.275 where: short stacking energy: -443.066 Base-Backbone interact. energy: -0.503 local terms energy: -432.245732 where: bonds (distance) C4'-P energy: -76.748 bonds (distance) P-C4' energy: -86.987 flat angles C4'-P-C4' energy: -88.953 flat angles P-C4'-P energy: -51.047 tors. eta vs tors. theta energy: -128.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1470.605728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.605728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.605728 (E_RNA) where: Base-Base interactions energy: -1074.363 where: short stacking energy: -417.389 Base-Backbone interact. energy: -1.862 local terms energy: -394.380801 where: bonds (distance) C4'-P energy: -75.368 bonds (distance) P-C4' energy: -64.577 flat angles C4'-P-C4' energy: -86.283 flat angles P-C4'-P energy: -52.205 tors. eta vs tors. theta energy: -115.949 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: 5, replica: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1437.387036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.387036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.387036 (E_RNA) where: Base-Base interactions energy: -1033.813 where: short stacking energy: -402.392 Base-Backbone interact. energy: -0.327 local terms energy: -403.247820 where: bonds (distance) C4'-P energy: -68.320 bonds (distance) P-C4' energy: -77.778 flat angles C4'-P-C4' energy: -79.288 flat angles P-C4'-P energy: -58.883 tors. eta vs tors. theta energy: -118.978 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: 256 Temperature: 1.150000 Total energy: -1421.433854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.433854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.433854 (E_RNA) where: Base-Base interactions energy: -1037.797 where: short stacking energy: -406.680 Base-Backbone interact. energy: 2.260 local terms energy: -385.896753 where: bonds (distance) C4'-P energy: -67.369 bonds (distance) P-C4' energy: -68.637 flat angles C4'-P-C4' energy: -77.774 flat angles P-C4'-P energy: -52.100 tors. eta vs tors. theta energy: -120.016 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: 3 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1360.400805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.400805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.400805 (E_RNA) where: Base-Base interactions energy: -970.175 where: short stacking energy: -385.345 Base-Backbone interact. energy: 2.288 local terms energy: -392.514108 where: bonds (distance) C4'-P energy: -72.078 bonds (distance) P-C4' energy: -62.928 flat angles C4'-P-C4' energy: -81.236 flat angles P-C4'-P energy: -60.734 tors. eta vs tors. theta energy: -115.539 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: 8, replica: 7 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1269.062950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.062950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.062950 (E_RNA) where: Base-Base interactions energy: -915.219 where: short stacking energy: -349.870 Base-Backbone interact. energy: -1.402 local terms energy: -352.441438 where: bonds (distance) C4'-P energy: -54.562 bonds (distance) P-C4' energy: -56.619 flat angles C4'-P-C4' energy: -78.761 flat angles P-C4'-P energy: -52.042 tors. eta vs tors. theta energy: -110.458 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: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1117.140811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.140811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.140811 (E_RNA) where: Base-Base interactions energy: -806.064 where: short stacking energy: -309.642 Base-Backbone interact. energy: -0.666 local terms energy: -310.410578 where: bonds (distance) C4'-P energy: -45.582 bonds (distance) P-C4' energy: -58.258 flat angles C4'-P-C4' energy: -75.623 flat angles P-C4'-P energy: -44.952 tors. eta vs tors. theta energy: -85.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1159.100539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.100539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.100539 (E_RNA) where: Base-Base interactions energy: -846.608 where: short stacking energy: -332.759 Base-Backbone interact. energy: -0.864 local terms energy: -311.628320 where: bonds (distance) C4'-P energy: -60.414 bonds (distance) P-C4' energy: -56.817 flat angles C4'-P-C4' energy: -61.172 flat angles P-C4'-P energy: -47.806 tors. eta vs tors. theta energy: -85.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1695.246635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.246635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.246635 (E_RNA) where: Base-Base interactions energy: -1235.654 where: short stacking energy: -483.268 Base-Backbone interact. energy: 0.873 local terms energy: -460.466437 where: bonds (distance) C4'-P energy: -79.553 bonds (distance) P-C4' energy: -74.665 flat angles C4'-P-C4' energy: -90.937 flat angles P-C4'-P energy: -71.107 tors. eta vs tors. theta energy: -144.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1572.423660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.423660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.423660 (E_RNA) where: Base-Base interactions energy: -1153.823 where: short stacking energy: -427.274 Base-Backbone interact. energy: -0.608 local terms energy: -417.992182 where: bonds (distance) C4'-P energy: -75.789 bonds (distance) P-C4' energy: -75.693 flat angles C4'-P-C4' energy: -87.969 flat angles P-C4'-P energy: -53.947 tors. eta vs tors. theta energy: -124.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1534.390307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.390307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.390307 (E_RNA) where: Base-Base interactions energy: -1115.810 where: short stacking energy: -442.469 Base-Backbone interact. energy: -0.677 local terms energy: -417.903000 where: bonds (distance) C4'-P energy: -72.425 bonds (distance) P-C4' energy: -75.625 flat angles C4'-P-C4' energy: -80.680 flat angles P-C4'-P energy: -58.525 tors. eta vs tors. theta energy: -130.648 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: 6 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1471.868038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.868038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.868038 (E_RNA) where: Base-Base interactions energy: -1084.362 where: short stacking energy: -417.388 Base-Backbone interact. energy: -2.522 local terms energy: -384.983881 where: bonds (distance) C4'-P energy: -64.676 bonds (distance) P-C4' energy: -71.220 flat angles C4'-P-C4' energy: -82.594 flat angles P-C4'-P energy: -56.155 tors. eta vs tors. theta energy: -110.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1444.504521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.504521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.504521 (E_RNA) where: Base-Base interactions energy: -1039.842 where: short stacking energy: -404.907 Base-Backbone interact. energy: -1.155 local terms energy: -403.508005 where: bonds (distance) C4'-P energy: -71.549 bonds (distance) P-C4' energy: -70.088 flat angles C4'-P-C4' energy: -85.600 flat angles P-C4'-P energy: -57.403 tors. eta vs tors. theta energy: -118.869 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: 1 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1439.553658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.553658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.553658 (E_RNA) where: Base-Base interactions energy: -1029.573 where: short stacking energy: -411.884 Base-Backbone interact. energy: -1.124 local terms energy: -408.856897 where: bonds (distance) C4'-P energy: -68.851 bonds (distance) P-C4' energy: -73.287 flat angles C4'-P-C4' energy: -85.177 flat angles P-C4'-P energy: -59.774 tors. eta vs tors. theta energy: -121.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1361.478102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.478102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.478102 (E_RNA) where: Base-Base interactions energy: -983.761 where: short stacking energy: -392.063 Base-Backbone interact. energy: -0.937 local terms energy: -376.780020 where: bonds (distance) C4'-P energy: -67.403 bonds (distance) P-C4' energy: -60.560 flat angles C4'-P-C4' energy: -76.905 flat angles P-C4'-P energy: -56.901 tors. eta vs tors. theta energy: -115.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1282.856892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.856892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.856892 (E_RNA) where: Base-Base interactions energy: -912.282 where: short stacking energy: -350.276 Base-Backbone interact. energy: -0.619 local terms energy: -369.956375 where: bonds (distance) C4'-P energy: -71.972 bonds (distance) P-C4' energy: -67.936 flat angles C4'-P-C4' energy: -75.594 flat angles P-C4'-P energy: -49.356 tors. eta vs tors. theta energy: -105.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1135.312831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.312831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.312831 (E_RNA) where: Base-Base interactions energy: -824.243 where: short stacking energy: -330.229 Base-Backbone interact. energy: -0.542 local terms energy: -310.528603 where: bonds (distance) C4'-P energy: -46.726 bonds (distance) P-C4' energy: -53.240 flat angles C4'-P-C4' energy: -68.263 flat angles P-C4'-P energy: -45.749 tors. eta vs tors. theta energy: -96.550 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: 10, replica: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -1182.160997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.160997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.160997 (E_RNA) where: Base-Base interactions energy: -845.285 where: short stacking energy: -332.695 Base-Backbone interact. energy: 0.024 local terms energy: -336.900215 where: bonds (distance) C4'-P energy: -47.112 bonds (distance) P-C4' energy: -72.044 flat angles C4'-P-C4' energy: -73.575 flat angles P-C4'-P energy: -53.523 tors. eta vs tors. theta energy: -90.646 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: 5 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1699.251894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.251894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.251894 (E_RNA) where: Base-Base interactions energy: -1238.831 where: short stacking energy: -487.844 Base-Backbone interact. energy: -0.299 local terms energy: -460.121393 where: bonds (distance) C4'-P energy: -76.986 bonds (distance) P-C4' energy: -74.862 flat angles C4'-P-C4' energy: -95.072 flat angles P-C4'-P energy: -68.718 tors. eta vs tors. theta energy: -144.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1557.603531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.603531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.603531 (E_RNA) where: Base-Base interactions energy: -1145.886 where: short stacking energy: -419.532 Base-Backbone interact. energy: -1.603 local terms energy: -410.115221 where: bonds (distance) C4'-P energy: -58.561 bonds (distance) P-C4' energy: -80.450 flat angles C4'-P-C4' energy: -89.937 flat angles P-C4'-P energy: -62.487 tors. eta vs tors. theta energy: -118.680 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: 10 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1542.972756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.972756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.972756 (E_RNA) where: Base-Base interactions energy: -1113.843 where: short stacking energy: -447.270 Base-Backbone interact. energy: 0.665 local terms energy: -429.795027 where: bonds (distance) C4'-P energy: -67.245 bonds (distance) P-C4' energy: -78.525 flat angles C4'-P-C4' energy: -89.707 flat angles P-C4'-P energy: -65.236 tors. eta vs tors. theta energy: -129.082 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: 6 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1487.351558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.351558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.351558 (E_RNA) where: Base-Base interactions energy: -1092.888 where: short stacking energy: -410.677 Base-Backbone interact. energy: -0.401 local terms energy: -394.061806 where: bonds (distance) C4'-P energy: -64.016 bonds (distance) P-C4' energy: -80.789 flat angles C4'-P-C4' energy: -84.335 flat angles P-C4'-P energy: -51.448 tors. eta vs tors. theta energy: -113.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1432.013654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.013654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.013654 (E_RNA) where: Base-Base interactions energy: -1032.094 where: short stacking energy: -393.890 Base-Backbone interact. energy: 2.183 local terms energy: -402.102469 where: bonds (distance) C4'-P energy: -72.990 bonds (distance) P-C4' energy: -68.260 flat angles C4'-P-C4' energy: -83.207 flat angles P-C4'-P energy: -61.810 tors. eta vs tors. theta energy: -115.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1414.574558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.574558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.574558 (E_RNA) where: Base-Base interactions energy: -1040.288 where: short stacking energy: -404.677 Base-Backbone interact. energy: 0.340 local terms energy: -374.626375 where: bonds (distance) C4'-P energy: -69.730 bonds (distance) P-C4' energy: -61.244 flat angles C4'-P-C4' energy: -74.867 flat angles P-C4'-P energy: -48.409 tors. eta vs tors. theta energy: -120.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1359.631720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.631720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.631720 (E_RNA) where: Base-Base interactions energy: -972.798 where: short stacking energy: -383.662 Base-Backbone interact. energy: -1.179 local terms energy: -385.654959 where: bonds (distance) C4'-P energy: -70.080 bonds (distance) P-C4' energy: -65.649 flat angles C4'-P-C4' energy: -85.330 flat angles P-C4'-P energy: -52.567 tors. eta vs tors. theta energy: -112.029 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: 258 Temperature: 1.250000 Total energy: -1316.056908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.056908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.056908 (E_RNA) where: Base-Base interactions energy: -975.990 where: short stacking energy: -373.854 Base-Backbone interact. energy: -0.661 local terms energy: -339.405454 where: bonds (distance) C4'-P energy: -69.068 bonds (distance) P-C4' energy: -42.571 flat angles C4'-P-C4' energy: -65.240 flat angles P-C4'-P energy: -53.690 tors. eta vs tors. theta energy: -108.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1224.795562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.795562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.795562 (E_RNA) where: Base-Base interactions energy: -866.474 where: short stacking energy: -346.224 Base-Backbone interact. energy: -1.140 local terms energy: -357.181106 where: bonds (distance) C4'-P energy: -57.288 bonds (distance) P-C4' energy: -70.360 flat angles C4'-P-C4' energy: -76.261 flat angles P-C4'-P energy: -56.725 tors. eta vs tors. theta energy: -96.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1124.259722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.259722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.259722 (E_RNA) where: Base-Base interactions energy: -821.586 where: short stacking energy: -319.076 Base-Backbone interact. energy: 1.795 local terms energy: -304.468632 where: bonds (distance) C4'-P energy: -52.676 bonds (distance) P-C4' energy: -55.572 flat angles C4'-P-C4' energy: -69.087 flat angles P-C4'-P energy: -40.216 tors. eta vs tors. theta energy: -86.918 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: 1, replica: 5 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1684.037834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.037834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.037834 (E_RNA) where: Base-Base interactions energy: -1232.847 where: short stacking energy: -482.510 Base-Backbone interact. energy: -0.978 local terms energy: -450.213251 where: bonds (distance) C4'-P energy: -71.704 bonds (distance) P-C4' energy: -77.822 flat angles C4'-P-C4' energy: -89.248 flat angles P-C4'-P energy: -68.433 tors. eta vs tors. theta energy: -143.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1558.271562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.271562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.271562 (E_RNA) where: Base-Base interactions energy: -1123.111 where: short stacking energy: -437.965 Base-Backbone interact. energy: -0.744 local terms energy: -434.416740 where: bonds (distance) C4'-P energy: -74.986 bonds (distance) P-C4' energy: -76.417 flat angles C4'-P-C4' energy: -87.459 flat angles P-C4'-P energy: -61.558 tors. eta vs tors. theta energy: -133.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1543.224385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.224385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.224385 (E_RNA) where: Base-Base interactions energy: -1116.928 where: short stacking energy: -429.576 Base-Backbone interact. energy: 2.342 local terms energy: -428.638153 where: bonds (distance) C4'-P energy: -77.459 bonds (distance) P-C4' energy: -79.046 flat angles C4'-P-C4' energy: -86.256 flat angles P-C4'-P energy: -60.192 tors. eta vs tors. theta energy: -125.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1496.524851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.524851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.524851 (E_RNA) where: Base-Base interactions energy: -1093.226 where: short stacking energy: -417.946 Base-Backbone interact. energy: -2.597 local terms energy: -400.701674 where: bonds (distance) C4'-P energy: -66.208 bonds (distance) P-C4' energy: -76.144 flat angles C4'-P-C4' energy: -88.926 flat angles P-C4'-P energy: -51.065 tors. eta vs tors. theta energy: -118.358 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: 1 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1435.336027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.336027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.336027 (E_RNA) where: Base-Base interactions energy: -1033.808 where: short stacking energy: -413.604 Base-Backbone interact. energy: -1.050 local terms energy: -400.478171 where: bonds (distance) C4'-P energy: -66.313 bonds (distance) P-C4' energy: -67.399 flat angles C4'-P-C4' energy: -86.112 flat angles P-C4'-P energy: -59.542 tors. eta vs tors. theta energy: -121.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1408.315112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.315112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.315112 (E_RNA) where: Base-Base interactions energy: -1036.099 where: short stacking energy: -393.966 Base-Backbone interact. energy: -0.316 local terms energy: -371.900276 where: bonds (distance) C4'-P energy: -62.046 bonds (distance) P-C4' energy: -62.629 flat angles C4'-P-C4' energy: -76.423 flat angles P-C4'-P energy: -53.182 tors. eta vs tors. theta energy: -117.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1348.662887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.662887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.662887 (E_RNA) where: Base-Base interactions energy: -977.587 where: short stacking energy: -387.408 Base-Backbone interact. energy: -0.934 local terms energy: -370.141223 where: bonds (distance) C4'-P energy: -72.123 bonds (distance) P-C4' energy: -57.875 flat angles C4'-P-C4' energy: -74.953 flat angles P-C4'-P energy: -52.900 tors. eta vs tors. theta energy: -112.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1334.322250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.322250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.322250 (E_RNA) where: Base-Base interactions energy: -952.450 where: short stacking energy: -362.502 Base-Backbone interact. energy: -0.468 local terms energy: -381.403591 where: bonds (distance) C4'-P energy: -70.120 bonds (distance) P-C4' energy: -73.121 flat angles C4'-P-C4' energy: -84.230 flat angles P-C4'-P energy: -52.797 tors. eta vs tors. theta energy: -101.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1274.379803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.379803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.379803 (E_RNA) where: Base-Base interactions energy: -914.939 where: short stacking energy: -377.621 Base-Backbone interact. energy: 0.070 local terms energy: -359.510549 where: bonds (distance) C4'-P energy: -70.968 bonds (distance) P-C4' energy: -49.970 flat angles C4'-P-C4' energy: -76.968 flat angles P-C4'-P energy: -59.136 tors. eta vs tors. theta energy: -102.469 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: 8 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1102.147575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.147575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.147575 (E_RNA) where: Base-Base interactions energy: -784.603 where: short stacking energy: -309.103 Base-Backbone interact. energy: -1.539 local terms energy: -316.005448 where: bonds (distance) C4'-P energy: -50.653 bonds (distance) P-C4' energy: -65.017 flat angles C4'-P-C4' energy: -66.812 flat angles P-C4'-P energy: -48.828 tors. eta vs tors. theta energy: -84.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1688.992234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.992234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.992234 (E_RNA) where: Base-Base interactions energy: -1241.422 where: short stacking energy: -487.931 Base-Backbone interact. energy: -0.032 local terms energy: -447.538167 where: bonds (distance) C4'-P energy: -68.922 bonds (distance) P-C4' energy: -77.069 flat angles C4'-P-C4' energy: -91.451 flat angles P-C4'-P energy: -66.510 tors. eta vs tors. theta energy: -143.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1570.518782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.518782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.518782 (E_RNA) where: Base-Base interactions energy: -1135.615 where: short stacking energy: -447.441 Base-Backbone interact. energy: -0.309 local terms energy: -434.594804 where: bonds (distance) C4'-P energy: -72.060 bonds (distance) P-C4' energy: -64.929 flat angles C4'-P-C4' energy: -91.908 flat angles P-C4'-P energy: -70.375 tors. eta vs tors. theta energy: -135.323 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: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1544.485848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.485848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.485848 (E_RNA) where: Base-Base interactions energy: -1119.912 where: short stacking energy: -417.762 Base-Backbone interact. energy: -0.426 local terms energy: -424.147678 where: bonds (distance) C4'-P energy: -69.058 bonds (distance) P-C4' energy: -79.120 flat angles C4'-P-C4' energy: -93.107 flat angles P-C4'-P energy: -60.696 tors. eta vs tors. theta energy: -122.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1479.563327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.563327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.563327 (E_RNA) where: Base-Base interactions energy: -1078.238 where: short stacking energy: -403.025 Base-Backbone interact. energy: -2.263 local terms energy: -399.062141 where: bonds (distance) C4'-P energy: -77.151 bonds (distance) P-C4' energy: -67.728 flat angles C4'-P-C4' energy: -88.787 flat angles P-C4'-P energy: -50.275 tors. eta vs tors. theta energy: -115.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1438.201290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.201290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.201290 (E_RNA) where: Base-Base interactions energy: -1057.248 where: short stacking energy: -407.567 Base-Backbone interact. energy: 2.030 local terms energy: -382.984029 where: bonds (distance) C4'-P energy: -55.269 bonds (distance) P-C4' energy: -70.526 flat angles C4'-P-C4' energy: -79.957 flat angles P-C4'-P energy: -60.436 tors. eta vs tors. theta energy: -116.796 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: 1 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1377.377891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.377891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.377891 (E_RNA) where: Base-Base interactions energy: -982.523 where: short stacking energy: -381.220 Base-Backbone interact. energy: -0.968 local terms energy: -393.886376 where: bonds (distance) C4'-P energy: -68.330 bonds (distance) P-C4' energy: -70.796 flat angles C4'-P-C4' energy: -80.689 flat angles P-C4'-P energy: -56.379 tors. eta vs tors. theta energy: -117.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1359.045572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.045572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.045572 (E_RNA) where: Base-Base interactions energy: -985.705 where: short stacking energy: -386.142 Base-Backbone interact. energy: 2.647 local terms energy: -375.987329 where: bonds (distance) C4'-P energy: -60.475 bonds (distance) P-C4' energy: -70.683 flat angles C4'-P-C4' energy: -70.214 flat angles P-C4'-P energy: -65.592 tors. eta vs tors. theta energy: -109.023 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: 7 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1318.515739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.515739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.515739 (E_RNA) where: Base-Base interactions energy: -966.417 where: short stacking energy: -359.885 Base-Backbone interact. energy: -0.643 local terms energy: -351.456159 where: bonds (distance) C4'-P energy: -57.139 bonds (distance) P-C4' energy: -64.798 flat angles C4'-P-C4' energy: -74.131 flat angles P-C4'-P energy: -52.554 tors. eta vs tors. theta energy: -102.834 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: 2 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1218.626368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.626368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.626368 (E_RNA) where: Base-Base interactions energy: -895.569 where: short stacking energy: -355.033 Base-Backbone interact. energy: -1.997 local terms energy: -321.060533 where: bonds (distance) C4'-P energy: -45.759 bonds (distance) P-C4' energy: -57.827 flat angles C4'-P-C4' energy: -72.154 flat angles P-C4'-P energy: -42.886 tors. eta vs tors. theta energy: -102.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1134.804295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.804295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.804295 (E_RNA) where: Base-Base interactions energy: -826.560 where: short stacking energy: -321.198 Base-Backbone interact. energy: -0.610 local terms energy: -307.634222 where: bonds (distance) C4'-P energy: -44.769 bonds (distance) P-C4' energy: -58.109 flat angles C4'-P-C4' energy: -64.099 flat angles P-C4'-P energy: -47.979 tors. eta vs tors. theta energy: -92.678 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: 261 Temperature: 0.900000 Total energy: -1696.115324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.115324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.115324 (E_RNA) where: Base-Base interactions energy: -1243.534 where: short stacking energy: -476.841 Base-Backbone interact. energy: -0.235 local terms energy: -452.346020 where: bonds (distance) C4'-P energy: -78.838 bonds (distance) P-C4' energy: -78.707 flat angles C4'-P-C4' energy: -88.568 flat angles P-C4'-P energy: -62.040 tors. eta vs tors. theta energy: -144.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1586.961488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.961488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.961488 (E_RNA) where: Base-Base interactions energy: -1135.012 where: short stacking energy: -453.565 Base-Backbone interact. energy: -0.294 local terms energy: -451.656126 where: bonds (distance) C4'-P energy: -79.847 bonds (distance) P-C4' energy: -82.249 flat angles C4'-P-C4' energy: -90.778 flat angles P-C4'-P energy: -61.308 tors. eta vs tors. theta energy: -137.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1521.723176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.723176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.723176 (E_RNA) where: Base-Base interactions energy: -1128.573 where: short stacking energy: -427.668 Base-Backbone interact. energy: -2.250 local terms energy: -390.900801 where: bonds (distance) C4'-P energy: -68.128 bonds (distance) P-C4' energy: -73.071 flat angles C4'-P-C4' energy: -77.375 flat angles P-C4'-P energy: -53.854 tors. eta vs tors. theta energy: -118.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1474.189270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.189270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.189270 (E_RNA) where: Base-Base interactions energy: -1098.881 where: short stacking energy: -417.649 Base-Backbone interact. energy: -1.818 local terms energy: -373.490089 where: bonds (distance) C4'-P energy: -71.683 bonds (distance) P-C4' energy: -67.082 flat angles C4'-P-C4' energy: -74.218 flat angles P-C4'-P energy: -45.381 tors. eta vs tors. theta energy: -115.127 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: 4 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1448.410137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.410137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.410137 (E_RNA) where: Base-Base interactions energy: -1046.486 where: short stacking energy: -394.889 Base-Backbone interact. energy: -1.562 local terms energy: -400.362280 where: bonds (distance) C4'-P energy: -76.062 bonds (distance) P-C4' energy: -66.961 flat angles C4'-P-C4' energy: -78.902 flat angles P-C4'-P energy: -61.477 tors. eta vs tors. theta energy: -116.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1363.684259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.684259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.684259 (E_RNA) where: Base-Base interactions energy: -975.789 where: short stacking energy: -379.785 Base-Backbone interact. energy: -1.045 local terms energy: -386.850242 where: bonds (distance) C4'-P energy: -61.539 bonds (distance) P-C4' energy: -68.717 flat angles C4'-P-C4' energy: -86.169 flat angles P-C4'-P energy: -52.277 tors. eta vs tors. theta energy: -118.148 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: 1 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1371.443685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.443685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.443685 (E_RNA) where: Base-Base interactions energy: -1003.384 where: short stacking energy: -393.281 Base-Backbone interact. energy: -1.590 local terms energy: -366.469369 where: bonds (distance) C4'-P energy: -56.852 bonds (distance) P-C4' energy: -61.901 flat angles C4'-P-C4' energy: -80.232 flat angles P-C4'-P energy: -52.344 tors. eta vs tors. theta energy: -115.140 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: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1301.067473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.067473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.067473 (E_RNA) where: Base-Base interactions energy: -933.333 where: short stacking energy: -362.356 Base-Backbone interact. energy: 0.833 local terms energy: -368.566866 where: bonds (distance) C4'-P energy: -75.304 bonds (distance) P-C4' energy: -60.817 flat angles C4'-P-C4' energy: -82.451 flat angles P-C4'-P energy: -45.219 tors. eta vs tors. theta energy: -104.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1261.302752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.302752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.302752 (E_RNA) where: Base-Base interactions energy: -918.490 where: short stacking energy: -367.457 Base-Backbone interact. energy: -0.544 local terms energy: -342.268551 where: bonds (distance) C4'-P energy: -63.619 bonds (distance) P-C4' energy: -51.534 flat angles C4'-P-C4' energy: -75.631 flat angles P-C4'-P energy: -50.794 tors. eta vs tors. theta energy: -100.691 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: 10, replica: 8 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1133.634906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.634906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.634906 (E_RNA) where: Base-Base interactions energy: -816.438 where: short stacking energy: -328.466 Base-Backbone interact. energy: 4.023 local terms energy: -321.219888 where: bonds (distance) C4'-P energy: -68.699 bonds (distance) P-C4' energy: -49.270 flat angles C4'-P-C4' energy: -76.019 flat angles P-C4'-P energy: -29.336 tors. eta vs tors. theta energy: -97.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1700.404041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.404041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.404041 (E_RNA) where: Base-Base interactions energy: -1245.573 where: short stacking energy: -487.804 Base-Backbone interact. energy: 1.880 local terms energy: -456.710644 where: bonds (distance) C4'-P energy: -67.985 bonds (distance) P-C4' energy: -72.432 flat angles C4'-P-C4' energy: -95.044 flat angles P-C4'-P energy: -73.628 tors. eta vs tors. theta energy: -147.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1575.908588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.908588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.908588 (E_RNA) where: Base-Base interactions energy: -1125.406 where: short stacking energy: -435.380 Base-Backbone interact. energy: 0.006 local terms energy: -450.507833 where: bonds (distance) C4'-P energy: -78.345 bonds (distance) P-C4' energy: -82.878 flat angles C4'-P-C4' energy: -87.602 flat angles P-C4'-P energy: -69.365 tors. eta vs tors. theta energy: -132.318 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: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1526.471952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.471952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.471952 (E_RNA) where: Base-Base interactions energy: -1104.149 where: short stacking energy: -418.124 Base-Backbone interact. energy: -1.329 local terms energy: -420.993814 where: bonds (distance) C4'-P energy: -76.547 bonds (distance) P-C4' energy: -78.396 flat angles C4'-P-C4' energy: -89.455 flat angles P-C4'-P energy: -56.054 tors. eta vs tors. theta energy: -120.543 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: 4, replica: 6 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1484.269525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.269525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.269525 (E_RNA) where: Base-Base interactions energy: -1093.551 where: short stacking energy: -419.734 Base-Backbone interact. energy: -0.269 local terms energy: -390.449674 where: bonds (distance) C4'-P energy: -69.205 bonds (distance) P-C4' energy: -69.601 flat angles C4'-P-C4' energy: -81.835 flat angles P-C4'-P energy: -53.717 tors. eta vs tors. theta energy: -116.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1446.592716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.592716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.592716 (E_RNA) where: Base-Base interactions energy: -1045.232 where: short stacking energy: -403.829 Base-Backbone interact. energy: -0.417 local terms energy: -400.944026 where: bonds (distance) C4'-P energy: -72.033 bonds (distance) P-C4' energy: -71.190 flat angles C4'-P-C4' energy: -80.617 flat angles P-C4'-P energy: -61.879 tors. eta vs tors. theta energy: -115.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1376.977833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.977833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.977833 (E_RNA) where: Base-Base interactions energy: -1001.610 where: short stacking energy: -407.139 Base-Backbone interact. energy: -0.464 local terms energy: -374.903823 where: bonds (distance) C4'-P energy: -70.364 bonds (distance) P-C4' energy: -45.487 flat angles C4'-P-C4' energy: -81.678 flat angles P-C4'-P energy: -58.425 tors. eta vs tors. theta energy: -118.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1389.449685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.449685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.449685 (E_RNA) where: Base-Base interactions energy: -1013.543 where: short stacking energy: -398.982 Base-Backbone interact. energy: 0.187 local terms energy: -376.093842 where: bonds (distance) C4'-P energy: -60.553 bonds (distance) P-C4' energy: -71.571 flat angles C4'-P-C4' energy: -83.195 flat angles P-C4'-P energy: -44.574 tors. eta vs tors. theta energy: -116.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1298.534767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.534767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.534767 (E_RNA) where: Base-Base interactions energy: -945.865 where: short stacking energy: -346.857 Base-Backbone interact. energy: -0.991 local terms energy: -351.678959 where: bonds (distance) C4'-P energy: -55.390 bonds (distance) P-C4' energy: -52.187 flat angles C4'-P-C4' energy: -83.518 flat angles P-C4'-P energy: -56.139 tors. eta vs tors. theta energy: -104.444 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: 9, replica: 2 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1244.602549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.602549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.602549 (E_RNA) where: Base-Base interactions energy: -898.668 where: short stacking energy: -356.261 Base-Backbone interact. energy: -0.975 local terms energy: -344.959712 where: bonds (distance) C4'-P energy: -56.422 bonds (distance) P-C4' energy: -60.447 flat angles C4'-P-C4' energy: -77.786 flat angles P-C4'-P energy: -47.635 tors. eta vs tors. theta energy: -102.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1174.495860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.495860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.495860 (E_RNA) where: Base-Base interactions energy: -841.150 where: short stacking energy: -329.222 Base-Backbone interact. energy: -0.629 local terms energy: -332.716535 where: bonds (distance) C4'-P energy: -60.713 bonds (distance) P-C4' energy: -55.554 flat angles C4'-P-C4' energy: -71.334 flat angles P-C4'-P energy: -46.501 tors. eta vs tors. theta energy: -98.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1713.969481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.969481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.969481 (E_RNA) where: Base-Base interactions energy: -1253.588 where: short stacking energy: -491.951 Base-Backbone interact. energy: 0.118 local terms energy: -460.498939 where: bonds (distance) C4'-P energy: -82.742 bonds (distance) P-C4' energy: -68.363 flat angles C4'-P-C4' energy: -94.235 flat angles P-C4'-P energy: -62.919 tors. eta vs tors. theta energy: -152.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1555.615609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.615609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.615609 (E_RNA) where: Base-Base interactions energy: -1128.448 where: short stacking energy: -414.655 Base-Backbone interact. energy: -1.575 local terms energy: -425.592700 where: bonds (distance) C4'-P energy: -75.051 bonds (distance) P-C4' energy: -79.562 flat angles C4'-P-C4' energy: -86.932 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -114.821 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: 3, replica: 10 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1541.588076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.588076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.588076 (E_RNA) where: Base-Base interactions energy: -1112.750 where: short stacking energy: -438.379 Base-Backbone interact. energy: 0.803 local terms energy: -429.640891 where: bonds (distance) C4'-P energy: -70.721 bonds (distance) P-C4' energy: -76.357 flat angles C4'-P-C4' energy: -83.419 flat angles P-C4'-P energy: -61.645 tors. eta vs tors. theta energy: -137.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1496.208367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.208367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.208367 (E_RNA) where: Base-Base interactions energy: -1085.016 where: short stacking energy: -416.792 Base-Backbone interact. energy: -0.507 local terms energy: -410.684959 where: bonds (distance) C4'-P energy: -63.035 bonds (distance) P-C4' energy: -82.754 flat angles C4'-P-C4' energy: -83.997 flat angles P-C4'-P energy: -61.390 tors. eta vs tors. theta energy: -119.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1449.692425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.692425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.692425 (E_RNA) where: Base-Base interactions energy: -1058.333 where: short stacking energy: -407.036 Base-Backbone interact. energy: -0.455 local terms energy: -390.903601 where: bonds (distance) C4'-P energy: -61.393 bonds (distance) P-C4' energy: -68.431 flat angles C4'-P-C4' energy: -86.338 flat angles P-C4'-P energy: -58.451 tors. eta vs tors. theta energy: -116.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1363.752471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.752471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.752471 (E_RNA) where: Base-Base interactions energy: -991.086 where: short stacking energy: -386.198 Base-Backbone interact. energy: 1.560 local terms energy: -374.226776 where: bonds (distance) C4'-P energy: -60.724 bonds (distance) P-C4' energy: -67.811 flat angles C4'-P-C4' energy: -70.544 flat angles P-C4'-P energy: -66.106 tors. eta vs tors. theta energy: -109.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1343.720235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.720235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.720235 (E_RNA) where: Base-Base interactions energy: -976.887 where: short stacking energy: -382.546 Base-Backbone interact. energy: -0.205 local terms energy: -366.628811 where: bonds (distance) C4'-P energy: -61.280 bonds (distance) P-C4' energy: -67.801 flat angles C4'-P-C4' energy: -68.828 flat angles P-C4'-P energy: -54.128 tors. eta vs tors. theta energy: -114.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1304.588427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.588427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.588427 (E_RNA) where: Base-Base interactions energy: -953.131 where: short stacking energy: -370.172 Base-Backbone interact. energy: 0.856 local terms energy: -352.313385 where: bonds (distance) C4'-P energy: -49.401 bonds (distance) P-C4' energy: -71.413 flat angles C4'-P-C4' energy: -81.124 flat angles P-C4'-P energy: -43.174 tors. eta vs tors. theta energy: -107.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1269.575813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.575813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.575813 (E_RNA) where: Base-Base interactions energy: -901.111 where: short stacking energy: -358.500 Base-Backbone interact. energy: -1.367 local terms energy: -367.097669 where: bonds (distance) C4'-P energy: -71.551 bonds (distance) P-C4' energy: -69.413 flat angles C4'-P-C4' energy: -72.900 flat angles P-C4'-P energy: -41.017 tors. eta vs tors. theta energy: -112.217 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: 10, replica: 8 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -1185.828117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.828117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.828117 (E_RNA) where: Base-Base interactions energy: -839.567 where: short stacking energy: -333.712 Base-Backbone interact. energy: 3.421 local terms energy: -349.681412 where: bonds (distance) C4'-P energy: -55.358 bonds (distance) P-C4' energy: -50.730 flat angles C4'-P-C4' energy: -88.220 flat angles P-C4'-P energy: -58.602 tors. eta vs tors. theta energy: -96.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1712.380475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.380475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.380475 (E_RNA) where: Base-Base interactions energy: -1244.210 where: short stacking energy: -484.064 Base-Backbone interact. energy: -0.372 local terms energy: -467.798606 where: bonds (distance) C4'-P energy: -74.169 bonds (distance) P-C4' energy: -86.094 flat angles C4'-P-C4' energy: -95.974 flat angles P-C4'-P energy: -64.776 tors. eta vs tors. theta energy: -146.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1575.487708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.487708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.487708 (E_RNA) where: Base-Base interactions energy: -1155.689 where: short stacking energy: -435.104 Base-Backbone interact. energy: -1.411 local terms energy: -418.387560 where: bonds (distance) C4'-P energy: -74.034 bonds (distance) P-C4' energy: -77.847 flat angles C4'-P-C4' energy: -89.612 flat angles P-C4'-P energy: -58.838 tors. eta vs tors. theta energy: -118.056 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: 3, replica: 10 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1523.168605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.168605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.168605 (E_RNA) where: Base-Base interactions energy: -1118.984 where: short stacking energy: -434.045 Base-Backbone interact. energy: -3.196 local terms energy: -400.989129 where: bonds (distance) C4'-P energy: -70.019 bonds (distance) P-C4' energy: -68.597 flat angles C4'-P-C4' energy: -88.594 flat angles P-C4'-P energy: -49.951 tors. eta vs tors. theta energy: -123.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1480.495083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.495083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.495083 (E_RNA) where: Base-Base interactions energy: -1085.219 where: short stacking energy: -426.128 Base-Backbone interact. energy: -1.942 local terms energy: -393.333982 where: bonds (distance) C4'-P energy: -67.894 bonds (distance) P-C4' energy: -72.161 flat angles C4'-P-C4' energy: -80.411 flat angles P-C4'-P energy: -58.291 tors. eta vs tors. theta energy: -114.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1400.221808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.221808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.221808 (E_RNA) where: Base-Base interactions energy: -1015.301 where: short stacking energy: -404.433 Base-Backbone interact. energy: -0.174 local terms energy: -384.746239 where: bonds (distance) C4'-P energy: -77.851 bonds (distance) P-C4' energy: -63.778 flat angles C4'-P-C4' energy: -74.977 flat angles P-C4'-P energy: -54.680 tors. eta vs tors. theta energy: -113.461 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: 264 Temperature: 1.150000 Total energy: -1421.165575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.165575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.165575 (E_RNA) where: Base-Base interactions energy: -1019.154 where: short stacking energy: -386.832 Base-Backbone interact. energy: 0.242 local terms energy: -402.253905 where: bonds (distance) C4'-P energy: -72.555 bonds (distance) P-C4' energy: -74.356 flat angles C4'-P-C4' energy: -71.646 flat angles P-C4'-P energy: -59.269 tors. eta vs tors. theta energy: -124.428 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: 7, replica: 7 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1335.191775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.191775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.191775 (E_RNA) where: Base-Base interactions energy: -963.669 where: short stacking energy: -363.922 Base-Backbone interact. energy: 4.446 local terms energy: -375.968358 where: bonds (distance) C4'-P energy: -54.609 bonds (distance) P-C4' energy: -79.867 flat angles C4'-P-C4' energy: -80.172 flat angles P-C4'-P energy: -53.423 tors. eta vs tors. theta energy: -107.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1324.180377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.180377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.180377 (E_RNA) where: Base-Base interactions energy: -967.616 where: short stacking energy: -386.958 Base-Backbone interact. energy: -1.295 local terms energy: -355.269890 where: bonds (distance) C4'-P energy: -59.653 bonds (distance) P-C4' energy: -62.141 flat angles C4'-P-C4' energy: -77.782 flat angles P-C4'-P energy: -45.280 tors. eta vs tors. theta energy: -110.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1278.994070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.994070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.994070 (E_RNA) where: Base-Base interactions energy: -917.694 where: short stacking energy: -368.530 Base-Backbone interact. energy: 5.564 local terms energy: -366.864586 where: bonds (distance) C4'-P energy: -63.755 bonds (distance) P-C4' energy: -68.807 flat angles C4'-P-C4' energy: -75.442 flat angles P-C4'-P energy: -48.321 tors. eta vs tors. theta energy: -110.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -1254.398464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.398464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.398464 (E_RNA) where: Base-Base interactions energy: -927.973 where: short stacking energy: -355.979 Base-Backbone interact. energy: -0.389 local terms energy: -326.036747 where: bonds (distance) C4'-P energy: -59.940 bonds (distance) P-C4' energy: -53.042 flat angles C4'-P-C4' energy: -80.685 flat angles P-C4'-P energy: -33.870 tors. eta vs tors. theta energy: -98.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1709.322023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.322023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.322023 (E_RNA) where: Base-Base interactions energy: -1238.942 where: short stacking energy: -487.769 Base-Backbone interact. energy: -0.117 local terms energy: -470.263223 where: bonds (distance) C4'-P energy: -74.033 bonds (distance) P-C4' energy: -83.570 flat angles C4'-P-C4' energy: -95.365 flat angles P-C4'-P energy: -72.708 tors. eta vs tors. theta energy: -144.588 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: 265 Temperature: 0.950000 Total energy: -1569.931692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.931692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.931692 (E_RNA) where: Base-Base interactions energy: -1146.456 where: short stacking energy: -430.380 Base-Backbone interact. energy: -1.837 local terms energy: -421.639629 where: bonds (distance) C4'-P energy: -69.187 bonds (distance) P-C4' energy: -77.610 flat angles C4'-P-C4' energy: -89.080 flat angles P-C4'-P energy: -61.228 tors. eta vs tors. theta energy: -124.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1532.657270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.657270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.657270 (E_RNA) where: Base-Base interactions energy: -1105.917 where: short stacking energy: -437.994 Base-Backbone interact. energy: -0.244 local terms energy: -426.496059 where: bonds (distance) C4'-P energy: -65.216 bonds (distance) P-C4' energy: -72.276 flat angles C4'-P-C4' energy: -87.167 flat angles P-C4'-P energy: -69.309 tors. eta vs tors. theta energy: -132.529 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: 265 Temperature: 1.050000 Total energy: -1443.154993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.154993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.154993 (E_RNA) where: Base-Base interactions energy: -1039.962 where: short stacking energy: -411.567 Base-Backbone interact. energy: 1.051 local terms energy: -404.244014 where: bonds (distance) C4'-P energy: -72.122 bonds (distance) P-C4' energy: -70.854 flat angles C4'-P-C4' energy: -85.831 flat angles P-C4'-P energy: -60.811 tors. eta vs tors. theta energy: -114.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1430.870733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.870733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.870733 (E_RNA) where: Base-Base interactions energy: -1041.427 where: short stacking energy: -402.281 Base-Backbone interact. energy: -1.562 local terms energy: -387.881360 where: bonds (distance) C4'-P energy: -67.743 bonds (distance) P-C4' energy: -71.854 flat angles C4'-P-C4' energy: -75.761 flat angles P-C4'-P energy: -58.014 tors. eta vs tors. theta energy: -114.510 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: 6, replica: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1424.593230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.593230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.593230 (E_RNA) where: Base-Base interactions energy: -1030.571 where: short stacking energy: -401.652 Base-Backbone interact. energy: 0.327 local terms energy: -394.349044 where: bonds (distance) C4'-P energy: -74.603 bonds (distance) P-C4' energy: -69.354 flat angles C4'-P-C4' energy: -77.888 flat angles P-C4'-P energy: -53.833 tors. eta vs tors. theta energy: -118.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1330.686107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.686107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.686107 (E_RNA) where: Base-Base interactions energy: -962.114 where: short stacking energy: -354.676 Base-Backbone interact. energy: 5.169 local terms energy: -373.740851 where: bonds (distance) C4'-P energy: -63.173 bonds (distance) P-C4' energy: -74.136 flat angles C4'-P-C4' energy: -78.067 flat angles P-C4'-P energy: -50.877 tors. eta vs tors. theta energy: -107.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1318.393745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.393745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.393745 (E_RNA) where: Base-Base interactions energy: -955.152 where: short stacking energy: -382.040 Base-Backbone interact. energy: -1.536 local terms energy: -361.705502 where: bonds (distance) C4'-P energy: -52.369 bonds (distance) P-C4' energy: -58.561 flat angles C4'-P-C4' energy: -79.884 flat angles P-C4'-P energy: -51.134 tors. eta vs tors. theta energy: -119.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1265.563344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.563344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.563344 (E_RNA) where: Base-Base interactions energy: -911.217 where: short stacking energy: -354.254 Base-Backbone interact. energy: 3.128 local terms energy: -357.474683 where: bonds (distance) C4'-P energy: -67.163 bonds (distance) P-C4' energy: -68.516 flat angles C4'-P-C4' energy: -71.834 flat angles P-C4'-P energy: -48.767 tors. eta vs tors. theta energy: -101.195 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: 8 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1207.500428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.500428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.500428 (E_RNA) where: Base-Base interactions energy: -860.458 where: short stacking energy: -338.235 Base-Backbone interact. energy: -1.194 local terms energy: -345.848471 where: bonds (distance) C4'-P energy: -65.694 bonds (distance) P-C4' energy: -61.262 flat angles C4'-P-C4' energy: -68.078 flat angles P-C4'-P energy: -50.999 tors. eta vs tors. theta energy: -99.815 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: 1, replica: 5 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1721.838862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.838862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.838862 (E_RNA) where: Base-Base interactions energy: -1253.487 where: short stacking energy: -488.977 Base-Backbone interact. energy: -0.816 local terms energy: -467.535747 where: bonds (distance) C4'-P energy: -78.498 bonds (distance) P-C4' energy: -71.511 flat angles C4'-P-C4' energy: -96.310 flat angles P-C4'-P energy: -70.339 tors. eta vs tors. theta energy: -150.878 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: 9 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1561.527080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.527080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.527080 (E_RNA) where: Base-Base interactions energy: -1154.111 where: short stacking energy: -437.541 Base-Backbone interact. energy: 2.115 local terms energy: -409.530760 where: bonds (distance) C4'-P energy: -75.387 bonds (distance) P-C4' energy: -63.286 flat angles C4'-P-C4' energy: -84.526 flat angles P-C4'-P energy: -56.406 tors. eta vs tors. theta energy: -129.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1535.388090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.388090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.388090 (E_RNA) where: Base-Base interactions energy: -1120.403 where: short stacking energy: -444.197 Base-Backbone interact. energy: 0.088 local terms energy: -415.073285 where: bonds (distance) C4'-P energy: -71.244 bonds (distance) P-C4' energy: -66.999 flat angles C4'-P-C4' energy: -89.923 flat angles P-C4'-P energy: -54.270 tors. eta vs tors. theta energy: -132.637 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: 4, replica: 1 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1449.413683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.413683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.413683 (E_RNA) where: Base-Base interactions energy: -1044.969 where: short stacking energy: -412.341 Base-Backbone interact. energy: -0.519 local terms energy: -403.925231 where: bonds (distance) C4'-P energy: -75.220 bonds (distance) P-C4' energy: -67.987 flat angles C4'-P-C4' energy: -88.687 flat angles P-C4'-P energy: -48.899 tors. eta vs tors. theta energy: -123.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1443.335474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.335474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.335474 (E_RNA) where: Base-Base interactions energy: -1050.249 where: short stacking energy: -399.286 Base-Backbone interact. energy: -1.013 local terms energy: -392.073629 where: bonds (distance) C4'-P energy: -73.195 bonds (distance) P-C4' energy: -59.676 flat angles C4'-P-C4' energy: -88.373 flat angles P-C4'-P energy: -55.240 tors. eta vs tors. theta energy: -115.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1414.741107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.741107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.741107 (E_RNA) where: Base-Base interactions energy: -1029.715 where: short stacking energy: -395.866 Base-Backbone interact. energy: -1.154 local terms energy: -383.871563 where: bonds (distance) C4'-P energy: -69.959 bonds (distance) P-C4' energy: -59.074 flat angles C4'-P-C4' energy: -82.728 flat angles P-C4'-P energy: -56.121 tors. eta vs tors. theta energy: -115.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1292.775951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.775951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.775951 (E_RNA) where: Base-Base interactions energy: -942.044 where: short stacking energy: -364.480 Base-Backbone interact. energy: 3.061 local terms energy: -353.792914 where: bonds (distance) C4'-P energy: -62.323 bonds (distance) P-C4' energy: -61.032 flat angles C4'-P-C4' energy: -78.417 flat angles P-C4'-P energy: -46.136 tors. eta vs tors. theta energy: -105.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1285.124258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.124258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.124258 (E_RNA) where: Base-Base interactions energy: -922.241 where: short stacking energy: -368.902 Base-Backbone interact. energy: -0.887 local terms energy: -361.996458 where: bonds (distance) C4'-P energy: -63.917 bonds (distance) P-C4' energy: -61.894 flat angles C4'-P-C4' energy: -74.491 flat angles P-C4'-P energy: -52.175 tors. eta vs tors. theta energy: -109.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1284.821478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.821478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.821478 (E_RNA) where: Base-Base interactions energy: -934.727 where: short stacking energy: -355.550 Base-Backbone interact. energy: -0.585 local terms energy: -349.509979 where: bonds (distance) C4'-P energy: -59.415 bonds (distance) P-C4' energy: -65.322 flat angles C4'-P-C4' energy: -76.358 flat angles P-C4'-P energy: -44.981 tors. eta vs tors. theta energy: -103.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -1210.616233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.616233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.616233 (E_RNA) where: Base-Base interactions energy: -884.142 where: short stacking energy: -330.571 Base-Backbone interact. energy: 0.173 local terms energy: -326.647290 where: bonds (distance) C4'-P energy: -49.052 bonds (distance) P-C4' energy: -66.193 flat angles C4'-P-C4' energy: -70.574 flat angles P-C4'-P energy: -47.618 tors. eta vs tors. theta energy: -93.210 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: 5 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1717.196141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.196141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.196141 (E_RNA) where: Base-Base interactions energy: -1248.295 where: short stacking energy: -476.667 Base-Backbone interact. energy: -0.114 local terms energy: -468.787338 where: bonds (distance) C4'-P energy: -77.509 bonds (distance) P-C4' energy: -74.722 flat angles C4'-P-C4' energy: -95.644 flat angles P-C4'-P energy: -72.819 tors. eta vs tors. theta energy: -148.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1583.298972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.298972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.298972 (E_RNA) where: Base-Base interactions energy: -1156.839 where: short stacking energy: -437.994 Base-Backbone interact. energy: -1.825 local terms energy: -424.634974 where: bonds (distance) C4'-P energy: -76.073 bonds (distance) P-C4' energy: -77.013 flat angles C4'-P-C4' energy: -88.435 flat angles P-C4'-P energy: -63.364 tors. eta vs tors. theta energy: -119.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1532.271821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.271821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.271821 (E_RNA) where: Base-Base interactions energy: -1109.155 where: short stacking energy: -432.505 Base-Backbone interact. energy: 0.579 local terms energy: -423.695904 where: bonds (distance) C4'-P energy: -69.773 bonds (distance) P-C4' energy: -66.050 flat angles C4'-P-C4' energy: -90.597 flat angles P-C4'-P energy: -69.966 tors. eta vs tors. theta energy: -127.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1477.327168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.327168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.327168 (E_RNA) where: Base-Base interactions energy: -1082.793 where: short stacking energy: -407.528 Base-Backbone interact. energy: -1.324 local terms energy: -393.210441 where: bonds (distance) C4'-P energy: -71.522 bonds (distance) P-C4' energy: -70.368 flat angles C4'-P-C4' energy: -78.037 flat angles P-C4'-P energy: -58.180 tors. eta vs tors. theta energy: -115.103 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: 1 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1445.047112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.047112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.047112 (E_RNA) where: Base-Base interactions energy: -1060.537 where: short stacking energy: -407.249 Base-Backbone interact. energy: -1.721 local terms energy: -382.789058 where: bonds (distance) C4'-P energy: -69.914 bonds (distance) P-C4' energy: -70.060 flat angles C4'-P-C4' energy: -74.763 flat angles P-C4'-P energy: -49.776 tors. eta vs tors. theta energy: -118.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1411.924848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.924848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.924848 (E_RNA) where: Base-Base interactions energy: -1024.263 where: short stacking energy: -400.267 Base-Backbone interact. energy: -0.583 local terms energy: -387.078696 where: bonds (distance) C4'-P energy: -66.378 bonds (distance) P-C4' energy: -73.978 flat angles C4'-P-C4' energy: -76.173 flat angles P-C4'-P energy: -52.484 tors. eta vs tors. theta energy: -118.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1353.242758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.242758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.242758 (E_RNA) where: Base-Base interactions energy: -967.261 where: short stacking energy: -357.397 Base-Backbone interact. energy: -0.777 local terms energy: -385.204708 where: bonds (distance) C4'-P energy: -64.334 bonds (distance) P-C4' energy: -76.698 flat angles C4'-P-C4' energy: -83.243 flat angles P-C4'-P energy: -55.692 tors. eta vs tors. theta energy: -105.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1314.952419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.952419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.952419 (E_RNA) where: Base-Base interactions energy: -954.774 where: short stacking energy: -388.703 Base-Backbone interact. energy: -0.979 local terms energy: -359.198670 where: bonds (distance) C4'-P energy: -60.608 bonds (distance) P-C4' energy: -59.324 flat angles C4'-P-C4' energy: -73.413 flat angles P-C4'-P energy: -43.897 tors. eta vs tors. theta energy: -121.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1259.098197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.098197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.098197 (E_RNA) where: Base-Base interactions energy: -909.930 where: short stacking energy: -348.191 Base-Backbone interact. energy: -2.180 local terms energy: -346.987953 where: bonds (distance) C4'-P energy: -45.409 bonds (distance) P-C4' energy: -71.258 flat angles C4'-P-C4' energy: -72.829 flat angles P-C4'-P energy: -55.753 tors. eta vs tors. theta energy: -101.739 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: 10, replica: 8 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1247.724255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.724255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.724255 (E_RNA) where: Base-Base interactions energy: -912.990 where: short stacking energy: -346.210 Base-Backbone interact. energy: -0.504 local terms energy: -334.230264 where: bonds (distance) C4'-P energy: -65.953 bonds (distance) P-C4' energy: -47.527 flat angles C4'-P-C4' energy: -70.465 flat angles P-C4'-P energy: -49.084 tors. eta vs tors. theta energy: -101.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1702.907204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.907204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.907204 (E_RNA) where: Base-Base interactions energy: -1239.482 where: short stacking energy: -478.497 Base-Backbone interact. energy: -0.075 local terms energy: -463.350332 where: bonds (distance) C4'-P energy: -71.314 bonds (distance) P-C4' energy: -82.897 flat angles C4'-P-C4' energy: -91.317 flat angles P-C4'-P energy: -65.464 tors. eta vs tors. theta energy: -152.358 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: 9 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1573.215066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.215066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.215066 (E_RNA) where: Base-Base interactions energy: -1148.529 where: short stacking energy: -429.947 Base-Backbone interact. energy: -0.626 local terms energy: -424.060261 where: bonds (distance) C4'-P energy: -73.436 bonds (distance) P-C4' energy: -72.161 flat angles C4'-P-C4' energy: -94.951 flat angles P-C4'-P energy: -58.711 tors. eta vs tors. theta energy: -124.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1504.935025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.935025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.935025 (E_RNA) where: Base-Base interactions energy: -1102.762 where: short stacking energy: -415.897 Base-Backbone interact. energy: -0.385 local terms energy: -401.788623 where: bonds (distance) C4'-P energy: -76.248 bonds (distance) P-C4' energy: -66.157 flat angles C4'-P-C4' energy: -85.774 flat angles P-C4'-P energy: -56.685 tors. eta vs tors. theta energy: -116.925 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: 10 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1522.227027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.227027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.227027 (E_RNA) where: Base-Base interactions energy: -1103.567 where: short stacking energy: -430.194 Base-Backbone interact. energy: -0.628 local terms energy: -418.032754 where: bonds (distance) C4'-P energy: -74.659 bonds (distance) P-C4' energy: -76.855 flat angles C4'-P-C4' energy: -81.188 flat angles P-C4'-P energy: -56.227 tors. eta vs tors. theta energy: -129.103 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: 1 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1463.051346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.051346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.051346 (E_RNA) where: Base-Base interactions energy: -1080.533 where: short stacking energy: -406.960 Base-Backbone interact. energy: 1.566 local terms energy: -384.084378 where: bonds (distance) C4'-P energy: -61.661 bonds (distance) P-C4' energy: -65.748 flat angles C4'-P-C4' energy: -82.607 flat angles P-C4'-P energy: -61.837 tors. eta vs tors. theta energy: -112.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1416.452017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.452017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.452017 (E_RNA) where: Base-Base interactions energy: -1014.290 where: short stacking energy: -398.739 Base-Backbone interact. energy: -0.015 local terms energy: -402.147055 where: bonds (distance) C4'-P energy: -73.948 bonds (distance) P-C4' energy: -72.021 flat angles C4'-P-C4' energy: -82.392 flat angles P-C4'-P energy: -54.460 tors. eta vs tors. theta energy: -119.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1326.774819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.774819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.774819 (E_RNA) where: Base-Base interactions energy: -940.979 where: short stacking energy: -392.085 Base-Backbone interact. energy: -1.936 local terms energy: -383.860005 where: bonds (distance) C4'-P energy: -66.011 bonds (distance) P-C4' energy: -67.244 flat angles C4'-P-C4' energy: -84.788 flat angles P-C4'-P energy: -55.359 tors. eta vs tors. theta energy: -110.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1312.539256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.539256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.539256 (E_RNA) where: Base-Base interactions energy: -959.146 where: short stacking energy: -368.362 Base-Backbone interact. energy: 0.012 local terms energy: -353.405518 where: bonds (distance) C4'-P energy: -55.815 bonds (distance) P-C4' energy: -69.618 flat angles C4'-P-C4' energy: -80.186 flat angles P-C4'-P energy: -39.248 tors. eta vs tors. theta energy: -108.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1247.102204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.102204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.102204 (E_RNA) where: Base-Base interactions energy: -895.556 where: short stacking energy: -355.423 Base-Backbone interact. energy: 2.814 local terms energy: -354.359810 where: bonds (distance) C4'-P energy: -63.207 bonds (distance) P-C4' energy: -65.413 flat angles C4'-P-C4' energy: -73.903 flat angles P-C4'-P energy: -55.520 tors. eta vs tors. theta energy: -96.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -1229.642537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.642537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.642537 (E_RNA) where: Base-Base interactions energy: -895.232 where: short stacking energy: -346.711 Base-Backbone interact. energy: 3.084 local terms energy: -337.494650 where: bonds (distance) C4'-P energy: -65.805 bonds (distance) P-C4' energy: -63.271 flat angles C4'-P-C4' energy: -62.585 flat angles P-C4'-P energy: -47.650 tors. eta vs tors. theta energy: -98.183 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: 5 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1716.427254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.427254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.427254 (E_RNA) where: Base-Base interactions energy: -1252.031 where: short stacking energy: -492.095 Base-Backbone interact. energy: -0.084 local terms energy: -464.312501 where: bonds (distance) C4'-P energy: -77.701 bonds (distance) P-C4' energy: -78.318 flat angles C4'-P-C4' energy: -94.030 flat angles P-C4'-P energy: -63.431 tors. eta vs tors. theta energy: -150.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1586.461794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.461794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.461794 (E_RNA) where: Base-Base interactions energy: -1169.996 where: short stacking energy: -433.658 Base-Backbone interact. energy: 2.040 local terms energy: -418.505932 where: bonds (distance) C4'-P energy: -73.838 bonds (distance) P-C4' energy: -77.231 flat angles C4'-P-C4' energy: -86.015 flat angles P-C4'-P energy: -61.107 tors. eta vs tors. theta energy: -120.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1498.379909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.379909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.379909 (E_RNA) where: Base-Base interactions energy: -1101.431 where: short stacking energy: -420.548 Base-Backbone interact. energy: -0.874 local terms energy: -396.074919 where: bonds (distance) C4'-P energy: -60.648 bonds (distance) P-C4' energy: -78.125 flat angles C4'-P-C4' energy: -80.388 flat angles P-C4'-P energy: -61.552 tors. eta vs tors. theta energy: -115.362 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: 10 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1520.151853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.151853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.151853 (E_RNA) where: Base-Base interactions energy: -1093.108 where: short stacking energy: -425.068 Base-Backbone interact. energy: -0.442 local terms energy: -426.601816 where: bonds (distance) C4'-P energy: -68.892 bonds (distance) P-C4' energy: -72.059 flat angles C4'-P-C4' energy: -90.187 flat angles P-C4'-P energy: -68.989 tors. eta vs tors. theta energy: -126.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1440.093247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.093247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.093247 (E_RNA) where: Base-Base interactions energy: -1048.789 where: short stacking energy: -398.691 Base-Backbone interact. energy: -0.865 local terms energy: -390.439546 where: bonds (distance) C4'-P energy: -63.695 bonds (distance) P-C4' energy: -71.087 flat angles C4'-P-C4' energy: -88.020 flat angles P-C4'-P energy: -55.154 tors. eta vs tors. theta energy: -112.484 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: 6, replica: 4 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1414.473392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.473392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.473392 (E_RNA) where: Base-Base interactions energy: -1034.809 where: short stacking energy: -402.740 Base-Backbone interact. energy: -0.146 local terms energy: -379.518059 where: bonds (distance) C4'-P energy: -57.328 bonds (distance) P-C4' energy: -71.639 flat angles C4'-P-C4' energy: -79.159 flat angles P-C4'-P energy: -54.923 tors. eta vs tors. theta energy: -116.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1327.366052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.366052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.366052 (E_RNA) where: Base-Base interactions energy: -968.251 where: short stacking energy: -376.941 Base-Backbone interact. energy: -1.790 local terms energy: -357.325089 where: bonds (distance) C4'-P energy: -67.337 bonds (distance) P-C4' energy: -48.699 flat angles C4'-P-C4' energy: -77.219 flat angles P-C4'-P energy: -49.393 tors. eta vs tors. theta energy: -114.677 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: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1257.472439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.472439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.472439 (E_RNA) where: Base-Base interactions energy: -882.493 where: short stacking energy: -341.223 Base-Backbone interact. energy: -0.557 local terms energy: -374.421475 where: bonds (distance) C4'-P energy: -72.994 bonds (distance) P-C4' energy: -69.421 flat angles C4'-P-C4' energy: -74.468 flat angles P-C4'-P energy: -48.311 tors. eta vs tors. theta energy: -109.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1310.689452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.689452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.689452 (E_RNA) where: Base-Base interactions energy: -973.763 where: short stacking energy: -361.735 Base-Backbone interact. energy: -0.079 local terms energy: -336.846862 where: bonds (distance) C4'-P energy: -55.371 bonds (distance) P-C4' energy: -66.107 flat angles C4'-P-C4' energy: -74.828 flat angles P-C4'-P energy: -36.101 tors. eta vs tors. theta energy: -104.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -1249.701000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.701000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.701000 (E_RNA) where: Base-Base interactions energy: -914.114 where: short stacking energy: -361.779 Base-Backbone interact. energy: -0.432 local terms energy: -335.154561 where: bonds (distance) C4'-P energy: -63.401 bonds (distance) P-C4' energy: -59.458 flat angles C4'-P-C4' energy: -68.017 flat angles P-C4'-P energy: -42.623 tors. eta vs tors. theta energy: -101.655 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: 5 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1726.747888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.747888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.747888 (E_RNA) where: Base-Base interactions energy: -1256.423 where: short stacking energy: -484.084 Base-Backbone interact. energy: -0.342 local terms energy: -469.982753 where: bonds (distance) C4'-P energy: -74.300 bonds (distance) P-C4' energy: -77.054 flat angles C4'-P-C4' energy: -97.277 flat angles P-C4'-P energy: -69.719 tors. eta vs tors. theta energy: -151.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1573.378243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.378243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.378243 (E_RNA) where: Base-Base interactions energy: -1145.965 where: short stacking energy: -427.416 Base-Backbone interact. energy: 0.739 local terms energy: -428.152449 where: bonds (distance) C4'-P energy: -77.299 bonds (distance) P-C4' energy: -77.752 flat angles C4'-P-C4' energy: -89.588 flat angles P-C4'-P energy: -56.853 tors. eta vs tors. theta energy: -126.661 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: 10 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1548.188225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.188225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.188225 (E_RNA) where: Base-Base interactions energy: -1119.052 where: short stacking energy: -438.012 Base-Backbone interact. energy: 0.869 local terms energy: -430.005827 where: bonds (distance) C4'-P energy: -72.491 bonds (distance) P-C4' energy: -70.182 flat angles C4'-P-C4' energy: -89.104 flat angles P-C4'-P energy: -69.844 tors. eta vs tors. theta energy: -128.385 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: 4, replica: 6 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1476.850574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.850574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.850574 (E_RNA) where: Base-Base interactions energy: -1071.363 where: short stacking energy: -407.922 Base-Backbone interact. energy: -2.145 local terms energy: -403.342410 where: bonds (distance) C4'-P energy: -79.074 bonds (distance) P-C4' energy: -74.202 flat angles C4'-P-C4' energy: -78.561 flat angles P-C4'-P energy: -58.761 tors. eta vs tors. theta energy: -112.744 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: 1 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1456.689337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.689337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.689337 (E_RNA) where: Base-Base interactions energy: -1067.505 where: short stacking energy: -406.877 Base-Backbone interact. energy: 9.706 local terms energy: -398.890789 where: bonds (distance) C4'-P energy: -65.532 bonds (distance) P-C4' energy: -75.485 flat angles C4'-P-C4' energy: -81.976 flat angles P-C4'-P energy: -59.426 tors. eta vs tors. theta energy: -116.471 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: 4 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1423.151180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.151180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.151180 (E_RNA) where: Base-Base interactions energy: -1045.468 where: short stacking energy: -401.316 Base-Backbone interact. energy: -0.367 local terms energy: -377.315868 where: bonds (distance) C4'-P energy: -62.203 bonds (distance) P-C4' energy: -64.220 flat angles C4'-P-C4' energy: -74.138 flat angles P-C4'-P energy: -56.759 tors. eta vs tors. theta energy: -119.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1360.488164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.488164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.488164 (E_RNA) where: Base-Base interactions energy: -993.976 where: short stacking energy: -399.648 Base-Backbone interact. energy: -0.708 local terms energy: -365.804421 where: bonds (distance) C4'-P energy: -53.499 bonds (distance) P-C4' energy: -61.548 flat angles C4'-P-C4' energy: -83.125 flat angles P-C4'-P energy: -55.414 tors. eta vs tors. theta energy: -112.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1277.864243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.864243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.864243 (E_RNA) where: Base-Base interactions energy: -901.990 where: short stacking energy: -354.677 Base-Backbone interact. energy: 0.319 local terms energy: -376.193018 where: bonds (distance) C4'-P energy: -69.810 bonds (distance) P-C4' energy: -68.088 flat angles C4'-P-C4' energy: -72.717 flat angles P-C4'-P energy: -56.203 tors. eta vs tors. theta energy: -109.375 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: 7 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1287.090587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.090587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.090587 (E_RNA) where: Base-Base interactions energy: -935.477 where: short stacking energy: -352.909 Base-Backbone interact. energy: 2.485 local terms energy: -354.098251 where: bonds (distance) C4'-P energy: -64.998 bonds (distance) P-C4' energy: -70.522 flat angles C4'-P-C4' energy: -73.671 flat angles P-C4'-P energy: -48.736 tors. eta vs tors. theta energy: -96.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -1172.439188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.439188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.439188 (E_RNA) where: Base-Base interactions energy: -862.753 where: short stacking energy: -334.414 Base-Backbone interact. energy: -0.427 local terms energy: -309.259490 where: bonds (distance) C4'-P energy: -42.850 bonds (distance) P-C4' energy: -56.148 flat angles C4'-P-C4' energy: -82.533 flat angles P-C4'-P energy: -38.450 tors. eta vs tors. theta energy: -89.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1708.234200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.234200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.234200 (E_RNA) where: Base-Base interactions energy: -1253.167 where: short stacking energy: -499.403 Base-Backbone interact. energy: -0.062 local terms energy: -455.004825 where: bonds (distance) C4'-P energy: -78.686 bonds (distance) P-C4' energy: -73.925 flat angles C4'-P-C4' energy: -94.881 flat angles P-C4'-P energy: -61.475 tors. eta vs tors. theta energy: -146.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1567.658988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.658988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.658988 (E_RNA) where: Base-Base interactions energy: -1164.262 where: short stacking energy: -440.373 Base-Backbone interact. energy: -0.219 local terms energy: -403.178026 where: bonds (distance) C4'-P energy: -66.991 bonds (distance) P-C4' energy: -84.230 flat angles C4'-P-C4' energy: -76.521 flat angles P-C4'-P energy: -49.236 tors. eta vs tors. theta energy: -126.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1565.672053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.672053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.672053 (E_RNA) where: Base-Base interactions energy: -1127.798 where: short stacking energy: -451.931 Base-Backbone interact. energy: -1.767 local terms energy: -436.107458 where: bonds (distance) C4'-P energy: -68.169 bonds (distance) P-C4' energy: -82.822 flat angles C4'-P-C4' energy: -85.850 flat angles P-C4'-P energy: -66.845 tors. eta vs tors. theta energy: -132.422 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: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1476.604164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.604164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.604164 (E_RNA) where: Base-Base interactions energy: -1088.795 where: short stacking energy: -413.733 Base-Backbone interact. energy: -0.938 local terms energy: -386.871436 where: bonds (distance) C4'-P energy: -60.369 bonds (distance) P-C4' energy: -67.559 flat angles C4'-P-C4' energy: -84.824 flat angles P-C4'-P energy: -60.262 tors. eta vs tors. theta energy: -113.857 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: 5, replica: 1 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1448.275216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.275216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.275216 (E_RNA) where: Base-Base interactions energy: -1056.583 where: short stacking energy: -408.199 Base-Backbone interact. energy: 2.032 local terms energy: -393.724094 where: bonds (distance) C4'-P energy: -67.311 bonds (distance) P-C4' energy: -74.210 flat angles C4'-P-C4' energy: -80.835 flat angles P-C4'-P energy: -53.535 tors. eta vs tors. theta energy: -117.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1415.398707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.398707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.398707 (E_RNA) where: Base-Base interactions energy: -1017.762 where: short stacking energy: -388.015 Base-Backbone interact. energy: -1.482 local terms energy: -396.154485 where: bonds (distance) C4'-P energy: -73.093 bonds (distance) P-C4' energy: -65.350 flat angles C4'-P-C4' energy: -89.244 flat angles P-C4'-P energy: -52.093 tors. eta vs tors. theta energy: -116.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1357.659604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.659604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.659604 (E_RNA) where: Base-Base interactions energy: -966.065 where: short stacking energy: -387.962 Base-Backbone interact. energy: -0.357 local terms energy: -391.236888 where: bonds (distance) C4'-P energy: -62.319 bonds (distance) P-C4' energy: -75.868 flat angles C4'-P-C4' energy: -77.831 flat angles P-C4'-P energy: -50.792 tors. eta vs tors. theta energy: -124.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1303.878776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.878776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.878776 (E_RNA) where: Base-Base interactions energy: -928.356 where: short stacking energy: -367.917 Base-Backbone interact. energy: -2.204 local terms energy: -373.319041 where: bonds (distance) C4'-P energy: -66.489 bonds (distance) P-C4' energy: -62.416 flat angles C4'-P-C4' energy: -84.201 flat angles P-C4'-P energy: -54.238 tors. eta vs tors. theta energy: -105.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1284.768590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.768590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.768590 (E_RNA) where: Base-Base interactions energy: -947.540 where: short stacking energy: -362.438 Base-Backbone interact. energy: 1.714 local terms energy: -338.942596 where: bonds (distance) C4'-P energy: -55.337 bonds (distance) P-C4' energy: -45.632 flat angles C4'-P-C4' energy: -87.538 flat angles P-C4'-P energy: -40.991 tors. eta vs tors. theta energy: -109.444 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: 8 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -1182.713905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.713905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.713905 (E_RNA) where: Base-Base interactions energy: -872.540 where: short stacking energy: -338.916 Base-Backbone interact. energy: 0.238 local terms energy: -310.412051 where: bonds (distance) C4'-P energy: -53.829 bonds (distance) P-C4' energy: -63.517 flat angles C4'-P-C4' energy: -62.128 flat angles P-C4'-P energy: -38.924 tors. eta vs tors. theta energy: -92.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1714.967921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.967921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.967921 (E_RNA) where: Base-Base interactions energy: -1246.536 where: short stacking energy: -491.757 Base-Backbone interact. energy: -0.166 local terms energy: -468.265671 where: bonds (distance) C4'-P energy: -77.861 bonds (distance) P-C4' energy: -72.549 flat angles C4'-P-C4' energy: -97.570 flat angles P-C4'-P energy: -71.016 tors. eta vs tors. theta energy: -149.270 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: 272 Temperature: 0.950000 Total energy: -1575.920697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.920697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.920697 (E_RNA) where: Base-Base interactions energy: -1162.560 where: short stacking energy: -437.537 Base-Backbone interact. energy: -1.808 local terms energy: -411.552987 where: bonds (distance) C4'-P energy: -72.806 bonds (distance) P-C4' energy: -60.809 flat angles C4'-P-C4' energy: -87.275 flat angles P-C4'-P energy: -63.329 tors. eta vs tors. theta energy: -127.334 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: 3, replica: 10 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1544.593647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.593647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.593647 (E_RNA) where: Base-Base interactions energy: -1115.080 where: short stacking energy: -445.648 Base-Backbone interact. energy: -0.511 local terms energy: -429.002437 where: bonds (distance) C4'-P energy: -71.270 bonds (distance) P-C4' energy: -69.463 flat angles C4'-P-C4' energy: -91.358 flat angles P-C4'-P energy: -62.320 tors. eta vs tors. theta energy: -134.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1477.403739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.403739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.403739 (E_RNA) where: Base-Base interactions energy: -1098.623 where: short stacking energy: -417.819 Base-Backbone interact. energy: 1.747 local terms energy: -380.527900 where: bonds (distance) C4'-P energy: -65.264 bonds (distance) P-C4' energy: -72.332 flat angles C4'-P-C4' energy: -85.099 flat angles P-C4'-P energy: -48.616 tors. eta vs tors. theta energy: -109.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1442.348965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.348965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.348965 (E_RNA) where: Base-Base interactions energy: -1043.146 where: short stacking energy: -390.899 Base-Backbone interact. energy: -0.963 local terms energy: -398.239596 where: bonds (distance) C4'-P energy: -69.213 bonds (distance) P-C4' energy: -66.724 flat angles C4'-P-C4' energy: -89.014 flat angles P-C4'-P energy: -62.590 tors. eta vs tors. theta energy: -110.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1412.575881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.575881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.575881 (E_RNA) where: Base-Base interactions energy: -1021.486 where: short stacking energy: -401.122 Base-Backbone interact. energy: 0.399 local terms energy: -391.488262 where: bonds (distance) C4'-P energy: -56.955 bonds (distance) P-C4' energy: -68.405 flat angles C4'-P-C4' energy: -86.652 flat angles P-C4'-P energy: -57.626 tors. eta vs tors. theta energy: -121.851 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: 2 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1351.280607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.280607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.280607 (E_RNA) where: Base-Base interactions energy: -987.406 where: short stacking energy: -386.240 Base-Backbone interact. energy: -0.145 local terms energy: -363.729859 where: bonds (distance) C4'-P energy: -64.067 bonds (distance) P-C4' energy: -48.522 flat angles C4'-P-C4' energy: -72.090 flat angles P-C4'-P energy: -61.711 tors. eta vs tors. theta energy: -117.341 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: 3 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1319.856246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.856246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.856246 (E_RNA) where: Base-Base interactions energy: -937.418 where: short stacking energy: -366.292 Base-Backbone interact. energy: -0.560 local terms energy: -381.878545 where: bonds (distance) C4'-P energy: -67.622 bonds (distance) P-C4' energy: -68.503 flat angles C4'-P-C4' energy: -87.727 flat angles P-C4'-P energy: -52.889 tors. eta vs tors. theta energy: -105.137 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: 272 Temperature: 1.300000 Total energy: -1261.181721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.181721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.181721 (E_RNA) where: Base-Base interactions energy: -925.771 where: short stacking energy: -359.213 Base-Backbone interact. energy: 1.846 local terms energy: -337.257223 where: bonds (distance) C4'-P energy: -54.783 bonds (distance) P-C4' energy: -56.947 flat angles C4'-P-C4' energy: -70.246 flat angles P-C4'-P energy: -49.496 tors. eta vs tors. theta energy: -105.785 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: 10, replica: 8 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -1259.397618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.397618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.397618 (E_RNA) where: Base-Base interactions energy: -912.049 where: short stacking energy: -344.871 Base-Backbone interact. energy: -0.423 local terms energy: -346.925474 where: bonds (distance) C4'-P energy: -59.891 bonds (distance) P-C4' energy: -64.790 flat angles C4'-P-C4' energy: -64.398 flat angles P-C4'-P energy: -51.555 tors. eta vs tors. theta energy: -106.291 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: 5 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1710.555102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.555102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.555102 (E_RNA) where: Base-Base interactions energy: -1225.750 where: short stacking energy: -482.877 Base-Backbone interact. energy: 0.163 local terms energy: -484.968283 where: bonds (distance) C4'-P energy: -89.069 bonds (distance) P-C4' energy: -83.158 flat angles C4'-P-C4' energy: -96.591 flat angles P-C4'-P energy: -67.354 tors. eta vs tors. theta energy: -148.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1573.562482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.562482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.562482 (E_RNA) where: Base-Base interactions energy: -1161.632 where: short stacking energy: -442.547 Base-Backbone interact. energy: -1.925 local terms energy: -410.005879 where: bonds (distance) C4'-P energy: -74.064 bonds (distance) P-C4' energy: -68.325 flat angles C4'-P-C4' energy: -84.284 flat angles P-C4'-P energy: -55.913 tors. eta vs tors. theta energy: -127.420 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: 10 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1544.225251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.225251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.225251 (E_RNA) where: Base-Base interactions energy: -1112.862 where: short stacking energy: -453.689 Base-Backbone interact. energy: -0.734 local terms energy: -430.628461 where: bonds (distance) C4'-P energy: -64.774 bonds (distance) P-C4' energy: -72.822 flat angles C4'-P-C4' energy: -98.930 flat angles P-C4'-P energy: -59.494 tors. eta vs tors. theta energy: -134.608 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: 1 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1493.283512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.283512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.283512 (E_RNA) where: Base-Base interactions energy: -1094.640 where: short stacking energy: -410.412 Base-Backbone interact. energy: -1.179 local terms energy: -397.465123 where: bonds (distance) C4'-P energy: -73.125 bonds (distance) P-C4' energy: -68.044 flat angles C4'-P-C4' energy: -83.946 flat angles P-C4'-P energy: -57.015 tors. eta vs tors. theta energy: -115.336 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: 273 Temperature: 1.100000 Total energy: -1425.724228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.724228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.724228 (E_RNA) where: Base-Base interactions energy: -1042.536 where: short stacking energy: -385.553 Base-Backbone interact. energy: -1.987 local terms energy: -381.200770 where: bonds (distance) C4'-P energy: -60.913 bonds (distance) P-C4' energy: -75.681 flat angles C4'-P-C4' energy: -75.650 flat angles P-C4'-P energy: -56.452 tors. eta vs tors. theta energy: -112.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1406.803017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.803017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.803017 (E_RNA) where: Base-Base interactions energy: -1035.668 where: short stacking energy: -392.125 Base-Backbone interact. energy: -0.830 local terms energy: -370.305008 where: bonds (distance) C4'-P energy: -40.268 bonds (distance) P-C4' energy: -71.553 flat angles C4'-P-C4' energy: -79.948 flat angles P-C4'-P energy: -57.491 tors. eta vs tors. theta energy: -121.044 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: 273 Temperature: 1.200000 Total energy: -1317.560437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.560437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.560437 (E_RNA) where: Base-Base interactions energy: -940.658 where: short stacking energy: -355.528 Base-Backbone interact. energy: -1.495 local terms energy: -375.407342 where: bonds (distance) C4'-P energy: -75.317 bonds (distance) P-C4' energy: -79.017 flat angles C4'-P-C4' energy: -74.197 flat angles P-C4'-P energy: -47.005 tors. eta vs tors. theta energy: -99.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1302.238247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.238247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.238247 (E_RNA) where: Base-Base interactions energy: -927.666 where: short stacking energy: -378.508 Base-Backbone interact. energy: 0.064 local terms energy: -374.636087 where: bonds (distance) C4'-P energy: -60.114 bonds (distance) P-C4' energy: -64.360 flat angles C4'-P-C4' energy: -78.352 flat angles P-C4'-P energy: -57.449 tors. eta vs tors. theta energy: -114.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1292.807266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.807266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.807266 (E_RNA) where: Base-Base interactions energy: -924.479 where: short stacking energy: -346.871 Base-Backbone interact. energy: 0.107 local terms energy: -368.435546 where: bonds (distance) C4'-P energy: -70.798 bonds (distance) P-C4' energy: -64.373 flat angles C4'-P-C4' energy: -77.857 flat angles P-C4'-P energy: -55.057 tors. eta vs tors. theta energy: -100.351 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: 8 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -1263.635733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.635733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.635733 (E_RNA) where: Base-Base interactions energy: -927.481 where: short stacking energy: -342.738 Base-Backbone interact. energy: -0.491 local terms energy: -335.663153 where: bonds (distance) C4'-P energy: -51.598 bonds (distance) P-C4' energy: -56.422 flat angles C4'-P-C4' energy: -69.866 flat angles P-C4'-P energy: -44.188 tors. eta vs tors. theta energy: -113.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1722.306888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.306888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.306888 (E_RNA) where: Base-Base interactions energy: -1243.033 where: short stacking energy: -484.401 Base-Backbone interact. energy: -0.247 local terms energy: -479.027200 where: bonds (distance) C4'-P energy: -81.197 bonds (distance) P-C4' energy: -74.735 flat angles C4'-P-C4' energy: -96.439 flat angles P-C4'-P energy: -76.994 tors. eta vs tors. theta energy: -149.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1556.605795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.605795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.605795 (E_RNA) where: Base-Base interactions energy: -1133.375 where: short stacking energy: -419.820 Base-Backbone interact. energy: -0.443 local terms energy: -422.787695 where: bonds (distance) C4'-P energy: -69.677 bonds (distance) P-C4' energy: -79.572 flat angles C4'-P-C4' energy: -96.763 flat angles P-C4'-P energy: -56.977 tors. eta vs tors. theta energy: -119.798 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: 10 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1536.854699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.854699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.854699 (E_RNA) where: Base-Base interactions energy: -1101.737 where: short stacking energy: -435.195 Base-Backbone interact. energy: 1.107 local terms energy: -436.224889 where: bonds (distance) C4'-P energy: -68.800 bonds (distance) P-C4' energy: -76.681 flat angles C4'-P-C4' energy: -93.243 flat angles P-C4'-P energy: -68.362 tors. eta vs tors. theta energy: -129.139 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: 1 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1480.640021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.640021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.640021 (E_RNA) where: Base-Base interactions energy: -1062.018 where: short stacking energy: -412.047 Base-Backbone interact. energy: 2.765 local terms energy: -421.387417 where: bonds (distance) C4'-P energy: -76.078 bonds (distance) P-C4' energy: -76.738 flat angles C4'-P-C4' energy: -92.873 flat angles P-C4'-P energy: -64.102 tors. eta vs tors. theta energy: -111.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1435.439394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.439394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.439394 (E_RNA) where: Base-Base interactions energy: -1025.930 where: short stacking energy: -393.591 Base-Backbone interact. energy: -0.738 local terms energy: -408.771425 where: bonds (distance) C4'-P energy: -65.973 bonds (distance) P-C4' energy: -78.573 flat angles C4'-P-C4' energy: -84.348 flat angles P-C4'-P energy: -57.223 tors. eta vs tors. theta energy: -122.654 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: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1432.290553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.290553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.290553 (E_RNA) where: Base-Base interactions energy: -1041.898 where: short stacking energy: -394.771 Base-Backbone interact. energy: -0.299 local terms energy: -390.092848 where: bonds (distance) C4'-P energy: -68.781 bonds (distance) P-C4' energy: -66.892 flat angles C4'-P-C4' energy: -81.853 flat angles P-C4'-P energy: -55.877 tors. eta vs tors. theta energy: -116.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1365.047496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.047496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.047496 (E_RNA) where: Base-Base interactions energy: -994.284 where: short stacking energy: -402.873 Base-Backbone interact. energy: -0.783 local terms energy: -369.980272 where: bonds (distance) C4'-P energy: -55.362 bonds (distance) P-C4' energy: -73.882 flat angles C4'-P-C4' energy: -78.450 flat angles P-C4'-P energy: -44.230 tors. eta vs tors. theta energy: -118.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1307.648733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.648733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.648733 (E_RNA) where: Base-Base interactions energy: -948.732 where: short stacking energy: -367.916 Base-Backbone interact. energy: 1.917 local terms energy: -360.833585 where: bonds (distance) C4'-P energy: -69.634 bonds (distance) P-C4' energy: -58.066 flat angles C4'-P-C4' energy: -72.097 flat angles P-C4'-P energy: -47.353 tors. eta vs tors. theta energy: -113.684 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: 274 Temperature: 1.300000 Total energy: -1287.891946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.891946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.891946 (E_RNA) where: Base-Base interactions energy: -946.544 where: short stacking energy: -370.655 Base-Backbone interact. energy: -1.081 local terms energy: -340.266672 where: bonds (distance) C4'-P energy: -66.015 bonds (distance) P-C4' energy: -37.678 flat angles C4'-P-C4' energy: -81.243 flat angles P-C4'-P energy: -50.427 tors. eta vs tors. theta energy: -104.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -1188.234349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.234349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.234349 (E_RNA) where: Base-Base interactions energy: -862.464 where: short stacking energy: -326.630 Base-Backbone interact. energy: -1.205 local terms energy: -324.565111 where: bonds (distance) C4'-P energy: -47.382 bonds (distance) P-C4' energy: -61.200 flat angles C4'-P-C4' energy: -71.716 flat angles P-C4'-P energy: -51.375 tors. eta vs tors. theta energy: -92.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1701.708141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.708141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.708141 (E_RNA) where: Base-Base interactions energy: -1231.394 where: short stacking energy: -489.703 Base-Backbone interact. energy: -0.150 local terms energy: -470.164593 where: bonds (distance) C4'-P energy: -78.137 bonds (distance) P-C4' energy: -76.138 flat angles C4'-P-C4' energy: -97.531 flat angles P-C4'-P energy: -67.977 tors. eta vs tors. theta energy: -150.382 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: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1574.613799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.613799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.613799 (E_RNA) where: Base-Base interactions energy: -1126.934 where: short stacking energy: -447.933 Base-Backbone interact. energy: -1.010 local terms energy: -446.669595 where: bonds (distance) C4'-P energy: -81.497 bonds (distance) P-C4' energy: -78.451 flat angles C4'-P-C4' energy: -93.322 flat angles P-C4'-P energy: -60.234 tors. eta vs tors. theta energy: -133.165 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: 3, replica: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1555.939436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.939436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.939436 (E_RNA) where: Base-Base interactions energy: -1139.876 where: short stacking energy: -437.439 Base-Backbone interact. energy: 0.654 local terms energy: -416.717759 where: bonds (distance) C4'-P energy: -72.597 bonds (distance) P-C4' energy: -68.882 flat angles C4'-P-C4' energy: -86.682 flat angles P-C4'-P energy: -63.732 tors. eta vs tors. theta energy: -124.824 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: 4, replica: 1 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1480.390903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.390903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.390903 (E_RNA) where: Base-Base interactions energy: -1074.146 where: short stacking energy: -417.417 Base-Backbone interact. energy: 3.732 local terms energy: -409.977376 where: bonds (distance) C4'-P energy: -67.863 bonds (distance) P-C4' energy: -66.019 flat angles C4'-P-C4' energy: -92.419 flat angles P-C4'-P energy: -62.412 tors. eta vs tors. theta energy: -121.264 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: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1451.711861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.711861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.711861 (E_RNA) where: Base-Base interactions energy: -1059.361 where: short stacking energy: -421.499 Base-Backbone interact. energy: 0.742 local terms energy: -393.093501 where: bonds (distance) C4'-P energy: -58.948 bonds (distance) P-C4' energy: -77.653 flat angles C4'-P-C4' energy: -81.674 flat angles P-C4'-P energy: -54.233 tors. eta vs tors. theta energy: -120.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1412.966647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.966647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.966647 (E_RNA) where: Base-Base interactions energy: -1038.214 where: short stacking energy: -389.918 Base-Backbone interact. energy: -0.592 local terms energy: -374.161193 where: bonds (distance) C4'-P energy: -68.830 bonds (distance) P-C4' energy: -61.844 flat angles C4'-P-C4' energy: -83.170 flat angles P-C4'-P energy: -54.167 tors. eta vs tors. theta energy: -106.150 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: 2 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1374.782188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.782188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.782188 (E_RNA) where: Base-Base interactions energy: -992.905 where: short stacking energy: -387.773 Base-Backbone interact. energy: -0.376 local terms energy: -381.501482 where: bonds (distance) C4'-P energy: -63.661 bonds (distance) P-C4' energy: -72.239 flat angles C4'-P-C4' energy: -80.453 flat angles P-C4'-P energy: -49.589 tors. eta vs tors. theta energy: -115.559 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: 3 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1341.525592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.525592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.525592 (E_RNA) where: Base-Base interactions energy: -959.653 where: short stacking energy: -384.085 Base-Backbone interact. energy: -0.317 local terms energy: -381.555498 where: bonds (distance) C4'-P energy: -72.552 bonds (distance) P-C4' energy: -62.293 flat angles C4'-P-C4' energy: -81.968 flat angles P-C4'-P energy: -53.250 tors. eta vs tors. theta energy: -111.494 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: 275 Temperature: 1.300000 Total energy: -1329.702569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.702569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.702569 (E_RNA) where: Base-Base interactions energy: -964.208 where: short stacking energy: -367.760 Base-Backbone interact. energy: 1.884 local terms energy: -367.379074 where: bonds (distance) C4'-P energy: -64.010 bonds (distance) P-C4' energy: -61.409 flat angles C4'-P-C4' energy: -74.432 flat angles P-C4'-P energy: -55.261 tors. eta vs tors. theta energy: -112.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1232.494052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.494052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.494052 (E_RNA) where: Base-Base interactions energy: -905.141 where: short stacking energy: -348.696 Base-Backbone interact. energy: 3.078 local terms energy: -330.430909 where: bonds (distance) C4'-P energy: -65.029 bonds (distance) P-C4' energy: -46.480 flat angles C4'-P-C4' energy: -77.892 flat angles P-C4'-P energy: -40.789 tors. eta vs tors. theta energy: -100.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1706.742970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.742970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.742970 (E_RNA) where: Base-Base interactions energy: -1250.863 where: short stacking energy: -495.758 Base-Backbone interact. energy: -0.768 local terms energy: -455.111112 where: bonds (distance) C4'-P energy: -77.979 bonds (distance) P-C4' energy: -75.473 flat angles C4'-P-C4' energy: -93.305 flat angles P-C4'-P energy: -59.856 tors. eta vs tors. theta energy: -148.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1575.743248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.743248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.743248 (E_RNA) where: Base-Base interactions energy: -1127.005 where: short stacking energy: -444.714 Base-Backbone interact. energy: -0.347 local terms energy: -448.392133 where: bonds (distance) C4'-P energy: -84.476 bonds (distance) P-C4' energy: -74.584 flat angles C4'-P-C4' energy: -89.108 flat angles P-C4'-P energy: -61.441 tors. eta vs tors. theta energy: -138.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1533.952516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.952516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.952516 (E_RNA) where: Base-Base interactions energy: -1132.016 where: short stacking energy: -427.324 Base-Backbone interact. energy: -0.496 local terms energy: -401.440561 where: bonds (distance) C4'-P energy: -74.299 bonds (distance) P-C4' energy: -63.079 flat angles C4'-P-C4' energy: -85.961 flat angles P-C4'-P energy: -56.040 tors. eta vs tors. theta energy: -122.062 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: 4, replica: 1 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1480.301975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.301975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.301975 (E_RNA) where: Base-Base interactions energy: -1062.091 where: short stacking energy: -405.280 Base-Backbone interact. energy: -0.978 local terms energy: -417.233139 where: bonds (distance) C4'-P energy: -78.764 bonds (distance) P-C4' energy: -76.769 flat angles C4'-P-C4' energy: -89.511 flat angles P-C4'-P energy: -53.126 tors. eta vs tors. theta energy: -119.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1440.584571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.584571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.584571 (E_RNA) where: Base-Base interactions energy: -1037.348 where: short stacking energy: -410.231 Base-Backbone interact. energy: 1.711 local terms energy: -404.947049 where: bonds (distance) C4'-P energy: -72.860 bonds (distance) P-C4' energy: -73.210 flat angles C4'-P-C4' energy: -84.622 flat angles P-C4'-P energy: -55.526 tors. eta vs tors. theta energy: -118.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1379.743167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.743167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.743167 (E_RNA) where: Base-Base interactions energy: -992.573 where: short stacking energy: -376.543 Base-Backbone interact. energy: -1.493 local terms energy: -385.676914 where: bonds (distance) C4'-P energy: -72.703 bonds (distance) P-C4' energy: -69.855 flat angles C4'-P-C4' energy: -85.193 flat angles P-C4'-P energy: -59.869 tors. eta vs tors. theta energy: -98.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1391.330349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.330349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.330349 (E_RNA) where: Base-Base interactions energy: -1001.756 where: short stacking energy: -398.341 Base-Backbone interact. energy: -1.087 local terms energy: -388.487033 where: bonds (distance) C4'-P energy: -71.864 bonds (distance) P-C4' energy: -60.010 flat angles C4'-P-C4' energy: -79.188 flat angles P-C4'-P energy: -55.659 tors. eta vs tors. theta energy: -121.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1331.272242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.272242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.272242 (E_RNA) where: Base-Base interactions energy: -953.040 where: short stacking energy: -389.948 Base-Backbone interact. energy: -1.823 local terms energy: -376.409555 where: bonds (distance) C4'-P energy: -61.578 bonds (distance) P-C4' energy: -57.607 flat angles C4'-P-C4' energy: -83.544 flat angles P-C4'-P energy: -53.280 tors. eta vs tors. theta energy: -120.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1280.785374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.785374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.785374 (E_RNA) where: Base-Base interactions energy: -960.943 where: short stacking energy: -363.207 Base-Backbone interact. energy: 2.746 local terms energy: -322.588075 where: bonds (distance) C4'-P energy: -53.078 bonds (distance) P-C4' energy: -49.666 flat angles C4'-P-C4' energy: -66.321 flat angles P-C4'-P energy: -46.965 tors. eta vs tors. theta energy: -106.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1225.832165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.832165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.832165 (E_RNA) where: Base-Base interactions energy: -871.197 where: short stacking energy: -332.515 Base-Backbone interact. energy: 0.100 local terms energy: -354.734702 where: bonds (distance) C4'-P energy: -57.953 bonds (distance) P-C4' energy: -67.913 flat angles C4'-P-C4' energy: -75.494 flat angles P-C4'-P energy: -54.532 tors. eta vs tors. theta energy: -98.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1726.363715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.363715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.363715 (E_RNA) where: Base-Base interactions energy: -1248.565 where: short stacking energy: -486.776 Base-Backbone interact. energy: -0.627 local terms energy: -477.172018 where: bonds (distance) C4'-P energy: -78.662 bonds (distance) P-C4' energy: -78.487 flat angles C4'-P-C4' energy: -92.454 flat angles P-C4'-P energy: -77.469 tors. eta vs tors. theta energy: -150.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1566.836838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.836838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.836838 (E_RNA) where: Base-Base interactions energy: -1142.492 where: short stacking energy: -429.678 Base-Backbone interact. energy: -0.968 local terms energy: -423.376972 where: bonds (distance) C4'-P energy: -76.490 bonds (distance) P-C4' energy: -73.378 flat angles C4'-P-C4' energy: -94.088 flat angles P-C4'-P energy: -53.590 tors. eta vs tors. theta energy: -125.832 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: 3, replica: 10 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1543.278482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.278482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.278482 (E_RNA) where: Base-Base interactions energy: -1137.824 where: short stacking energy: -460.113 Base-Backbone interact. energy: 0.184 local terms energy: -405.638036 where: bonds (distance) C4'-P energy: -70.404 bonds (distance) P-C4' energy: -62.372 flat angles C4'-P-C4' energy: -80.725 flat angles P-C4'-P energy: -54.829 tors. eta vs tors. theta energy: -137.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1494.385947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.385947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.385947 (E_RNA) where: Base-Base interactions energy: -1102.674 where: short stacking energy: -423.432 Base-Backbone interact. energy: 1.292 local terms energy: -393.003750 where: bonds (distance) C4'-P energy: -61.919 bonds (distance) P-C4' energy: -73.976 flat angles C4'-P-C4' energy: -85.681 flat angles P-C4'-P energy: -55.459 tors. eta vs tors. theta energy: -115.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1425.540679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.540679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.540679 (E_RNA) where: Base-Base interactions energy: -1009.971 where: short stacking energy: -385.146 Base-Backbone interact. energy: -0.444 local terms energy: -415.125282 where: bonds (distance) C4'-P energy: -72.907 bonds (distance) P-C4' energy: -69.928 flat angles C4'-P-C4' energy: -88.852 flat angles P-C4'-P energy: -60.465 tors. eta vs tors. theta energy: -122.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1406.310739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.310739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.310739 (E_RNA) where: Base-Base interactions energy: -1018.343 where: short stacking energy: -401.079 Base-Backbone interact. energy: -0.173 local terms energy: -387.794328 where: bonds (distance) C4'-P energy: -61.614 bonds (distance) P-C4' energy: -74.247 flat angles C4'-P-C4' energy: -78.363 flat angles P-C4'-P energy: -51.079 tors. eta vs tors. theta energy: -122.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1332.127553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.127553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.127553 (E_RNA) where: Base-Base interactions energy: -955.447 where: short stacking energy: -374.404 Base-Backbone interact. energy: -1.622 local terms energy: -375.058429 where: bonds (distance) C4'-P energy: -52.700 bonds (distance) P-C4' energy: -75.049 flat angles C4'-P-C4' energy: -77.866 flat angles P-C4'-P energy: -63.856 tors. eta vs tors. theta energy: -105.587 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: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1309.273811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.273811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.273811 (E_RNA) where: Base-Base interactions energy: -938.848 where: short stacking energy: -363.915 Base-Backbone interact. energy: 5.023 local terms energy: -375.448485 where: bonds (distance) C4'-P energy: -62.120 bonds (distance) P-C4' energy: -71.323 flat angles C4'-P-C4' energy: -86.297 flat angles P-C4'-P energy: -47.445 tors. eta vs tors. theta energy: -108.263 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: 7 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1297.368744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.368744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.368744 (E_RNA) where: Base-Base interactions energy: -941.284 where: short stacking energy: -365.740 Base-Backbone interact. energy: -1.984 local terms energy: -354.100646 where: bonds (distance) C4'-P energy: -66.583 bonds (distance) P-C4' energy: -68.898 flat angles C4'-P-C4' energy: -76.464 flat angles P-C4'-P energy: -41.936 tors. eta vs tors. theta energy: -100.219 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: 8 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1254.563563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.563563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.563563 (E_RNA) where: Base-Base interactions energy: -923.460 where: short stacking energy: -354.253 Base-Backbone interact. energy: -0.245 local terms energy: -330.858857 where: bonds (distance) C4'-P energy: -53.221 bonds (distance) P-C4' energy: -53.913 flat angles C4'-P-C4' energy: -75.706 flat angles P-C4'-P energy: -42.295 tors. eta vs tors. theta energy: -105.723 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: 1, replica: 5 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1727.759402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.759402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.759402 (E_RNA) where: Base-Base interactions energy: -1261.865 where: short stacking energy: -494.423 Base-Backbone interact. energy: -0.037 local terms energy: -465.857986 where: bonds (distance) C4'-P energy: -76.742 bonds (distance) P-C4' energy: -82.876 flat angles C4'-P-C4' energy: -88.562 flat angles P-C4'-P energy: -67.432 tors. eta vs tors. theta energy: -150.246 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: 2, replica: 9 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1550.059469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.059469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.059469 (E_RNA) where: Base-Base interactions energy: -1136.022 where: short stacking energy: -426.000 Base-Backbone interact. energy: 3.437 local terms energy: -417.474766 where: bonds (distance) C4'-P energy: -64.421 bonds (distance) P-C4' energy: -75.544 flat angles C4'-P-C4' energy: -90.402 flat angles P-C4'-P energy: -63.156 tors. eta vs tors. theta energy: -123.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1542.971654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.971654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.971654 (E_RNA) where: Base-Base interactions energy: -1104.928 where: short stacking energy: -429.613 Base-Backbone interact. energy: -0.579 local terms energy: -437.464142 where: bonds (distance) C4'-P energy: -78.709 bonds (distance) P-C4' energy: -77.961 flat angles C4'-P-C4' energy: -88.764 flat angles P-C4'-P energy: -64.168 tors. eta vs tors. theta energy: -127.862 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: 4, replica: 1 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1475.000857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.000857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.000857 (E_RNA) where: Base-Base interactions energy: -1074.053 where: short stacking energy: -410.073 Base-Backbone interact. energy: -0.127 local terms energy: -400.820502 where: bonds (distance) C4'-P energy: -78.156 bonds (distance) P-C4' energy: -62.930 flat angles C4'-P-C4' energy: -85.070 flat angles P-C4'-P energy: -56.295 tors. eta vs tors. theta energy: -118.369 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: 278 Temperature: 1.100000 Total energy: -1430.455799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.455799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.455799 (E_RNA) where: Base-Base interactions energy: -1046.610 where: short stacking energy: -402.290 Base-Backbone interact. energy: -0.824 local terms energy: -383.022391 where: bonds (distance) C4'-P energy: -61.430 bonds (distance) P-C4' energy: -76.011 flat angles C4'-P-C4' energy: -81.694 flat angles P-C4'-P energy: -46.555 tors. eta vs tors. theta energy: -117.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1380.454175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.454175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.454175 (E_RNA) where: Base-Base interactions energy: -981.064 where: short stacking energy: -394.197 Base-Backbone interact. energy: -1.140 local terms energy: -398.250155 where: bonds (distance) C4'-P energy: -54.673 bonds (distance) P-C4' energy: -74.642 flat angles C4'-P-C4' energy: -86.408 flat angles P-C4'-P energy: -57.661 tors. eta vs tors. theta energy: -124.866 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: 3 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1361.653054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.653054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.653054 (E_RNA) where: Base-Base interactions energy: -988.648 where: short stacking energy: -382.191 Base-Backbone interact. energy: -0.975 local terms energy: -372.029268 where: bonds (distance) C4'-P energy: -59.105 bonds (distance) P-C4' energy: -76.430 flat angles C4'-P-C4' energy: -83.072 flat angles P-C4'-P energy: -45.620 tors. eta vs tors. theta energy: -107.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1303.746179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.746179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.746179 (E_RNA) where: Base-Base interactions energy: -944.985 where: short stacking energy: -359.452 Base-Backbone interact. energy: 2.395 local terms energy: -361.156395 where: bonds (distance) C4'-P energy: -53.067 bonds (distance) P-C4' energy: -71.879 flat angles C4'-P-C4' energy: -70.612 flat angles P-C4'-P energy: -56.058 tors. eta vs tors. theta energy: -109.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1287.325141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.325141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.325141 (E_RNA) where: Base-Base interactions energy: -957.075 where: short stacking energy: -364.919 Base-Backbone interact. energy: 4.067 local terms energy: -334.316224 where: bonds (distance) C4'-P energy: -69.067 bonds (distance) P-C4' energy: -62.305 flat angles C4'-P-C4' energy: -61.819 flat angles P-C4'-P energy: -44.158 tors. eta vs tors. theta energy: -96.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -1246.729249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.729249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.729249 (E_RNA) where: Base-Base interactions energy: -913.510 where: short stacking energy: -344.748 Base-Backbone interact. energy: -0.567 local terms energy: -332.652631 where: bonds (distance) C4'-P energy: -52.239 bonds (distance) P-C4' energy: -58.024 flat angles C4'-P-C4' energy: -79.141 flat angles P-C4'-P energy: -41.842 tors. eta vs tors. theta energy: -101.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1713.806829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.806829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.806829 (E_RNA) where: Base-Base interactions energy: -1250.331 where: short stacking energy: -499.012 Base-Backbone interact. energy: -0.033 local terms energy: -463.443270 where: bonds (distance) C4'-P energy: -78.469 bonds (distance) P-C4' energy: -76.427 flat angles C4'-P-C4' energy: -90.467 flat angles P-C4'-P energy: -69.672 tors. eta vs tors. theta energy: -148.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1569.540182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.540182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.540182 (E_RNA) where: Base-Base interactions energy: -1144.829 where: short stacking energy: -443.303 Base-Backbone interact. energy: -0.558 local terms energy: -424.152403 where: bonds (distance) C4'-P energy: -67.323 bonds (distance) P-C4' energy: -71.536 flat angles C4'-P-C4' energy: -88.056 flat angles P-C4'-P energy: -63.595 tors. eta vs tors. theta energy: -133.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1542.302043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.302043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.302043 (E_RNA) where: Base-Base interactions energy: -1124.245 where: short stacking energy: -433.388 Base-Backbone interact. energy: -2.751 local terms energy: -415.305753 where: bonds (distance) C4'-P energy: -74.628 bonds (distance) P-C4' energy: -72.883 flat angles C4'-P-C4' energy: -86.661 flat angles P-C4'-P energy: -57.851 tors. eta vs tors. theta energy: -123.282 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: 1 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1458.578367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.578367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.578367 (E_RNA) where: Base-Base interactions energy: -1075.154 where: short stacking energy: -415.899 Base-Backbone interact. energy: -1.674 local terms energy: -381.750588 where: bonds (distance) C4'-P energy: -77.429 bonds (distance) P-C4' energy: -65.019 flat angles C4'-P-C4' energy: -77.040 flat angles P-C4'-P energy: -45.902 tors. eta vs tors. theta energy: -116.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1447.587516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.587516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.587516 (E_RNA) where: Base-Base interactions energy: -1035.371 where: short stacking energy: -400.218 Base-Backbone interact. energy: -0.038 local terms energy: -412.178327 where: bonds (distance) C4'-P energy: -80.029 bonds (distance) P-C4' energy: -76.883 flat angles C4'-P-C4' energy: -79.759 flat angles P-C4'-P energy: -56.015 tors. eta vs tors. theta energy: -119.493 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: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1389.157192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.157192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.157192 (E_RNA) where: Base-Base interactions energy: -998.499 where: short stacking energy: -395.395 Base-Backbone interact. energy: -0.692 local terms energy: -389.966810 where: bonds (distance) C4'-P energy: -64.145 bonds (distance) P-C4' energy: -66.335 flat angles C4'-P-C4' energy: -83.653 flat angles P-C4'-P energy: -54.943 tors. eta vs tors. theta energy: -120.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1371.650210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.650210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.650210 (E_RNA) where: Base-Base interactions energy: -987.102 where: short stacking energy: -382.452 Base-Backbone interact. energy: 0.134 local terms energy: -384.682439 where: bonds (distance) C4'-P energy: -66.693 bonds (distance) P-C4' energy: -63.682 flat angles C4'-P-C4' energy: -78.863 flat angles P-C4'-P energy: -59.012 tors. eta vs tors. theta energy: -116.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1336.073523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.073523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.073523 (E_RNA) where: Base-Base interactions energy: -980.450 where: short stacking energy: -370.051 Base-Backbone interact. energy: -1.066 local terms energy: -354.558157 where: bonds (distance) C4'-P energy: -58.622 bonds (distance) P-C4' energy: -66.901 flat angles C4'-P-C4' energy: -75.729 flat angles P-C4'-P energy: -45.599 tors. eta vs tors. theta energy: -107.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1320.168668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.168668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.168668 (E_RNA) where: Base-Base interactions energy: -978.584 where: short stacking energy: -379.164 Base-Backbone interact. energy: 1.459 local terms energy: -343.043542 where: bonds (distance) C4'-P energy: -52.173 bonds (distance) P-C4' energy: -64.823 flat angles C4'-P-C4' energy: -71.538 flat angles P-C4'-P energy: -47.790 tors. eta vs tors. theta energy: -106.719 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: 10, replica: 8 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -1283.273014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.273014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.273014 (E_RNA) where: Base-Base interactions energy: -947.255 where: short stacking energy: -362.135 Base-Backbone interact. energy: -0.114 local terms energy: -335.904369 where: bonds (distance) C4'-P energy: -63.238 bonds (distance) P-C4' energy: -51.599 flat angles C4'-P-C4' energy: -80.856 flat angles P-C4'-P energy: -39.975 tors. eta vs tors. theta energy: -100.236 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: 280 Temperature: 0.900000 Total energy: -1704.584210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.584210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.584210 (E_RNA) where: Base-Base interactions energy: -1250.929 where: short stacking energy: -486.658 Base-Backbone interact. energy: -1.269 local terms energy: -452.386511 where: bonds (distance) C4'-P energy: -72.482 bonds (distance) P-C4' energy: -74.595 flat angles C4'-P-C4' energy: -90.308 flat angles P-C4'-P energy: -71.625 tors. eta vs tors. theta energy: -143.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1561.691490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.691490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.691490 (E_RNA) where: Base-Base interactions energy: -1129.646 where: short stacking energy: -452.575 Base-Backbone interact. energy: -0.221 local terms energy: -431.823649 where: bonds (distance) C4'-P energy: -81.979 bonds (distance) P-C4' energy: -60.881 flat angles C4'-P-C4' energy: -90.361 flat angles P-C4'-P energy: -63.615 tors. eta vs tors. theta energy: -134.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1547.539451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.539451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.539451 (E_RNA) where: Base-Base interactions energy: -1138.003 where: short stacking energy: -427.568 Base-Backbone interact. energy: -1.390 local terms energy: -408.146705 where: bonds (distance) C4'-P energy: -69.238 bonds (distance) P-C4' energy: -71.336 flat angles C4'-P-C4' energy: -88.905 flat angles P-C4'-P energy: -54.707 tors. eta vs tors. theta energy: -123.961 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: 280 Temperature: 1.050000 Total energy: -1480.107452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.107452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.107452 (E_RNA) where: Base-Base interactions energy: -1073.170 where: short stacking energy: -400.660 Base-Backbone interact. energy: -3.036 local terms energy: -403.902091 where: bonds (distance) C4'-P energy: -73.714 bonds (distance) P-C4' energy: -73.114 flat angles C4'-P-C4' energy: -86.280 flat angles P-C4'-P energy: -60.777 tors. eta vs tors. theta energy: -110.018 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: 280 Temperature: 1.100000 Total energy: -1413.246664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.246664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.246664 (E_RNA) where: Base-Base interactions energy: -1014.090 where: short stacking energy: -398.916 Base-Backbone interact. energy: 1.862 local terms energy: -401.018906 where: bonds (distance) C4'-P energy: -74.769 bonds (distance) P-C4' energy: -63.584 flat angles C4'-P-C4' energy: -79.957 flat angles P-C4'-P energy: -61.716 tors. eta vs tors. theta energy: -120.993 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: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1383.294236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.294236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.294236 (E_RNA) where: Base-Base interactions energy: -1010.033 where: short stacking energy: -378.452 Base-Backbone interact. energy: 1.858 local terms energy: -375.120041 where: bonds (distance) C4'-P energy: -78.167 bonds (distance) P-C4' energy: -55.168 flat angles C4'-P-C4' energy: -75.239 flat angles P-C4'-P energy: -56.583 tors. eta vs tors. theta energy: -109.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1321.668474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.668474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.668474 (E_RNA) where: Base-Base interactions energy: -957.917 where: short stacking energy: -365.941 Base-Backbone interact. energy: -1.444 local terms energy: -362.307842 where: bonds (distance) C4'-P energy: -66.740 bonds (distance) P-C4' energy: -66.979 flat angles C4'-P-C4' energy: -77.060 flat angles P-C4'-P energy: -43.033 tors. eta vs tors. theta energy: -108.496 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: 8, replica: 7 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1316.078030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.078030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.078030 (E_RNA) where: Base-Base interactions energy: -947.604 where: short stacking energy: -361.152 Base-Backbone interact. energy: -0.272 local terms energy: -368.201211 where: bonds (distance) C4'-P energy: -69.878 bonds (distance) P-C4' energy: -68.151 flat angles C4'-P-C4' energy: -86.242 flat angles P-C4'-P energy: -39.493 tors. eta vs tors. theta energy: -104.438 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: 9, replica: 6 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1269.362774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.362774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.362774 (E_RNA) where: Base-Base interactions energy: -937.217 where: short stacking energy: -358.081 Base-Backbone interact. energy: -1.419 local terms energy: -330.727257 where: bonds (distance) C4'-P energy: -68.358 bonds (distance) P-C4' energy: -46.323 flat angles C4'-P-C4' energy: -73.275 flat angles P-C4'-P energy: -45.844 tors. eta vs tors. theta energy: -96.927 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: 280 Temperature: 1.350000 Total energy: -1256.204389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.204389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.204389 (E_RNA) where: Base-Base interactions energy: -901.533 where: short stacking energy: -348.463 Base-Backbone interact. energy: 0.057 local terms energy: -354.728336 where: bonds (distance) C4'-P energy: -67.580 bonds (distance) P-C4' energy: -63.133 flat angles C4'-P-C4' energy: -78.325 flat angles P-C4'-P energy: -37.546 tors. eta vs tors. theta energy: -108.144 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: 5 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1695.991784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.991784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.991784 (E_RNA) where: Base-Base interactions energy: -1249.885 where: short stacking energy: -492.142 Base-Backbone interact. energy: 0.985 local terms energy: -447.091394 where: bonds (distance) C4'-P energy: -69.049 bonds (distance) P-C4' energy: -73.339 flat angles C4'-P-C4' energy: -86.843 flat angles P-C4'-P energy: -70.639 tors. eta vs tors. theta energy: -147.221 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: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1582.834186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.834186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.834186 (E_RNA) where: Base-Base interactions energy: -1151.683 where: short stacking energy: -449.072 Base-Backbone interact. energy: -0.826 local terms energy: -430.324776 where: bonds (distance) C4'-P energy: -80.701 bonds (distance) P-C4' energy: -67.501 flat angles C4'-P-C4' energy: -92.141 flat angles P-C4'-P energy: -64.961 tors. eta vs tors. theta energy: -125.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1534.610331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.610331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.610331 (E_RNA) where: Base-Base interactions energy: -1095.469 where: short stacking energy: -428.391 Base-Backbone interact. energy: -1.088 local terms energy: -438.053321 where: bonds (distance) C4'-P energy: -67.797 bonds (distance) P-C4' energy: -83.859 flat angles C4'-P-C4' energy: -92.254 flat angles P-C4'-P energy: -65.179 tors. eta vs tors. theta energy: -128.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1477.055036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.055036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.055036 (E_RNA) where: Base-Base interactions energy: -1078.521 where: short stacking energy: -400.757 Base-Backbone interact. energy: 3.074 local terms energy: -401.608173 where: bonds (distance) C4'-P energy: -71.122 bonds (distance) P-C4' energy: -71.526 flat angles C4'-P-C4' energy: -88.098 flat angles P-C4'-P energy: -58.939 tors. eta vs tors. theta energy: -111.923 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: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1413.245249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.245249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.245249 (E_RNA) where: Base-Base interactions energy: -1009.884 where: short stacking energy: -412.738 Base-Backbone interact. energy: -0.995 local terms energy: -402.366326 where: bonds (distance) C4'-P energy: -71.066 bonds (distance) P-C4' energy: -78.625 flat angles C4'-P-C4' energy: -76.666 flat angles P-C4'-P energy: -58.470 tors. eta vs tors. theta energy: -117.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1389.656426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.656426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.656426 (E_RNA) where: Base-Base interactions energy: -1007.583 where: short stacking energy: -393.204 Base-Backbone interact. energy: -1.133 local terms energy: -380.940397 where: bonds (distance) C4'-P energy: -60.827 bonds (distance) P-C4' energy: -67.850 flat angles C4'-P-C4' energy: -76.770 flat angles P-C4'-P energy: -57.514 tors. eta vs tors. theta energy: -117.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1345.540064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.540064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.540064 (E_RNA) where: Base-Base interactions energy: -974.943 where: short stacking energy: -372.468 Base-Backbone interact. energy: -0.432 local terms energy: -370.164383 where: bonds (distance) C4'-P energy: -66.019 bonds (distance) P-C4' energy: -69.196 flat angles C4'-P-C4' energy: -79.751 flat angles P-C4'-P energy: -45.396 tors. eta vs tors. theta energy: -109.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1343.045427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.045427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.045427 (E_RNA) where: Base-Base interactions energy: -967.737 where: short stacking energy: -369.122 Base-Backbone interact. energy: 0.315 local terms energy: -375.623655 where: bonds (distance) C4'-P energy: -69.719 bonds (distance) P-C4' energy: -56.288 flat angles C4'-P-C4' energy: -85.244 flat angles P-C4'-P energy: -55.369 tors. eta vs tors. theta energy: -109.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1243.171135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.171135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.171135 (E_RNA) where: Base-Base interactions energy: -903.467 where: short stacking energy: -352.555 Base-Backbone interact. energy: -1.780 local terms energy: -337.923331 where: bonds (distance) C4'-P energy: -62.237 bonds (distance) P-C4' energy: -63.573 flat angles C4'-P-C4' energy: -64.211 flat angles P-C4'-P energy: -46.581 tors. eta vs tors. theta energy: -101.321 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: 8 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -1210.530757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.530757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.530757 (E_RNA) where: Base-Base interactions energy: -859.812 where: short stacking energy: -339.851 Base-Backbone interact. energy: 0.121 local terms energy: -350.839435 where: bonds (distance) C4'-P energy: -60.583 bonds (distance) P-C4' energy: -45.195 flat angles C4'-P-C4' energy: -80.682 flat angles P-C4'-P energy: -57.716 tors. eta vs tors. theta energy: -106.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1697.682745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.682745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.682745 (E_RNA) where: Base-Base interactions energy: -1224.414 where: short stacking energy: -475.937 Base-Backbone interact. energy: -0.131 local terms energy: -473.137651 where: bonds (distance) C4'-P energy: -84.171 bonds (distance) P-C4' energy: -75.899 flat angles C4'-P-C4' energy: -91.588 flat angles P-C4'-P energy: -72.940 tors. eta vs tors. theta energy: -148.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1571.422562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.422562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.422562 (E_RNA) where: Base-Base interactions energy: -1145.577 where: short stacking energy: -432.834 Base-Backbone interact. energy: -0.940 local terms energy: -424.905598 where: bonds (distance) C4'-P energy: -80.937 bonds (distance) P-C4' energy: -72.089 flat angles C4'-P-C4' energy: -89.916 flat angles P-C4'-P energy: -56.033 tors. eta vs tors. theta energy: -125.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1552.921857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.921857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.921857 (E_RNA) where: Base-Base interactions energy: -1120.627 where: short stacking energy: -440.611 Base-Backbone interact. energy: -0.114 local terms energy: -432.180869 where: bonds (distance) C4'-P energy: -69.776 bonds (distance) P-C4' energy: -70.715 flat angles C4'-P-C4' energy: -95.745 flat angles P-C4'-P energy: -68.895 tors. eta vs tors. theta energy: -127.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1485.494539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.494539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.494539 (E_RNA) where: Base-Base interactions energy: -1095.162 where: short stacking energy: -411.153 Base-Backbone interact. energy: -1.396 local terms energy: -388.936704 where: bonds (distance) C4'-P energy: -68.137 bonds (distance) P-C4' energy: -64.095 flat angles C4'-P-C4' energy: -81.972 flat angles P-C4'-P energy: -61.471 tors. eta vs tors. theta energy: -113.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1428.003055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.003055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.003055 (E_RNA) where: Base-Base interactions energy: -1027.260 where: short stacking energy: -411.172 Base-Backbone interact. energy: 0.941 local terms energy: -401.684221 where: bonds (distance) C4'-P energy: -66.933 bonds (distance) P-C4' energy: -65.506 flat angles C4'-P-C4' energy: -82.967 flat angles P-C4'-P energy: -56.267 tors. eta vs tors. theta energy: -130.011 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: 6, replica: 2 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1388.240785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.240785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.240785 (E_RNA) where: Base-Base interactions energy: -1001.328 where: short stacking energy: -389.700 Base-Backbone interact. energy: 1.785 local terms energy: -388.698408 where: bonds (distance) C4'-P energy: -66.597 bonds (distance) P-C4' energy: -64.943 flat angles C4'-P-C4' energy: -84.991 flat angles P-C4'-P energy: -55.571 tors. eta vs tors. theta energy: -116.596 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: 7, replica: 7 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1347.558216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.558216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.558216 (E_RNA) where: Base-Base interactions energy: -994.679 where: short stacking energy: -374.446 Base-Backbone interact. energy: 1.198 local terms energy: -354.076705 where: bonds (distance) C4'-P energy: -47.706 bonds (distance) P-C4' energy: -69.062 flat angles C4'-P-C4' energy: -81.357 flat angles P-C4'-P energy: -48.695 tors. eta vs tors. theta energy: -107.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1312.887799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.887799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.887799 (E_RNA) where: Base-Base interactions energy: -946.482 where: short stacking energy: -364.977 Base-Backbone interact. energy: 0.628 local terms energy: -367.032974 where: bonds (distance) C4'-P energy: -52.730 bonds (distance) P-C4' energy: -59.042 flat angles C4'-P-C4' energy: -87.232 flat angles P-C4'-P energy: -56.967 tors. eta vs tors. theta energy: -111.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1228.287234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.287234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.287234 (E_RNA) where: Base-Base interactions energy: -886.717 where: short stacking energy: -346.599 Base-Backbone interact. energy: -0.291 local terms energy: -341.278532 where: bonds (distance) C4'-P energy: -61.352 bonds (distance) P-C4' energy: -52.896 flat angles C4'-P-C4' energy: -70.905 flat angles P-C4'-P energy: -54.719 tors. eta vs tors. theta energy: -101.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1221.158370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.158370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.158370 (E_RNA) where: Base-Base interactions energy: -902.941 where: short stacking energy: -348.591 Base-Backbone interact. energy: -0.992 local terms energy: -317.225262 where: bonds (distance) C4'-P energy: -53.723 bonds (distance) P-C4' energy: -64.834 flat angles C4'-P-C4' energy: -58.824 flat angles P-C4'-P energy: -50.644 tors. eta vs tors. theta energy: -89.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1716.466339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.466339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.466339 (E_RNA) where: Base-Base interactions energy: -1244.502 where: short stacking energy: -495.517 Base-Backbone interact. energy: -1.740 local terms energy: -470.224595 where: bonds (distance) C4'-P energy: -74.029 bonds (distance) P-C4' energy: -81.266 flat angles C4'-P-C4' energy: -94.126 flat angles P-C4'-P energy: -68.858 tors. eta vs tors. theta energy: -151.945 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: 2, replica: 9 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1560.880575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.880575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.880575 (E_RNA) where: Base-Base interactions energy: -1148.654 where: short stacking energy: -439.672 Base-Backbone interact. energy: -1.353 local terms energy: -410.873491 where: bonds (distance) C4'-P energy: -66.353 bonds (distance) P-C4' energy: -77.254 flat angles C4'-P-C4' energy: -91.406 flat angles P-C4'-P energy: -54.651 tors. eta vs tors. theta energy: -121.210 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: 10 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1530.649002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.649002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.649002 (E_RNA) where: Base-Base interactions energy: -1103.253 where: short stacking energy: -439.854 Base-Backbone interact. energy: 1.882 local terms energy: -429.277706 where: bonds (distance) C4'-P energy: -65.795 bonds (distance) P-C4' energy: -80.781 flat angles C4'-P-C4' energy: -87.796 flat angles P-C4'-P energy: -61.673 tors. eta vs tors. theta energy: -133.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1466.585723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.585723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.585723 (E_RNA) where: Base-Base interactions energy: -1061.166 where: short stacking energy: -402.291 Base-Backbone interact. energy: 1.478 local terms energy: -406.898083 where: bonds (distance) C4'-P energy: -76.511 bonds (distance) P-C4' energy: -67.957 flat angles C4'-P-C4' energy: -90.625 flat angles P-C4'-P energy: -52.722 tors. eta vs tors. theta energy: -119.084 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: 1 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1459.818816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.818816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.818816 (E_RNA) where: Base-Base interactions energy: -1056.910 where: short stacking energy: -397.137 Base-Backbone interact. energy: 1.453 local terms energy: -404.361927 where: bonds (distance) C4'-P energy: -78.321 bonds (distance) P-C4' energy: -64.180 flat angles C4'-P-C4' energy: -86.066 flat angles P-C4'-P energy: -61.017 tors. eta vs tors. theta energy: -114.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1382.778414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.778414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.778414 (E_RNA) where: Base-Base interactions energy: -998.189 where: short stacking energy: -401.793 Base-Backbone interact. energy: -0.383 local terms energy: -384.205969 where: bonds (distance) C4'-P energy: -63.989 bonds (distance) P-C4' energy: -74.767 flat angles C4'-P-C4' energy: -78.914 flat angles P-C4'-P energy: -49.577 tors. eta vs tors. theta energy: -116.959 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: 7 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1376.411268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.411268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.411268 (E_RNA) where: Base-Base interactions energy: -1018.527 where: short stacking energy: -388.916 Base-Backbone interact. energy: 1.264 local terms energy: -359.147839 where: bonds (distance) C4'-P energy: -60.648 bonds (distance) P-C4' energy: -63.707 flat angles C4'-P-C4' energy: -78.129 flat angles P-C4'-P energy: -55.089 tors. eta vs tors. theta energy: -101.575 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: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1313.624444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.624444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.624444 (E_RNA) where: Base-Base interactions energy: -945.773 where: short stacking energy: -375.837 Base-Backbone interact. energy: -0.987 local terms energy: -366.863988 where: bonds (distance) C4'-P energy: -55.137 bonds (distance) P-C4' energy: -61.230 flat angles C4'-P-C4' energy: -79.328 flat angles P-C4'-P energy: -62.285 tors. eta vs tors. theta energy: -108.884 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: 9, replica: 8 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1280.637448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.637448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.637448 (E_RNA) where: Base-Base interactions energy: -922.890 where: short stacking energy: -357.192 Base-Backbone interact. energy: 0.695 local terms energy: -358.441759 where: bonds (distance) C4'-P energy: -59.903 bonds (distance) P-C4' energy: -67.236 flat angles C4'-P-C4' energy: -75.936 flat angles P-C4'-P energy: -49.817 tors. eta vs tors. theta energy: -105.549 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: 6 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1195.142798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.142798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.142798 (E_RNA) where: Base-Base interactions energy: -887.863 where: short stacking energy: -330.665 Base-Backbone interact. energy: 5.711 local terms energy: -312.990190 where: bonds (distance) C4'-P energy: -59.230 bonds (distance) P-C4' energy: -40.251 flat angles C4'-P-C4' energy: -70.150 flat angles P-C4'-P energy: -51.950 tors. eta vs tors. theta energy: -91.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1707.169932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.169932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.169932 (E_RNA) where: Base-Base interactions energy: -1240.890 where: short stacking energy: -484.829 Base-Backbone interact. energy: -0.436 local terms energy: -465.843309 where: bonds (distance) C4'-P energy: -73.640 bonds (distance) P-C4' energy: -86.096 flat angles C4'-P-C4' energy: -95.581 flat angles P-C4'-P energy: -69.597 tors. eta vs tors. theta energy: -140.929 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: 9 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1561.334218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.334218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.334218 (E_RNA) where: Base-Base interactions energy: -1139.494 where: short stacking energy: -436.037 Base-Backbone interact. energy: 2.117 local terms energy: -423.957171 where: bonds (distance) C4'-P energy: -72.149 bonds (distance) P-C4' energy: -71.570 flat angles C4'-P-C4' energy: -90.044 flat angles P-C4'-P energy: -64.204 tors. eta vs tors. theta energy: -125.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1553.638157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.638157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.638157 (E_RNA) where: Base-Base interactions energy: -1124.078 where: short stacking energy: -452.346 Base-Backbone interact. energy: -0.548 local terms energy: -429.011757 where: bonds (distance) C4'-P energy: -74.142 bonds (distance) P-C4' energy: -71.896 flat angles C4'-P-C4' energy: -93.036 flat angles P-C4'-P energy: -56.497 tors. eta vs tors. theta energy: -133.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1465.638508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.638508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.638508 (E_RNA) where: Base-Base interactions energy: -1058.920 where: short stacking energy: -407.247 Base-Backbone interact. energy: -0.211 local terms energy: -406.507813 where: bonds (distance) C4'-P energy: -77.963 bonds (distance) P-C4' energy: -74.577 flat angles C4'-P-C4' energy: -82.852 flat angles P-C4'-P energy: -57.419 tors. eta vs tors. theta energy: -113.697 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: 5, replica: 1 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1451.279100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.279100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.279100 (E_RNA) where: Base-Base interactions energy: -1055.150 where: short stacking energy: -405.090 Base-Backbone interact. energy: -1.173 local terms energy: -394.956553 where: bonds (distance) C4'-P energy: -68.276 bonds (distance) P-C4' energy: -62.790 flat angles C4'-P-C4' energy: -89.093 flat angles P-C4'-P energy: -59.944 tors. eta vs tors. theta energy: -114.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1402.419921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.419921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.419921 (E_RNA) where: Base-Base interactions energy: -992.083 where: short stacking energy: -391.412 Base-Backbone interact. energy: -0.556 local terms energy: -409.780707 where: bonds (distance) C4'-P energy: -71.375 bonds (distance) P-C4' energy: -73.583 flat angles C4'-P-C4' energy: -84.196 flat angles P-C4'-P energy: -61.877 tors. eta vs tors. theta energy: -118.749 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: 7 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1349.881933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.881933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.881933 (E_RNA) where: Base-Base interactions energy: -998.647 where: short stacking energy: -377.219 Base-Backbone interact. energy: 4.657 local terms energy: -355.892008 where: bonds (distance) C4'-P energy: -68.352 bonds (distance) P-C4' energy: -59.885 flat angles C4'-P-C4' energy: -70.669 flat angles P-C4'-P energy: -45.795 tors. eta vs tors. theta energy: -111.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1292.227649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.227649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.227649 (E_RNA) where: Base-Base interactions energy: -930.854 where: short stacking energy: -362.476 Base-Backbone interact. energy: 2.700 local terms energy: -364.073698 where: bonds (distance) C4'-P energy: -62.620 bonds (distance) P-C4' energy: -65.059 flat angles C4'-P-C4' energy: -71.187 flat angles P-C4'-P energy: -55.368 tors. eta vs tors. theta energy: -109.840 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: 6 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1257.461944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.461944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.461944 (E_RNA) where: Base-Base interactions energy: -915.593 where: short stacking energy: -353.471 Base-Backbone interact. energy: 0.412 local terms energy: -342.280695 where: bonds (distance) C4'-P energy: -57.231 bonds (distance) P-C4' energy: -51.101 flat angles C4'-P-C4' energy: -76.032 flat angles P-C4'-P energy: -59.766 tors. eta vs tors. theta energy: -98.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1206.489456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.489456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.489456 (E_RNA) where: Base-Base interactions energy: -856.307 where: short stacking energy: -329.139 Base-Backbone interact. energy: -0.287 local terms energy: -349.895599 where: bonds (distance) C4'-P energy: -59.884 bonds (distance) P-C4' energy: -69.492 flat angles C4'-P-C4' energy: -63.999 flat angles P-C4'-P energy: -56.379 tors. eta vs tors. theta energy: -100.141 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: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1714.808879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.808879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.808879 (E_RNA) where: Base-Base interactions energy: -1254.602 where: short stacking energy: -491.052 Base-Backbone interact. energy: -0.005 local terms energy: -460.201595 where: bonds (distance) C4'-P energy: -71.701 bonds (distance) P-C4' energy: -73.260 flat angles C4'-P-C4' energy: -93.138 flat angles P-C4'-P energy: -73.141 tors. eta vs tors. theta energy: -148.963 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: 2, replica: 10 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1564.380604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.380604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.380604 (E_RNA) where: Base-Base interactions energy: -1123.760 where: short stacking energy: -441.655 Base-Backbone interact. energy: 4.586 local terms energy: -445.206501 where: bonds (distance) C4'-P energy: -73.223 bonds (distance) P-C4' energy: -82.059 flat angles C4'-P-C4' energy: -91.688 flat angles P-C4'-P energy: -69.173 tors. eta vs tors. theta energy: -129.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1556.049439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.049439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.049439 (E_RNA) where: Base-Base interactions energy: -1158.609 where: short stacking energy: -432.261 Base-Backbone interact. energy: 1.021 local terms energy: -398.461824 where: bonds (distance) C4'-P energy: -65.475 bonds (distance) P-C4' energy: -68.415 flat angles C4'-P-C4' energy: -87.610 flat angles P-C4'-P energy: -52.887 tors. eta vs tors. theta energy: -124.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1504.914168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.914168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.914168 (E_RNA) where: Base-Base interactions energy: -1100.480 where: short stacking energy: -416.526 Base-Backbone interact. energy: -1.231 local terms energy: -403.203315 where: bonds (distance) C4'-P energy: -70.468 bonds (distance) P-C4' energy: -74.341 flat angles C4'-P-C4' energy: -82.789 flat angles P-C4'-P energy: -57.346 tors. eta vs tors. theta energy: -118.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1418.468816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.468816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.468816 (E_RNA) where: Base-Base interactions energy: -997.244 where: short stacking energy: -381.512 Base-Backbone interact. energy: 1.588 local terms energy: -422.812641 where: bonds (distance) C4'-P energy: -79.313 bonds (distance) P-C4' energy: -62.597 flat angles C4'-P-C4' energy: -89.241 flat angles P-C4'-P energy: -70.401 tors. eta vs tors. theta energy: -121.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1386.270627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.270627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.270627 (E_RNA) where: Base-Base interactions energy: -1002.483 where: short stacking energy: -399.613 Base-Backbone interact. energy: -0.888 local terms energy: -382.899824 where: bonds (distance) C4'-P energy: -61.192 bonds (distance) P-C4' energy: -69.403 flat angles C4'-P-C4' energy: -83.164 flat angles P-C4'-P energy: -55.664 tors. eta vs tors. theta energy: -113.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1353.583739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.583739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.583739 (E_RNA) where: Base-Base interactions energy: -980.514 where: short stacking energy: -406.805 Base-Backbone interact. energy: -0.233 local terms energy: -372.836935 where: bonds (distance) C4'-P energy: -58.286 bonds (distance) P-C4' energy: -64.352 flat angles C4'-P-C4' energy: -78.036 flat angles P-C4'-P energy: -55.968 tors. eta vs tors. theta energy: -116.195 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: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1322.761443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.761443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.761443 (E_RNA) where: Base-Base interactions energy: -954.247 where: short stacking energy: -370.248 Base-Backbone interact. energy: -0.110 local terms energy: -368.404302 where: bonds (distance) C4'-P energy: -68.594 bonds (distance) P-C4' energy: -62.769 flat angles C4'-P-C4' energy: -86.320 flat angles P-C4'-P energy: -41.292 tors. eta vs tors. theta energy: -109.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1196.647482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.647482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.647482 (E_RNA) where: Base-Base interactions energy: -864.039 where: short stacking energy: -338.499 Base-Backbone interact. energy: -1.084 local terms energy: -331.524632 where: bonds (distance) C4'-P energy: -58.475 bonds (distance) P-C4' energy: -66.821 flat angles C4'-P-C4' energy: -75.391 flat angles P-C4'-P energy: -47.027 tors. eta vs tors. theta energy: -83.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1207.416478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.416478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.416478 (E_RNA) where: Base-Base interactions energy: -873.115 where: short stacking energy: -326.056 Base-Backbone interact. energy: 2.850 local terms energy: -337.151298 where: bonds (distance) C4'-P energy: -65.761 bonds (distance) P-C4' energy: -59.585 flat angles C4'-P-C4' energy: -74.280 flat angles P-C4'-P energy: -49.732 tors. eta vs tors. theta energy: -87.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1705.551856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.551856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.551856 (E_RNA) where: Base-Base interactions energy: -1243.531 where: short stacking energy: -491.635 Base-Backbone interact. energy: -0.178 local terms energy: -461.842219 where: bonds (distance) C4'-P energy: -78.756 bonds (distance) P-C4' energy: -71.687 flat angles C4'-P-C4' energy: -92.094 flat angles P-C4'-P energy: -70.121 tors. eta vs tors. theta energy: -149.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1597.892954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.892954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.892954 (E_RNA) where: Base-Base interactions energy: -1159.539 where: short stacking energy: -461.585 Base-Backbone interact. energy: -0.928 local terms energy: -437.425804 where: bonds (distance) C4'-P energy: -70.194 bonds (distance) P-C4' energy: -81.421 flat angles C4'-P-C4' energy: -90.044 flat angles P-C4'-P energy: -62.332 tors. eta vs tors. theta energy: -133.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1544.231352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.231352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.231352 (E_RNA) where: Base-Base interactions energy: -1154.161 where: short stacking energy: -435.999 Base-Backbone interact. energy: 0.213 local terms energy: -390.283270 where: bonds (distance) C4'-P energy: -64.283 bonds (distance) P-C4' energy: -56.867 flat angles C4'-P-C4' energy: -83.835 flat angles P-C4'-P energy: -62.959 tors. eta vs tors. theta energy: -122.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1491.080540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.080540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.080540 (E_RNA) where: Base-Base interactions energy: -1078.733 where: short stacking energy: -422.890 Base-Backbone interact. energy: -0.958 local terms energy: -411.390183 where: bonds (distance) C4'-P energy: -66.798 bonds (distance) P-C4' energy: -78.873 flat angles C4'-P-C4' energy: -81.654 flat angles P-C4'-P energy: -62.368 tors. eta vs tors. theta energy: -121.697 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: 5, replica: 7 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1416.093902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.093902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.093902 (E_RNA) where: Base-Base interactions energy: -1021.931 where: short stacking energy: -393.829 Base-Backbone interact. energy: 0.237 local terms energy: -394.400809 where: bonds (distance) C4'-P energy: -71.070 bonds (distance) P-C4' energy: -67.779 flat angles C4'-P-C4' energy: -85.970 flat angles P-C4'-P energy: -52.153 tors. eta vs tors. theta energy: -117.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1387.875337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.875337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.875337 (E_RNA) where: Base-Base interactions energy: -1015.589 where: short stacking energy: -384.120 Base-Backbone interact. energy: 2.898 local terms energy: -375.184148 where: bonds (distance) C4'-P energy: -63.304 bonds (distance) P-C4' energy: -54.763 flat angles C4'-P-C4' energy: -85.888 flat angles P-C4'-P energy: -59.592 tors. eta vs tors. theta energy: -111.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1334.455141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.455141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.455141 (E_RNA) where: Base-Base interactions energy: -954.475 where: short stacking energy: -381.396 Base-Backbone interact. energy: -1.116 local terms energy: -378.864887 where: bonds (distance) C4'-P energy: -71.921 bonds (distance) P-C4' energy: -66.810 flat angles C4'-P-C4' energy: -81.442 flat angles P-C4'-P energy: -51.721 tors. eta vs tors. theta energy: -106.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1343.304597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.304597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.304597 (E_RNA) where: Base-Base interactions energy: -981.034 where: short stacking energy: -382.379 Base-Backbone interact. energy: -1.946 local terms energy: -360.324748 where: bonds (distance) C4'-P energy: -66.920 bonds (distance) P-C4' energy: -63.317 flat angles C4'-P-C4' energy: -76.292 flat angles P-C4'-P energy: -46.711 tors. eta vs tors. theta energy: -107.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1280.557284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.557284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.557284 (E_RNA) where: Base-Base interactions energy: -929.683 where: short stacking energy: -356.988 Base-Backbone interact. energy: -0.860 local terms energy: -350.013995 where: bonds (distance) C4'-P energy: -58.724 bonds (distance) P-C4' energy: -59.882 flat angles C4'-P-C4' energy: -80.414 flat angles P-C4'-P energy: -43.985 tors. eta vs tors. theta energy: -107.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1126.077202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.077202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.077202 (E_RNA) where: Base-Base interactions energy: -834.069 where: short stacking energy: -322.920 Base-Backbone interact. energy: 2.179 local terms energy: -294.187255 where: bonds (distance) C4'-P energy: -38.442 bonds (distance) P-C4' energy: -54.261 flat angles C4'-P-C4' energy: -76.186 flat angles P-C4'-P energy: -33.612 tors. eta vs tors. theta energy: -91.686 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: 5 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1711.041864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.041864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.041864 (E_RNA) where: Base-Base interactions energy: -1263.514 where: short stacking energy: -492.747 Base-Backbone interact. energy: -0.007 local terms energy: -447.520822 where: bonds (distance) C4'-P energy: -69.773 bonds (distance) P-C4' energy: -71.646 flat angles C4'-P-C4' energy: -94.117 flat angles P-C4'-P energy: -65.186 tors. eta vs tors. theta energy: -146.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1574.045540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.045540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.045540 (E_RNA) where: Base-Base interactions energy: -1131.321 where: short stacking energy: -441.930 Base-Backbone interact. energy: -0.457 local terms energy: -442.267875 where: bonds (distance) C4'-P energy: -79.551 bonds (distance) P-C4' energy: -80.914 flat angles C4'-P-C4' energy: -85.339 flat angles P-C4'-P energy: -64.988 tors. eta vs tors. theta energy: -131.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1556.114944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.114944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.114944 (E_RNA) where: Base-Base interactions energy: -1141.300 where: short stacking energy: -431.270 Base-Backbone interact. energy: -1.374 local terms energy: -413.441670 where: bonds (distance) C4'-P energy: -82.145 bonds (distance) P-C4' energy: -66.569 flat angles C4'-P-C4' energy: -83.448 flat angles P-C4'-P energy: -57.268 tors. eta vs tors. theta energy: -124.012 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: 1 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1489.495227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.495227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.495227 (E_RNA) where: Base-Base interactions energy: -1099.004 where: short stacking energy: -417.793 Base-Backbone interact. energy: -1.275 local terms energy: -389.216166 where: bonds (distance) C4'-P energy: -75.552 bonds (distance) P-C4' energy: -61.692 flat angles C4'-P-C4' energy: -83.534 flat angles P-C4'-P energy: -53.031 tors. eta vs tors. theta energy: -115.407 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: 7 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1436.992479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.992479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.992479 (E_RNA) where: Base-Base interactions energy: -1023.493 where: short stacking energy: -391.733 Base-Backbone interact. energy: 2.845 local terms energy: -416.344872 where: bonds (distance) C4'-P energy: -71.503 bonds (distance) P-C4' energy: -73.013 flat angles C4'-P-C4' energy: -93.534 flat angles P-C4'-P energy: -64.276 tors. eta vs tors. theta energy: -114.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1421.569624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.569624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.569624 (E_RNA) where: Base-Base interactions energy: -1035.866 where: short stacking energy: -389.639 Base-Backbone interact. energy: -0.278 local terms energy: -385.425164 where: bonds (distance) C4'-P energy: -65.187 bonds (distance) P-C4' energy: -66.905 flat angles C4'-P-C4' energy: -80.674 flat angles P-C4'-P energy: -59.155 tors. eta vs tors. theta energy: -113.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1401.821840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.821840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.821840 (E_RNA) where: Base-Base interactions energy: -1035.552 where: short stacking energy: -404.235 Base-Backbone interact. energy: -0.644 local terms energy: -365.624989 where: bonds (distance) C4'-P energy: -44.337 bonds (distance) P-C4' energy: -59.591 flat angles C4'-P-C4' energy: -77.627 flat angles P-C4'-P energy: -67.504 tors. eta vs tors. theta energy: -116.567 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: 8, replica: 3 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1347.639918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.639918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.639918 (E_RNA) where: Base-Base interactions energy: -977.586 where: short stacking energy: -382.207 Base-Backbone interact. energy: -1.247 local terms energy: -368.806371 where: bonds (distance) C4'-P energy: -58.748 bonds (distance) P-C4' energy: -59.142 flat angles C4'-P-C4' energy: -78.870 flat angles P-C4'-P energy: -55.188 tors. eta vs tors. theta energy: -116.858 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: 8 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1262.302251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.302251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.302251 (E_RNA) where: Base-Base interactions energy: -936.758 where: short stacking energy: -339.520 Base-Backbone interact. energy: -0.752 local terms energy: -324.792112 where: bonds (distance) C4'-P energy: -52.919 bonds (distance) P-C4' energy: -57.949 flat angles C4'-P-C4' energy: -72.798 flat angles P-C4'-P energy: -47.265 tors. eta vs tors. theta energy: -93.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1093.902688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.902688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.902688 (E_RNA) where: Base-Base interactions energy: -794.244 where: short stacking energy: -291.177 Base-Backbone interact. energy: 0.583 local terms energy: -300.241608 where: bonds (distance) C4'-P energy: -75.723 bonds (distance) P-C4' energy: -58.148 flat angles C4'-P-C4' energy: -61.255 flat angles P-C4'-P energy: -28.274 tors. eta vs tors. theta energy: -76.843 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: 288 Temperature: 0.900000 Total energy: -1702.397614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.397614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.397614 (E_RNA) where: Base-Base interactions energy: -1235.787 where: short stacking energy: -474.029 Base-Backbone interact. energy: 0.589 local terms energy: -467.199220 where: bonds (distance) C4'-P energy: -82.935 bonds (distance) P-C4' energy: -80.914 flat angles C4'-P-C4' energy: -90.371 flat angles P-C4'-P energy: -67.751 tors. eta vs tors. theta energy: -145.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1561.107271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.107271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.107271 (E_RNA) where: Base-Base interactions energy: -1127.580 where: short stacking energy: -438.653 Base-Backbone interact. energy: 0.504 local terms energy: -434.031420 where: bonds (distance) C4'-P energy: -77.757 bonds (distance) P-C4' energy: -76.965 flat angles C4'-P-C4' energy: -91.063 flat angles P-C4'-P energy: -62.473 tors. eta vs tors. theta energy: -125.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1575.228595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.228595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.228595 (E_RNA) where: Base-Base interactions energy: -1144.128 where: short stacking energy: -437.487 Base-Backbone interact. energy: 1.381 local terms energy: -432.481156 where: bonds (distance) C4'-P energy: -74.783 bonds (distance) P-C4' energy: -66.310 flat angles C4'-P-C4' energy: -93.427 flat angles P-C4'-P energy: -71.298 tors. eta vs tors. theta energy: -126.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1484.904451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.904451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.904451 (E_RNA) where: Base-Base interactions energy: -1088.048 where: short stacking energy: -406.939 Base-Backbone interact. energy: -1.457 local terms energy: -395.399073 where: bonds (distance) C4'-P energy: -75.164 bonds (distance) P-C4' energy: -61.433 flat angles C4'-P-C4' energy: -80.497 flat angles P-C4'-P energy: -58.279 tors. eta vs tors. theta energy: -120.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1412.849213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.849213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.849213 (E_RNA) where: Base-Base interactions energy: -1036.147 where: short stacking energy: -398.506 Base-Backbone interact. energy: 1.931 local terms energy: -378.633464 where: bonds (distance) C4'-P energy: -70.856 bonds (distance) P-C4' energy: -66.583 flat angles C4'-P-C4' energy: -79.790 flat angles P-C4'-P energy: -51.415 tors. eta vs tors. theta energy: -109.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1414.360040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.360040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.360040 (E_RNA) where: Base-Base interactions energy: -1024.559 where: short stacking energy: -399.675 Base-Backbone interact. energy: 1.023 local terms energy: -390.823723 where: bonds (distance) C4'-P energy: -68.420 bonds (distance) P-C4' energy: -59.667 flat angles C4'-P-C4' energy: -83.611 flat angles P-C4'-P energy: -57.718 tors. eta vs tors. theta energy: -121.407 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: 288 Temperature: 1.200000 Total energy: -1387.929501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.929501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.929501 (E_RNA) where: Base-Base interactions energy: -1011.230 where: short stacking energy: -402.419 Base-Backbone interact. energy: 0.984 local terms energy: -377.684025 where: bonds (distance) C4'-P energy: -68.960 bonds (distance) P-C4' energy: -66.434 flat angles C4'-P-C4' energy: -78.822 flat angles P-C4'-P energy: -45.629 tors. eta vs tors. theta energy: -117.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1330.191809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.191809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.191809 (E_RNA) where: Base-Base interactions energy: -985.051 where: short stacking energy: -388.421 Base-Backbone interact. energy: -1.692 local terms energy: -343.448754 where: bonds (distance) C4'-P energy: -54.166 bonds (distance) P-C4' energy: -54.772 flat angles C4'-P-C4' energy: -73.404 flat angles P-C4'-P energy: -45.743 tors. eta vs tors. theta energy: -115.362 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: 8 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1152.460185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.460185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.460185 (E_RNA) where: Base-Base interactions energy: -810.977 where: short stacking energy: -312.318 Base-Backbone interact. energy: -0.200 local terms energy: -341.283399 where: bonds (distance) C4'-P energy: -72.109 bonds (distance) P-C4' energy: -66.786 flat angles C4'-P-C4' energy: -76.082 flat angles P-C4'-P energy: -43.198 tors. eta vs tors. theta energy: -83.109 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: 6 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1068.486193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.486193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.486193 (E_RNA) where: Base-Base interactions energy: -760.715 where: short stacking energy: -300.595 Base-Backbone interact. energy: -0.265 local terms energy: -307.507058 where: bonds (distance) C4'-P energy: -46.829 bonds (distance) P-C4' energy: -58.326 flat angles C4'-P-C4' energy: -78.082 flat angles P-C4'-P energy: -48.833 tors. eta vs tors. theta energy: -75.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1690.716315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.716315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.716315 (E_RNA) where: Base-Base interactions energy: -1234.224 where: short stacking energy: -488.305 Base-Backbone interact. energy: -0.712 local terms energy: -455.780649 where: bonds (distance) C4'-P energy: -70.867 bonds (distance) P-C4' energy: -77.571 flat angles C4'-P-C4' energy: -94.846 flat angles P-C4'-P energy: -64.864 tors. eta vs tors. theta energy: -147.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1562.370811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.370811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.370811 (E_RNA) where: Base-Base interactions energy: -1128.202 where: short stacking energy: -443.267 Base-Backbone interact. energy: 0.231 local terms energy: -434.399531 where: bonds (distance) C4'-P energy: -74.983 bonds (distance) P-C4' energy: -78.635 flat angles C4'-P-C4' energy: -84.326 flat angles P-C4'-P energy: -62.352 tors. eta vs tors. theta energy: -134.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1552.288933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.288933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.288933 (E_RNA) where: Base-Base interactions energy: -1148.162 where: short stacking energy: -423.274 Base-Backbone interact. energy: -0.978 local terms energy: -403.149411 where: bonds (distance) C4'-P energy: -68.664 bonds (distance) P-C4' energy: -69.547 flat angles C4'-P-C4' energy: -85.425 flat angles P-C4'-P energy: -61.399 tors. eta vs tors. theta energy: -118.114 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: 1 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1490.948417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.948417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.948417 (E_RNA) where: Base-Base interactions energy: -1069.404 where: short stacking energy: -404.004 Base-Backbone interact. energy: 1.217 local terms energy: -422.762214 where: bonds (distance) C4'-P energy: -80.127 bonds (distance) P-C4' energy: -83.113 flat angles C4'-P-C4' energy: -84.474 flat angles P-C4'-P energy: -62.241 tors. eta vs tors. theta energy: -112.808 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: 7 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1407.218922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.218922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.218922 (E_RNA) where: Base-Base interactions energy: -1032.512 where: short stacking energy: -390.966 Base-Backbone interact. energy: -0.787 local terms energy: -373.920182 where: bonds (distance) C4'-P energy: -68.297 bonds (distance) P-C4' energy: -62.446 flat angles C4'-P-C4' energy: -81.676 flat angles P-C4'-P energy: -52.165 tors. eta vs tors. theta energy: -109.336 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: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1388.766798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.766798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.766798 (E_RNA) where: Base-Base interactions energy: -1024.352 where: short stacking energy: -391.493 Base-Backbone interact. energy: 2.467 local terms energy: -366.882101 where: bonds (distance) C4'-P energy: -50.035 bonds (distance) P-C4' energy: -71.442 flat angles C4'-P-C4' energy: -89.376 flat angles P-C4'-P energy: -48.763 tors. eta vs tors. theta energy: -107.266 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: 2 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1400.382695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.382695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.382695 (E_RNA) where: Base-Base interactions energy: -1010.560 where: short stacking energy: -389.708 Base-Backbone interact. energy: 0.550 local terms energy: -390.373151 where: bonds (distance) C4'-P energy: -71.299 bonds (distance) P-C4' energy: -66.486 flat angles C4'-P-C4' energy: -84.850 flat angles P-C4'-P energy: -49.739 tors. eta vs tors. theta energy: -117.999 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: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1309.455730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.455730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.455730 (E_RNA) where: Base-Base interactions energy: -937.146 where: short stacking energy: -371.927 Base-Backbone interact. energy: -1.280 local terms energy: -371.029425 where: bonds (distance) C4'-P energy: -54.369 bonds (distance) P-C4' energy: -74.671 flat angles C4'-P-C4' energy: -82.326 flat angles P-C4'-P energy: -50.909 tors. eta vs tors. theta energy: -108.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1156.325003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.325003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.325003 (E_RNA) where: Base-Base interactions energy: -808.089 where: short stacking energy: -304.142 Base-Backbone interact. energy: -1.381 local terms energy: -346.854810 where: bonds (distance) C4'-P energy: -65.505 bonds (distance) P-C4' energy: -60.964 flat angles C4'-P-C4' energy: -75.874 flat angles P-C4'-P energy: -57.233 tors. eta vs tors. theta energy: -87.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -975.821547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.821547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.821547 (E_RNA) where: Base-Base interactions energy: -666.436 where: short stacking energy: -275.414 Base-Backbone interact. energy: 0.992 local terms energy: -310.377987 where: bonds (distance) C4'-P energy: -66.081 bonds (distance) P-C4' energy: -63.712 flat angles C4'-P-C4' energy: -67.417 flat angles P-C4'-P energy: -42.078 tors. eta vs tors. theta energy: -71.091 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: 5 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1693.590556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.590556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.590556 (E_RNA) where: Base-Base interactions energy: -1240.230 where: short stacking energy: -483.544 Base-Backbone interact. energy: -0.610 local terms energy: -452.750414 where: bonds (distance) C4'-P energy: -76.511 bonds (distance) P-C4' energy: -68.590 flat angles C4'-P-C4' energy: -92.502 flat angles P-C4'-P energy: -68.924 tors. eta vs tors. theta energy: -146.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1571.482822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.482822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.482822 (E_RNA) where: Base-Base interactions energy: -1129.114 where: short stacking energy: -457.489 Base-Backbone interact. energy: -0.570 local terms energy: -441.798925 where: bonds (distance) C4'-P energy: -77.923 bonds (distance) P-C4' energy: -77.498 flat angles C4'-P-C4' energy: -88.237 flat angles P-C4'-P energy: -62.773 tors. eta vs tors. theta energy: -135.368 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: 9 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1550.573211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.573211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.573211 (E_RNA) where: Base-Base interactions energy: -1134.416 where: short stacking energy: -434.575 Base-Backbone interact. energy: 1.144 local terms energy: -417.301887 where: bonds (distance) C4'-P energy: -69.629 bonds (distance) P-C4' energy: -72.329 flat angles C4'-P-C4' energy: -89.823 flat angles P-C4'-P energy: -59.648 tors. eta vs tors. theta energy: -125.873 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: 1 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1489.164933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.164933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.164933 (E_RNA) where: Base-Base interactions energy: -1104.065 where: short stacking energy: -409.536 Base-Backbone interact. energy: 1.825 local terms energy: -386.924954 where: bonds (distance) C4'-P energy: -53.555 bonds (distance) P-C4' energy: -69.695 flat angles C4'-P-C4' energy: -86.862 flat angles P-C4'-P energy: -58.766 tors. eta vs tors. theta energy: -118.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1434.634885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.634885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.634885 (E_RNA) where: Base-Base interactions energy: -1048.118 where: short stacking energy: -415.972 Base-Backbone interact. energy: -0.524 local terms energy: -385.992193 where: bonds (distance) C4'-P energy: -67.165 bonds (distance) P-C4' energy: -64.825 flat angles C4'-P-C4' energy: -80.020 flat angles P-C4'-P energy: -51.455 tors. eta vs tors. theta energy: -122.527 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: 7 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1405.357814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.357814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.357814 (E_RNA) where: Base-Base interactions energy: -1031.895 where: short stacking energy: -398.277 Base-Backbone interact. energy: -0.268 local terms energy: -373.195145 where: bonds (distance) C4'-P energy: -71.805 bonds (distance) P-C4' energy: -77.600 flat angles C4'-P-C4' energy: -79.012 flat angles P-C4'-P energy: -40.986 tors. eta vs tors. theta energy: -103.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1402.824797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.824797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.824797 (E_RNA) where: Base-Base interactions energy: -1019.335 where: short stacking energy: -392.399 Base-Backbone interact. energy: 0.047 local terms energy: -383.536441 where: bonds (distance) C4'-P energy: -68.807 bonds (distance) P-C4' energy: -65.852 flat angles C4'-P-C4' energy: -82.927 flat angles P-C4'-P energy: -49.348 tors. eta vs tors. theta energy: -116.604 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: 290 Temperature: 1.250000 Total energy: -1306.924432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.924432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.924432 (E_RNA) where: Base-Base interactions energy: -941.281 where: short stacking energy: -371.201 Base-Backbone interact. energy: 1.091 local terms energy: -366.733806 where: bonds (distance) C4'-P energy: -62.046 bonds (distance) P-C4' energy: -70.384 flat angles C4'-P-C4' energy: -79.323 flat angles P-C4'-P energy: -49.397 tors. eta vs tors. theta energy: -105.584 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: 9, replica: 8 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1143.108538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.108538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.108538 (E_RNA) where: Base-Base interactions energy: -840.318 where: short stacking energy: -333.564 Base-Backbone interact. energy: -1.830 local terms energy: -300.960500 where: bonds (distance) C4'-P energy: -59.819 bonds (distance) P-C4' energy: -38.382 flat angles C4'-P-C4' energy: -69.278 flat angles P-C4'-P energy: -40.912 tors. eta vs tors. theta energy: -92.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -999.547987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.547987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.547987 (E_RNA) where: Base-Base interactions energy: -733.609 where: short stacking energy: -287.150 Base-Backbone interact. energy: -1.498 local terms energy: -264.441282 where: bonds (distance) C4'-P energy: -40.588 bonds (distance) P-C4' energy: -56.250 flat angles C4'-P-C4' energy: -62.541 flat angles P-C4'-P energy: -25.975 tors. eta vs tors. theta energy: -79.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1702.692424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.692424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.692424 (E_RNA) where: Base-Base interactions energy: -1235.758 where: short stacking energy: -484.017 Base-Backbone interact. energy: -0.533 local terms energy: -466.401453 where: bonds (distance) C4'-P energy: -70.797 bonds (distance) P-C4' energy: -80.510 flat angles C4'-P-C4' energy: -93.121 flat angles P-C4'-P energy: -71.514 tors. eta vs tors. theta energy: -150.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1571.953369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.953369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.953369 (E_RNA) where: Base-Base interactions energy: -1151.663 where: short stacking energy: -432.107 Base-Backbone interact. energy: -2.361 local terms energy: -417.928789 where: bonds (distance) C4'-P energy: -64.302 bonds (distance) P-C4' energy: -81.691 flat angles C4'-P-C4' energy: -90.470 flat angles P-C4'-P energy: -57.857 tors. eta vs tors. theta energy: -123.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1561.226936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.226936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.226936 (E_RNA) where: Base-Base interactions energy: -1131.723 where: short stacking energy: -456.230 Base-Backbone interact. energy: -0.200 local terms energy: -429.304444 where: bonds (distance) C4'-P energy: -69.722 bonds (distance) P-C4' energy: -76.310 flat angles C4'-P-C4' energy: -86.129 flat angles P-C4'-P energy: -64.917 tors. eta vs tors. theta energy: -132.227 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: 291 Temperature: 1.050000 Total energy: -1484.456483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.456483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.456483 (E_RNA) where: Base-Base interactions energy: -1091.987 where: short stacking energy: -417.061 Base-Backbone interact. energy: 2.732 local terms energy: -395.201490 where: bonds (distance) C4'-P energy: -58.447 bonds (distance) P-C4' energy: -64.449 flat angles C4'-P-C4' energy: -88.211 flat angles P-C4'-P energy: -64.392 tors. eta vs tors. theta energy: -119.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1409.673820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.673820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.673820 (E_RNA) where: Base-Base interactions energy: -1007.744 where: short stacking energy: -397.363 Base-Backbone interact. energy: 0.557 local terms energy: -402.487711 where: bonds (distance) C4'-P energy: -70.122 bonds (distance) P-C4' energy: -67.268 flat angles C4'-P-C4' energy: -89.506 flat angles P-C4'-P energy: -57.441 tors. eta vs tors. theta energy: -118.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1458.173991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.173991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.173991 (E_RNA) where: Base-Base interactions energy: -1066.295 where: short stacking energy: -420.609 Base-Backbone interact. energy: 0.034 local terms energy: -391.913321 where: bonds (distance) C4'-P energy: -65.400 bonds (distance) P-C4' energy: -56.108 flat angles C4'-P-C4' energy: -84.009 flat angles P-C4'-P energy: -58.970 tors. eta vs tors. theta energy: -127.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1357.506508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.506508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.506508 (E_RNA) where: Base-Base interactions energy: -1006.955 where: short stacking energy: -374.448 Base-Backbone interact. energy: -0.996 local terms energy: -349.555632 where: bonds (distance) C4'-P energy: -61.465 bonds (distance) P-C4' energy: -66.779 flat angles C4'-P-C4' energy: -74.396 flat angles P-C4'-P energy: -39.041 tors. eta vs tors. theta energy: -107.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1324.945491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.945491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.945491 (E_RNA) where: Base-Base interactions energy: -955.259 where: short stacking energy: -353.731 Base-Backbone interact. energy: -0.237 local terms energy: -369.449138 where: bonds (distance) C4'-P energy: -69.479 bonds (distance) P-C4' energy: -63.337 flat angles C4'-P-C4' energy: -78.460 flat angles P-C4'-P energy: -48.420 tors. eta vs tors. theta energy: -109.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1137.819565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.819565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.819565 (E_RNA) where: Base-Base interactions energy: -825.070 where: short stacking energy: -326.268 Base-Backbone interact. energy: -0.469 local terms energy: -312.280429 where: bonds (distance) C4'-P energy: -51.755 bonds (distance) P-C4' energy: -57.852 flat angles C4'-P-C4' energy: -70.834 flat angles P-C4'-P energy: -45.487 tors. eta vs tors. theta energy: -86.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1048.425663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.425663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.425663 (E_RNA) where: Base-Base interactions energy: -741.575 where: short stacking energy: -293.636 Base-Backbone interact. energy: -1.797 local terms energy: -305.054034 where: bonds (distance) C4'-P energy: -60.221 bonds (distance) P-C4' energy: -58.626 flat angles C4'-P-C4' energy: -60.840 flat angles P-C4'-P energy: -51.306 tors. eta vs tors. theta energy: -74.060 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: 1, replica: 5 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1705.890485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.890485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.890485 (E_RNA) where: Base-Base interactions energy: -1245.058 where: short stacking energy: -499.006 Base-Backbone interact. energy: 0.677 local terms energy: -461.509861 where: bonds (distance) C4'-P energy: -78.227 bonds (distance) P-C4' energy: -69.489 flat angles C4'-P-C4' energy: -96.697 flat angles P-C4'-P energy: -66.480 tors. eta vs tors. theta energy: -150.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1563.840550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.840550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.840550 (E_RNA) where: Base-Base interactions energy: -1151.169 where: short stacking energy: -452.901 Base-Backbone interact. energy: 9.374 local terms energy: -422.045960 where: bonds (distance) C4'-P energy: -68.341 bonds (distance) P-C4' energy: -79.702 flat angles C4'-P-C4' energy: -86.691 flat angles P-C4'-P energy: -59.741 tors. eta vs tors. theta energy: -127.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1540.094216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.094216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.094216 (E_RNA) where: Base-Base interactions energy: -1111.610 where: short stacking energy: -439.288 Base-Backbone interact. energy: -0.679 local terms energy: -427.805573 where: bonds (distance) C4'-P energy: -76.286 bonds (distance) P-C4' energy: -77.372 flat angles C4'-P-C4' energy: -92.400 flat angles P-C4'-P energy: -51.344 tors. eta vs tors. theta energy: -130.403 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: 1 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1482.241870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.241870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.241870 (E_RNA) where: Base-Base interactions energy: -1075.602 where: short stacking energy: -413.008 Base-Backbone interact. energy: 2.310 local terms energy: -408.949922 where: bonds (distance) C4'-P energy: -71.827 bonds (distance) P-C4' energy: -77.291 flat angles C4'-P-C4' energy: -78.523 flat angles P-C4'-P energy: -62.162 tors. eta vs tors. theta energy: -119.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1457.135408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.135408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.135408 (E_RNA) where: Base-Base interactions energy: -1066.768 where: short stacking energy: -409.495 Base-Backbone interact. energy: -0.730 local terms energy: -389.637817 where: bonds (distance) C4'-P energy: -62.794 bonds (distance) P-C4' energy: -62.522 flat angles C4'-P-C4' energy: -89.033 flat angles P-C4'-P energy: -62.349 tors. eta vs tors. theta energy: -112.940 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: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1386.025624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.025624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.025624 (E_RNA) where: Base-Base interactions energy: -1010.116 where: short stacking energy: -388.973 Base-Backbone interact. energy: -0.082 local terms energy: -375.827844 where: bonds (distance) C4'-P energy: -69.718 bonds (distance) P-C4' energy: -76.496 flat angles C4'-P-C4' energy: -71.084 flat angles P-C4'-P energy: -43.486 tors. eta vs tors. theta energy: -115.044 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: 7 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1361.726191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.726191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.726191 (E_RNA) where: Base-Base interactions energy: -994.613 where: short stacking energy: -376.832 Base-Backbone interact. energy: -0.453 local terms energy: -366.659955 where: bonds (distance) C4'-P energy: -68.296 bonds (distance) P-C4' energy: -64.178 flat angles C4'-P-C4' energy: -78.471 flat angles P-C4'-P energy: -50.750 tors. eta vs tors. theta energy: -104.964 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: 3 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1334.499572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.499572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.499572 (E_RNA) where: Base-Base interactions energy: -961.690 where: short stacking energy: -362.529 Base-Backbone interact. energy: 0.325 local terms energy: -373.134426 where: bonds (distance) C4'-P energy: -64.514 bonds (distance) P-C4' energy: -60.454 flat angles C4'-P-C4' energy: -76.880 flat angles P-C4'-P energy: -56.260 tors. eta vs tors. theta energy: -115.027 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: 8 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1143.504498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.504498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.504498 (E_RNA) where: Base-Base interactions energy: -838.074 where: short stacking energy: -323.076 Base-Backbone interact. energy: -0.992 local terms energy: -304.438641 where: bonds (distance) C4'-P energy: -40.893 bonds (distance) P-C4' energy: -53.834 flat angles C4'-P-C4' energy: -72.878 flat angles P-C4'-P energy: -46.360 tors. eta vs tors. theta energy: -90.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1033.479642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.479642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.479642 (E_RNA) where: Base-Base interactions energy: -720.175 where: short stacking energy: -294.367 Base-Backbone interact. energy: 7.064 local terms energy: -320.369257 where: bonds (distance) C4'-P energy: -51.469 bonds (distance) P-C4' energy: -64.645 flat angles C4'-P-C4' energy: -74.925 flat angles P-C4'-P energy: -52.871 tors. eta vs tors. theta energy: -76.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1703.981338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.981338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.981338 (E_RNA) where: Base-Base interactions energy: -1233.858 where: short stacking energy: -474.957 Base-Backbone interact. energy: 1.510 local terms energy: -471.632734 where: bonds (distance) C4'-P energy: -79.457 bonds (distance) P-C4' energy: -76.050 flat angles C4'-P-C4' energy: -98.322 flat angles P-C4'-P energy: -68.258 tors. eta vs tors. theta energy: -149.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1581.135172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.135172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.135172 (E_RNA) where: Base-Base interactions energy: -1146.035 where: short stacking energy: -429.323 Base-Backbone interact. energy: -0.918 local terms energy: -434.181729 where: bonds (distance) C4'-P energy: -80.365 bonds (distance) P-C4' energy: -76.431 flat angles C4'-P-C4' energy: -85.421 flat angles P-C4'-P energy: -67.092 tors. eta vs tors. theta energy: -124.874 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: 10 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1537.189010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.189010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.189010 (E_RNA) where: Base-Base interactions energy: -1109.636 where: short stacking energy: -433.626 Base-Backbone interact. energy: -0.447 local terms energy: -427.106036 where: bonds (distance) C4'-P energy: -73.764 bonds (distance) P-C4' energy: -66.772 flat angles C4'-P-C4' energy: -93.487 flat angles P-C4'-P energy: -59.578 tors. eta vs tors. theta energy: -133.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1479.970926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.970926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.970926 (E_RNA) where: Base-Base interactions energy: -1097.475 where: short stacking energy: -403.309 Base-Backbone interact. energy: -0.880 local terms energy: -381.616016 where: bonds (distance) C4'-P energy: -63.083 bonds (distance) P-C4' energy: -62.536 flat angles C4'-P-C4' energy: -77.340 flat angles P-C4'-P energy: -59.488 tors. eta vs tors. theta energy: -119.169 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: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1475.175739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.175739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.175739 (E_RNA) where: Base-Base interactions energy: -1064.836 where: short stacking energy: -411.176 Base-Backbone interact. energy: -0.478 local terms energy: -409.862164 where: bonds (distance) C4'-P energy: -69.142 bonds (distance) P-C4' energy: -68.553 flat angles C4'-P-C4' energy: -89.326 flat angles P-C4'-P energy: -62.996 tors. eta vs tors. theta energy: -119.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1376.755538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.755538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.755538 (E_RNA) where: Base-Base interactions energy: -981.727 where: short stacking energy: -387.172 Base-Backbone interact. energy: -0.212 local terms energy: -394.815779 where: bonds (distance) C4'-P energy: -69.423 bonds (distance) P-C4' energy: -67.973 flat angles C4'-P-C4' energy: -85.511 flat angles P-C4'-P energy: -56.316 tors. eta vs tors. theta energy: -115.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1368.568723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.568723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.568723 (E_RNA) where: Base-Base interactions energy: -1005.165 where: short stacking energy: -386.311 Base-Backbone interact. energy: -1.116 local terms energy: -362.286957 where: bonds (distance) C4'-P energy: -56.881 bonds (distance) P-C4' energy: -70.386 flat angles C4'-P-C4' energy: -79.415 flat angles P-C4'-P energy: -43.908 tors. eta vs tors. theta energy: -111.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1324.642301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.642301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.642301 (E_RNA) where: Base-Base interactions energy: -950.892 where: short stacking energy: -359.235 Base-Backbone interact. energy: 0.635 local terms energy: -374.385924 where: bonds (distance) C4'-P energy: -81.764 bonds (distance) P-C4' energy: -62.104 flat angles C4'-P-C4' energy: -73.203 flat angles P-C4'-P energy: -58.322 tors. eta vs tors. theta energy: -98.994 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: 8 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1232.741202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.741202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.741202 (E_RNA) where: Base-Base interactions energy: -898.249 where: short stacking energy: -339.982 Base-Backbone interact. energy: -0.232 local terms energy: -334.260242 where: bonds (distance) C4'-P energy: -67.155 bonds (distance) P-C4' energy: -60.263 flat angles C4'-P-C4' energy: -64.468 flat angles P-C4'-P energy: -48.604 tors. eta vs tors. theta energy: -93.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1053.563550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.563550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.563550 (E_RNA) where: Base-Base interactions energy: -764.988 where: short stacking energy: -324.999 Base-Backbone interact. energy: -1.355 local terms energy: -287.220553 where: bonds (distance) C4'-P energy: -62.958 bonds (distance) P-C4' energy: -46.116 flat angles C4'-P-C4' energy: -63.346 flat angles P-C4'-P energy: -33.871 tors. eta vs tors. theta energy: -80.930 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: 5 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1703.072072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.072072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.072072 (E_RNA) where: Base-Base interactions energy: -1245.138 where: short stacking energy: -491.316 Base-Backbone interact. energy: 0.492 local terms energy: -458.426077 where: bonds (distance) C4'-P energy: -73.555 bonds (distance) P-C4' energy: -72.052 flat angles C4'-P-C4' energy: -90.778 flat angles P-C4'-P energy: -74.100 tors. eta vs tors. theta energy: -147.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1565.565740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.565740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.565740 (E_RNA) where: Base-Base interactions energy: -1158.106 where: short stacking energy: -429.976 Base-Backbone interact. energy: 0.336 local terms energy: -407.794934 where: bonds (distance) C4'-P energy: -68.334 bonds (distance) P-C4' energy: -67.875 flat angles C4'-P-C4' energy: -89.208 flat angles P-C4'-P energy: -59.659 tors. eta vs tors. theta energy: -122.719 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: 3, replica: 10 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1548.493061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.493061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.493061 (E_RNA) where: Base-Base interactions energy: -1120.831 where: short stacking energy: -437.170 Base-Backbone interact. energy: -0.253 local terms energy: -427.409744 where: bonds (distance) C4'-P energy: -70.651 bonds (distance) P-C4' energy: -74.336 flat angles C4'-P-C4' energy: -95.018 flat angles P-C4'-P energy: -53.985 tors. eta vs tors. theta energy: -133.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1473.807194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.807194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.807194 (E_RNA) where: Base-Base interactions energy: -1077.928 where: short stacking energy: -404.910 Base-Backbone interact. energy: -2.207 local terms energy: -393.672259 where: bonds (distance) C4'-P energy: -70.308 bonds (distance) P-C4' energy: -67.742 flat angles C4'-P-C4' energy: -85.169 flat angles P-C4'-P energy: -52.292 tors. eta vs tors. theta energy: -118.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1448.292712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.292712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.292712 (E_RNA) where: Base-Base interactions energy: -1047.335 where: short stacking energy: -409.924 Base-Backbone interact. energy: -0.971 local terms energy: -399.986484 where: bonds (distance) C4'-P energy: -63.063 bonds (distance) P-C4' energy: -75.436 flat angles C4'-P-C4' energy: -80.069 flat angles P-C4'-P energy: -57.994 tors. eta vs tors. theta energy: -123.425 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: 4 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1377.490804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.490804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.490804 (E_RNA) where: Base-Base interactions energy: -981.067 where: short stacking energy: -375.175 Base-Backbone interact. energy: -0.640 local terms energy: -395.784349 where: bonds (distance) C4'-P energy: -79.849 bonds (distance) P-C4' energy: -65.175 flat angles C4'-P-C4' energy: -86.182 flat angles P-C4'-P energy: -57.273 tors. eta vs tors. theta energy: -107.306 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: 7 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1359.036996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.036996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.036996 (E_RNA) where: Base-Base interactions energy: -997.657 where: short stacking energy: -379.139 Base-Backbone interact. energy: -0.654 local terms energy: -360.726163 where: bonds (distance) C4'-P energy: -59.221 bonds (distance) P-C4' energy: -78.198 flat angles C4'-P-C4' energy: -70.267 flat angles P-C4'-P energy: -49.616 tors. eta vs tors. theta energy: -103.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1310.446639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.446639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.446639 (E_RNA) where: Base-Base interactions energy: -967.759 where: short stacking energy: -372.689 Base-Backbone interact. energy: -0.092 local terms energy: -342.595785 where: bonds (distance) C4'-P energy: -66.512 bonds (distance) P-C4' energy: -59.011 flat angles C4'-P-C4' energy: -64.059 flat angles P-C4'-P energy: -49.047 tors. eta vs tors. theta energy: -103.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1219.519329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.519329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.519329 (E_RNA) where: Base-Base interactions energy: -872.597 where: short stacking energy: -342.402 Base-Backbone interact. energy: -0.101 local terms energy: -346.822138 where: bonds (distance) C4'-P energy: -58.887 bonds (distance) P-C4' energy: -61.081 flat angles C4'-P-C4' energy: -68.463 flat angles P-C4'-P energy: -51.982 tors. eta vs tors. theta energy: -106.409 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: 6 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -952.847292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.847292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.847292 (E_RNA) where: Base-Base interactions energy: -648.432 where: short stacking energy: -268.941 Base-Backbone interact. energy: -0.712 local terms energy: -303.703064 where: bonds (distance) C4'-P energy: -61.238 bonds (distance) P-C4' energy: -77.782 flat angles C4'-P-C4' energy: -60.852 flat angles P-C4'-P energy: -45.001 tors. eta vs tors. theta energy: -58.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1709.732726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.732726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.732726 (E_RNA) where: Base-Base interactions energy: -1252.060 where: short stacking energy: -487.049 Base-Backbone interact. energy: -1.006 local terms energy: -456.665996 where: bonds (distance) C4'-P energy: -71.163 bonds (distance) P-C4' energy: -71.867 flat angles C4'-P-C4' energy: -93.156 flat angles P-C4'-P energy: -73.679 tors. eta vs tors. theta energy: -146.800 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: 10 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1566.977714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.977714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.977714 (E_RNA) where: Base-Base interactions energy: -1146.739 where: short stacking energy: -459.956 Base-Backbone interact. energy: 1.215 local terms energy: -421.452945 where: bonds (distance) C4'-P energy: -57.705 bonds (distance) P-C4' energy: -74.151 flat angles C4'-P-C4' energy: -88.824 flat angles P-C4'-P energy: -67.578 tors. eta vs tors. theta energy: -133.194 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: 9 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1539.083891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.083891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.083891 (E_RNA) where: Base-Base interactions energy: -1138.381 where: short stacking energy: -431.657 Base-Backbone interact. energy: -2.037 local terms energy: -398.665922 where: bonds (distance) C4'-P energy: -66.599 bonds (distance) P-C4' energy: -63.144 flat angles C4'-P-C4' energy: -88.279 flat angles P-C4'-P energy: -63.388 tors. eta vs tors. theta energy: -117.256 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: 2 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1467.651931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.651931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.651931 (E_RNA) where: Base-Base interactions energy: -1052.916 where: short stacking energy: -414.341 Base-Backbone interact. energy: 0.723 local terms energy: -415.458098 where: bonds (distance) C4'-P energy: -65.767 bonds (distance) P-C4' energy: -84.360 flat angles C4'-P-C4' energy: -88.345 flat angles P-C4'-P energy: -55.590 tors. eta vs tors. theta energy: -121.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1477.668268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.668268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.668268 (E_RNA) where: Base-Base interactions energy: -1103.590 where: short stacking energy: -411.288 Base-Backbone interact. energy: -0.877 local terms energy: -373.201900 where: bonds (distance) C4'-P energy: -63.944 bonds (distance) P-C4' energy: -63.458 flat angles C4'-P-C4' energy: -77.225 flat angles P-C4'-P energy: -49.298 tors. eta vs tors. theta energy: -119.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1386.766259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.766259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.766259 (E_RNA) where: Base-Base interactions energy: -1008.150 where: short stacking energy: -385.087 Base-Backbone interact. energy: 0.825 local terms energy: -379.442181 where: bonds (distance) C4'-P energy: -66.743 bonds (distance) P-C4' energy: -69.769 flat angles C4'-P-C4' energy: -78.766 flat angles P-C4'-P energy: -54.974 tors. eta vs tors. theta energy: -109.190 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: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1338.464744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.464744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.464744 (E_RNA) where: Base-Base interactions energy: -971.376 where: short stacking energy: -371.222 Base-Backbone interact. energy: -1.004 local terms energy: -366.085042 where: bonds (distance) C4'-P energy: -67.836 bonds (distance) P-C4' energy: -66.882 flat angles C4'-P-C4' energy: -79.570 flat angles P-C4'-P energy: -51.513 tors. eta vs tors. theta energy: -100.283 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: 3 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1281.100424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.100424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.100424 (E_RNA) where: Base-Base interactions energy: -919.262 where: short stacking energy: -372.334 Base-Backbone interact. energy: -0.888 local terms energy: -360.950466 where: bonds (distance) C4'-P energy: -60.587 bonds (distance) P-C4' energy: -59.687 flat angles C4'-P-C4' energy: -74.616 flat angles P-C4'-P energy: -50.205 tors. eta vs tors. theta energy: -115.856 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: 9, replica: 8 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1172.917301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.917301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.917301 (E_RNA) where: Base-Base interactions energy: -831.392 where: short stacking energy: -330.495 Base-Backbone interact. energy: -0.263 local terms energy: -341.262531 where: bonds (distance) C4'-P energy: -65.694 bonds (distance) P-C4' energy: -54.499 flat angles C4'-P-C4' energy: -83.349 flat angles P-C4'-P energy: -45.274 tors. eta vs tors. theta energy: -92.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -986.087753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.087753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.087753 (E_RNA) where: Base-Base interactions energy: -714.226 where: short stacking energy: -292.900 Base-Backbone interact. energy: 1.066 local terms energy: -272.927565 where: bonds (distance) C4'-P energy: -54.241 bonds (distance) P-C4' energy: -48.787 flat angles C4'-P-C4' energy: -61.693 flat angles P-C4'-P energy: -37.675 tors. eta vs tors. theta energy: -70.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1718.478890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.478890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.478890 (E_RNA) where: Base-Base interactions energy: -1251.266 where: short stacking energy: -482.842 Base-Backbone interact. energy: -0.551 local terms energy: -466.661575 where: bonds (distance) C4'-P energy: -73.772 bonds (distance) P-C4' energy: -75.612 flat angles C4'-P-C4' energy: -98.573 flat angles P-C4'-P energy: -71.589 tors. eta vs tors. theta energy: -147.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1566.307245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.307245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.307245 (E_RNA) where: Base-Base interactions energy: -1135.882 where: short stacking energy: -443.998 Base-Backbone interact. energy: -0.670 local terms energy: -429.755017 where: bonds (distance) C4'-P energy: -73.914 bonds (distance) P-C4' energy: -74.072 flat angles C4'-P-C4' energy: -88.654 flat angles P-C4'-P energy: -63.622 tors. eta vs tors. theta energy: -129.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1540.597119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.597119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.597119 (E_RNA) where: Base-Base interactions energy: -1126.684 where: short stacking energy: -436.440 Base-Backbone interact. energy: -0.401 local terms energy: -413.512469 where: bonds (distance) C4'-P energy: -69.566 bonds (distance) P-C4' energy: -65.408 flat angles C4'-P-C4' energy: -89.488 flat angles P-C4'-P energy: -59.734 tors. eta vs tors. theta energy: -129.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1489.003171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.003171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.003171 (E_RNA) where: Base-Base interactions energy: -1078.075 where: short stacking energy: -438.093 Base-Backbone interact. energy: -1.512 local terms energy: -409.415764 where: bonds (distance) C4'-P energy: -62.795 bonds (distance) P-C4' energy: -69.546 flat angles C4'-P-C4' energy: -81.659 flat angles P-C4'-P energy: -68.157 tors. eta vs tors. theta energy: -127.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1437.851716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.851716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.851716 (E_RNA) where: Base-Base interactions energy: -1065.769 where: short stacking energy: -394.027 Base-Backbone interact. energy: -1.973 local terms energy: -370.110422 where: bonds (distance) C4'-P energy: -61.377 bonds (distance) P-C4' energy: -62.716 flat angles C4'-P-C4' energy: -90.590 flat angles P-C4'-P energy: -45.078 tors. eta vs tors. theta energy: -110.349 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: 7 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1380.665436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.665436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.665436 (E_RNA) where: Base-Base interactions energy: -1017.496 where: short stacking energy: -381.988 Base-Backbone interact. energy: 2.211 local terms energy: -365.380586 where: bonds (distance) C4'-P energy: -70.041 bonds (distance) P-C4' energy: -58.639 flat angles C4'-P-C4' energy: -69.677 flat angles P-C4'-P energy: -60.100 tors. eta vs tors. theta energy: -106.924 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: 296 Temperature: 1.200000 Total energy: -1295.699115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.699115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.699115 (E_RNA) where: Base-Base interactions energy: -950.537 where: short stacking energy: -381.522 Base-Backbone interact. energy: 4.193 local terms energy: -349.354887 where: bonds (distance) C4'-P energy: -59.618 bonds (distance) P-C4' energy: -65.137 flat angles C4'-P-C4' energy: -79.286 flat angles P-C4'-P energy: -43.736 tors. eta vs tors. theta energy: -101.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1318.922713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.922713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.922713 (E_RNA) where: Base-Base interactions energy: -963.273 where: short stacking energy: -370.341 Base-Backbone interact. energy: 2.186 local terms energy: -357.835428 where: bonds (distance) C4'-P energy: -53.044 bonds (distance) P-C4' energy: -65.309 flat angles C4'-P-C4' energy: -80.653 flat angles P-C4'-P energy: -60.469 tors. eta vs tors. theta energy: -98.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1200.693575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.693575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.693575 (E_RNA) where: Base-Base interactions energy: -861.550 where: short stacking energy: -337.215 Base-Backbone interact. energy: 2.253 local terms energy: -341.396886 where: bonds (distance) C4'-P energy: -58.515 bonds (distance) P-C4' energy: -70.184 flat angles C4'-P-C4' energy: -67.004 flat angles P-C4'-P energy: -55.774 tors. eta vs tors. theta energy: -89.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1017.127060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.127060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.127060 (E_RNA) where: Base-Base interactions energy: -728.687 where: short stacking energy: -299.780 Base-Backbone interact. energy: 0.333 local terms energy: -288.772410 where: bonds (distance) C4'-P energy: -61.108 bonds (distance) P-C4' energy: -60.532 flat angles C4'-P-C4' energy: -63.304 flat angles P-C4'-P energy: -33.345 tors. eta vs tors. theta energy: -70.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1707.061646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.061646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.061646 (E_RNA) where: Base-Base interactions energy: -1244.356 where: short stacking energy: -483.907 Base-Backbone interact. energy: 1.328 local terms energy: -464.033278 where: bonds (distance) C4'-P energy: -82.477 bonds (distance) P-C4' energy: -72.942 flat angles C4'-P-C4' energy: -92.194 flat angles P-C4'-P energy: -71.784 tors. eta vs tors. theta energy: -144.636 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: 2, replica: 10 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1574.136297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.136297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.136297 (E_RNA) where: Base-Base interactions energy: -1141.446 where: short stacking energy: -451.699 Base-Backbone interact. energy: -0.719 local terms energy: -431.970663 where: bonds (distance) C4'-P energy: -84.649 bonds (distance) P-C4' energy: -80.721 flat angles C4'-P-C4' energy: -80.904 flat angles P-C4'-P energy: -52.593 tors. eta vs tors. theta energy: -133.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1554.192254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.192254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.192254 (E_RNA) where: Base-Base interactions energy: -1126.823 where: short stacking energy: -422.819 Base-Backbone interact. energy: 0.260 local terms energy: -427.629274 where: bonds (distance) C4'-P energy: -70.845 bonds (distance) P-C4' energy: -76.883 flat angles C4'-P-C4' energy: -93.034 flat angles P-C4'-P energy: -63.649 tors. eta vs tors. theta energy: -123.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1505.733777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.733777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.733777 (E_RNA) where: Base-Base interactions energy: -1096.674 where: short stacking energy: -425.944 Base-Backbone interact. energy: -1.430 local terms energy: -407.629562 where: bonds (distance) C4'-P energy: -55.822 bonds (distance) P-C4' energy: -67.337 flat angles C4'-P-C4' energy: -94.961 flat angles P-C4'-P energy: -58.523 tors. eta vs tors. theta energy: -130.987 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: 1 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1437.004511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.004511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.004511 (E_RNA) where: Base-Base interactions energy: -1069.582 where: short stacking energy: -399.982 Base-Backbone interact. energy: -0.145 local terms energy: -367.277790 where: bonds (distance) C4'-P energy: -63.116 bonds (distance) P-C4' energy: -67.196 flat angles C4'-P-C4' energy: -80.847 flat angles P-C4'-P energy: -42.968 tors. eta vs tors. theta energy: -113.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1354.935957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.935957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.935957 (E_RNA) where: Base-Base interactions energy: -980.481 where: short stacking energy: -384.086 Base-Backbone interact. energy: -0.931 local terms energy: -373.524234 where: bonds (distance) C4'-P energy: -59.160 bonds (distance) P-C4' energy: -74.343 flat angles C4'-P-C4' energy: -79.082 flat angles P-C4'-P energy: -56.545 tors. eta vs tors. theta energy: -104.395 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: 4 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1282.960251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.960251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.960251 (E_RNA) where: Base-Base interactions energy: -911.984 where: short stacking energy: -349.993 Base-Backbone interact. energy: -1.118 local terms energy: -369.857826 where: bonds (distance) C4'-P energy: -65.833 bonds (distance) P-C4' energy: -71.894 flat angles C4'-P-C4' energy: -86.536 flat angles P-C4'-P energy: -45.550 tors. eta vs tors. theta energy: -100.046 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: 3 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1281.123071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.123071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.123071 (E_RNA) where: Base-Base interactions energy: -906.913 where: short stacking energy: -362.424 Base-Backbone interact. energy: -1.621 local terms energy: -372.588587 where: bonds (distance) C4'-P energy: -70.972 bonds (distance) P-C4' energy: -64.875 flat angles C4'-P-C4' energy: -72.914 flat angles P-C4'-P energy: -56.032 tors. eta vs tors. theta energy: -107.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1182.156503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.156503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.156503 (E_RNA) where: Base-Base interactions energy: -856.182 where: short stacking energy: -326.024 Base-Backbone interact. energy: 2.070 local terms energy: -328.043999 where: bonds (distance) C4'-P energy: -51.404 bonds (distance) P-C4' energy: -69.340 flat angles C4'-P-C4' energy: -61.340 flat angles P-C4'-P energy: -50.652 tors. eta vs tors. theta energy: -95.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -992.476839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.476839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.476839 (E_RNA) where: Base-Base interactions energy: -709.533 where: short stacking energy: -270.538 Base-Backbone interact. energy: 0.059 local terms energy: -283.003466 where: bonds (distance) C4'-P energy: -52.356 bonds (distance) P-C4' energy: -60.979 flat angles C4'-P-C4' energy: -54.867 flat angles P-C4'-P energy: -41.858 tors. eta vs tors. theta energy: -72.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1703.207174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.207174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.207174 (E_RNA) where: Base-Base interactions energy: -1225.308 where: short stacking energy: -492.777 Base-Backbone interact. energy: -0.999 local terms energy: -476.899463 where: bonds (distance) C4'-P energy: -77.566 bonds (distance) P-C4' energy: -85.363 flat angles C4'-P-C4' energy: -95.926 flat angles P-C4'-P energy: -65.199 tors. eta vs tors. theta energy: -152.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1561.108539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.108539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.108539 (E_RNA) where: Base-Base interactions energy: -1139.432 where: short stacking energy: -457.620 Base-Backbone interact. energy: 0.722 local terms energy: -422.398004 where: bonds (distance) C4'-P energy: -67.011 bonds (distance) P-C4' energy: -71.365 flat angles C4'-P-C4' energy: -86.296 flat angles P-C4'-P energy: -66.337 tors. eta vs tors. theta energy: -131.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1535.158810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.158810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.158810 (E_RNA) where: Base-Base interactions energy: -1139.943 where: short stacking energy: -424.967 Base-Backbone interact. energy: 1.628 local terms energy: -396.843502 where: bonds (distance) C4'-P energy: -70.371 bonds (distance) P-C4' energy: -71.295 flat angles C4'-P-C4' energy: -80.212 flat angles P-C4'-P energy: -50.258 tors. eta vs tors. theta energy: -124.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1480.172747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.172747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.172747 (E_RNA) where: Base-Base interactions energy: -1078.074 where: short stacking energy: -419.390 Base-Backbone interact. energy: 0.802 local terms energy: -402.900648 where: bonds (distance) C4'-P energy: -67.869 bonds (distance) P-C4' energy: -69.037 flat angles C4'-P-C4' energy: -87.414 flat angles P-C4'-P energy: -60.013 tors. eta vs tors. theta energy: -118.567 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: 1 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1434.080693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.080693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.080693 (E_RNA) where: Base-Base interactions energy: -1036.247 where: short stacking energy: -389.241 Base-Backbone interact. energy: 2.506 local terms energy: -400.339131 where: bonds (distance) C4'-P energy: -70.815 bonds (distance) P-C4' energy: -80.857 flat angles C4'-P-C4' energy: -82.573 flat angles P-C4'-P energy: -54.438 tors. eta vs tors. theta energy: -111.656 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: 7 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1381.664241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.664241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.664241 (E_RNA) where: Base-Base interactions energy: -1018.556 where: short stacking energy: -388.736 Base-Backbone interact. energy: 1.531 local terms energy: -364.638724 where: bonds (distance) C4'-P energy: -54.062 bonds (distance) P-C4' energy: -61.522 flat angles C4'-P-C4' energy: -87.501 flat angles P-C4'-P energy: -55.017 tors. eta vs tors. theta energy: -106.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1330.443541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.443541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.443541 (E_RNA) where: Base-Base interactions energy: -949.158 where: short stacking energy: -368.912 Base-Backbone interact. energy: -0.282 local terms energy: -381.003739 where: bonds (distance) C4'-P energy: -64.570 bonds (distance) P-C4' energy: -59.776 flat angles C4'-P-C4' energy: -86.484 flat angles P-C4'-P energy: -63.474 tors. eta vs tors. theta energy: -106.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1302.402646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.402646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.402646 (E_RNA) where: Base-Base interactions energy: -944.256 where: short stacking energy: -371.825 Base-Backbone interact. energy: 1.240 local terms energy: -359.387237 where: bonds (distance) C4'-P energy: -57.189 bonds (distance) P-C4' energy: -61.595 flat angles C4'-P-C4' energy: -79.121 flat angles P-C4'-P energy: -50.754 tors. eta vs tors. theta energy: -110.728 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: 8 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1205.081250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.081250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.081250 (E_RNA) where: Base-Base interactions energy: -877.645 where: short stacking energy: -330.152 Base-Backbone interact. energy: -0.956 local terms energy: -326.480187 where: bonds (distance) C4'-P energy: -55.301 bonds (distance) P-C4' energy: -61.741 flat angles C4'-P-C4' energy: -66.064 flat angles P-C4'-P energy: -55.564 tors. eta vs tors. theta energy: -87.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -894.142891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.142891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.142891 (E_RNA) where: Base-Base interactions energy: -616.462 where: short stacking energy: -244.427 Base-Backbone interact. energy: -2.072 local terms energy: -275.608830 where: bonds (distance) C4'-P energy: -59.466 bonds (distance) P-C4' energy: -61.533 flat angles C4'-P-C4' energy: -62.426 flat angles P-C4'-P energy: -40.309 tors. eta vs tors. theta energy: -51.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1700.402176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.402176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.402176 (E_RNA) where: Base-Base interactions energy: -1244.075 where: short stacking energy: -489.644 Base-Backbone interact. energy: -0.025 local terms energy: -456.302172 where: bonds (distance) C4'-P energy: -67.058 bonds (distance) P-C4' energy: -84.335 flat angles C4'-P-C4' energy: -92.609 flat angles P-C4'-P energy: -67.858 tors. eta vs tors. theta energy: -144.442 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: 9 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1578.077729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.077729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.077729 (E_RNA) where: Base-Base interactions energy: -1155.635 where: short stacking energy: -438.319 Base-Backbone interact. energy: -0.225 local terms energy: -422.217839 where: bonds (distance) C4'-P energy: -77.240 bonds (distance) P-C4' energy: -72.959 flat angles C4'-P-C4' energy: -88.901 flat angles P-C4'-P energy: -59.742 tors. eta vs tors. theta energy: -123.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1546.091971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.091971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.091971 (E_RNA) where: Base-Base interactions energy: -1122.882 where: short stacking energy: -446.790 Base-Backbone interact. energy: 0.285 local terms energy: -423.494799 where: bonds (distance) C4'-P energy: -68.052 bonds (distance) P-C4' energy: -61.736 flat angles C4'-P-C4' energy: -92.470 flat angles P-C4'-P energy: -70.002 tors. eta vs tors. theta energy: -131.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1493.278774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.278774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.278774 (E_RNA) where: Base-Base interactions energy: -1083.441 where: short stacking energy: -425.286 Base-Backbone interact. energy: 2.365 local terms energy: -412.202159 where: bonds (distance) C4'-P energy: -74.418 bonds (distance) P-C4' energy: -62.697 flat angles C4'-P-C4' energy: -85.400 flat angles P-C4'-P energy: -63.611 tors. eta vs tors. theta energy: -126.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1446.641769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.641769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.641769 (E_RNA) where: Base-Base interactions energy: -1066.175 where: short stacking energy: -396.913 Base-Backbone interact. energy: -0.937 local terms energy: -379.530185 where: bonds (distance) C4'-P energy: -59.589 bonds (distance) P-C4' energy: -71.154 flat angles C4'-P-C4' energy: -81.678 flat angles P-C4'-P energy: -56.971 tors. eta vs tors. theta energy: -110.138 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: 6, replica: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1359.454642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.454642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.454642 (E_RNA) where: Base-Base interactions energy: -971.542 where: short stacking energy: -367.304 Base-Backbone interact. energy: -0.269 local terms energy: -387.643158 where: bonds (distance) C4'-P energy: -67.314 bonds (distance) P-C4' energy: -75.218 flat angles C4'-P-C4' energy: -75.563 flat angles P-C4'-P energy: -57.130 tors. eta vs tors. theta energy: -112.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1333.160574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.160574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.160574 (E_RNA) where: Base-Base interactions energy: -993.180 where: short stacking energy: -370.411 Base-Backbone interact. energy: 2.235 local terms energy: -342.215624 where: bonds (distance) C4'-P energy: -59.564 bonds (distance) P-C4' energy: -60.628 flat angles C4'-P-C4' energy: -70.830 flat angles P-C4'-P energy: -50.233 tors. eta vs tors. theta energy: -100.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1315.414223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.414223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.414223 (E_RNA) where: Base-Base interactions energy: -974.777 where: short stacking energy: -378.297 Base-Backbone interact. energy: 1.196 local terms energy: -341.832643 where: bonds (distance) C4'-P energy: -54.634 bonds (distance) P-C4' energy: -61.841 flat angles C4'-P-C4' energy: -73.473 flat angles P-C4'-P energy: -46.096 tors. eta vs tors. theta energy: -105.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1153.726662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.726662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.726662 (E_RNA) where: Base-Base interactions energy: -832.310 where: short stacking energy: -338.304 Base-Backbone interact. energy: 4.886 local terms energy: -326.302432 where: bonds (distance) C4'-P energy: -55.509 bonds (distance) P-C4' energy: -64.388 flat angles C4'-P-C4' energy: -70.010 flat angles P-C4'-P energy: -43.094 tors. eta vs tors. theta energy: -93.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -950.208674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.208674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.208674 (E_RNA) where: Base-Base interactions energy: -646.657 where: short stacking energy: -263.948 Base-Backbone interact. energy: 1.251 local terms energy: -304.802725 where: bonds (distance) C4'-P energy: -60.899 bonds (distance) P-C4' energy: -57.481 flat angles C4'-P-C4' energy: -73.157 flat angles P-C4'-P energy: -43.933 tors. eta vs tors. theta energy: -69.333 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: 300 Temperature: 0.900000 Total energy: -1731.831055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.831055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.831055 (E_RNA) where: Base-Base interactions energy: -1268.272 where: short stacking energy: -497.165 Base-Backbone interact. energy: -0.060 local terms energy: -463.499495 where: bonds (distance) C4'-P energy: -74.523 bonds (distance) P-C4' energy: -79.169 flat angles C4'-P-C4' energy: -94.074 flat angles P-C4'-P energy: -68.140 tors. eta vs tors. theta energy: -147.594 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: 300 Temperature: 0.950000 Total energy: -1565.942561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.942561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.942561 (E_RNA) where: Base-Base interactions energy: -1148.498 where: short stacking energy: -441.483 Base-Backbone interact. energy: -0.055 local terms energy: -417.390322 where: bonds (distance) C4'-P energy: -69.519 bonds (distance) P-C4' energy: -78.104 flat angles C4'-P-C4' energy: -88.035 flat angles P-C4'-P energy: -54.652 tors. eta vs tors. theta energy: -127.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1524.205532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.205532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.205532 (E_RNA) where: Base-Base interactions energy: -1099.269 where: short stacking energy: -432.892 Base-Backbone interact. energy: -0.313 local terms energy: -424.623514 where: bonds (distance) C4'-P energy: -69.165 bonds (distance) P-C4' energy: -76.690 flat angles C4'-P-C4' energy: -90.164 flat angles P-C4'-P energy: -62.924 tors. eta vs tors. theta energy: -125.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1518.207669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.207669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.207669 (E_RNA) where: Base-Base interactions energy: -1118.893 where: short stacking energy: -450.342 Base-Backbone interact. energy: -0.095 local terms energy: -399.219865 where: bonds (distance) C4'-P energy: -64.585 bonds (distance) P-C4' energy: -63.039 flat angles C4'-P-C4' energy: -82.739 flat angles P-C4'-P energy: -59.668 tors. eta vs tors. theta energy: -129.189 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: 5, replica: 1 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1452.481879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.481879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.481879 (E_RNA) where: Base-Base interactions energy: -1059.954 where: short stacking energy: -408.371 Base-Backbone interact. energy: 4.279 local terms energy: -396.806551 where: bonds (distance) C4'-P energy: -74.378 bonds (distance) P-C4' energy: -63.490 flat angles C4'-P-C4' energy: -87.802 flat angles P-C4'-P energy: -54.488 tors. eta vs tors. theta energy: -116.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1381.697798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.697798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.697798 (E_RNA) where: Base-Base interactions energy: -977.510 where: short stacking energy: -372.759 Base-Backbone interact. energy: 0.361 local terms energy: -404.548989 where: bonds (distance) C4'-P energy: -68.778 bonds (distance) P-C4' energy: -77.449 flat angles C4'-P-C4' energy: -86.821 flat angles P-C4'-P energy: -59.849 tors. eta vs tors. theta energy: -111.652 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: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1330.791371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.791371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.791371 (E_RNA) where: Base-Base interactions energy: -960.217 where: short stacking energy: -370.382 Base-Backbone interact. energy: -0.229 local terms energy: -370.345533 where: bonds (distance) C4'-P energy: -79.836 bonds (distance) P-C4' energy: -65.978 flat angles C4'-P-C4' energy: -76.333 flat angles P-C4'-P energy: -48.320 tors. eta vs tors. theta energy: -99.879 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: 300 Temperature: 1.250000 Total energy: -1291.127572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.127572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.127572 (E_RNA) where: Base-Base interactions energy: -933.992 where: short stacking energy: -377.276 Base-Backbone interact. energy: -0.317 local terms energy: -356.818525 where: bonds (distance) C4'-P energy: -67.514 bonds (distance) P-C4' energy: -49.679 flat angles C4'-P-C4' energy: -86.489 flat angles P-C4'-P energy: -49.983 tors. eta vs tors. theta energy: -103.154 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: 9, replica: 8 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1157.818863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.818863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.818863 (E_RNA) where: Base-Base interactions energy: -832.955 where: short stacking energy: -320.665 Base-Backbone interact. energy: 0.227 local terms energy: -325.091191 where: bonds (distance) C4'-P energy: -65.986 bonds (distance) P-C4' energy: -62.590 flat angles C4'-P-C4' energy: -70.210 flat angles P-C4'-P energy: -44.064 tors. eta vs tors. theta energy: -82.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1011.752624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.752624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.752624 (E_RNA) where: Base-Base interactions energy: -710.678 where: short stacking energy: -278.096 Base-Backbone interact. energy: 2.790 local terms energy: -303.864443 where: bonds (distance) C4'-P energy: -68.575 bonds (distance) P-C4' energy: -36.783 flat angles C4'-P-C4' energy: -75.083 flat angles P-C4'-P energy: -52.375 tors. eta vs tors. theta energy: -71.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1706.349721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.349721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.349721 (E_RNA) where: Base-Base interactions energy: -1257.589 where: short stacking energy: -494.281 Base-Backbone interact. energy: -0.489 local terms energy: -448.271398 where: bonds (distance) C4'-P energy: -81.268 bonds (distance) P-C4' energy: -67.945 flat angles C4'-P-C4' energy: -90.108 flat angles P-C4'-P energy: -57.510 tors. eta vs tors. theta energy: -151.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1582.377438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.377438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.377438 (E_RNA) where: Base-Base interactions energy: -1163.985 where: short stacking energy: -438.003 Base-Backbone interact. energy: 1.516 local terms energy: -419.908752 where: bonds (distance) C4'-P energy: -79.024 bonds (distance) P-C4' energy: -67.189 flat angles C4'-P-C4' energy: -91.418 flat angles P-C4'-P energy: -58.163 tors. eta vs tors. theta energy: -124.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1525.862663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.862663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.862663 (E_RNA) where: Base-Base interactions energy: -1090.097 where: short stacking energy: -441.848 Base-Backbone interact. energy: -0.465 local terms energy: -435.300979 where: bonds (distance) C4'-P energy: -76.264 bonds (distance) P-C4' energy: -74.937 flat angles C4'-P-C4' energy: -92.120 flat angles P-C4'-P energy: -61.637 tors. eta vs tors. theta energy: -130.343 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: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1535.681008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.681008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.681008 (E_RNA) where: Base-Base interactions energy: -1122.902 where: short stacking energy: -441.986 Base-Backbone interact. energy: -0.465 local terms energy: -412.314433 where: bonds (distance) C4'-P energy: -73.459 bonds (distance) P-C4' energy: -67.797 flat angles C4'-P-C4' energy: -80.648 flat angles P-C4'-P energy: -58.962 tors. eta vs tors. theta energy: -131.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1444.079843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.079843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.079843 (E_RNA) where: Base-Base interactions energy: -1049.679 where: short stacking energy: -401.752 Base-Backbone interact. energy: -1.938 local terms energy: -392.463431 where: bonds (distance) C4'-P energy: -65.260 bonds (distance) P-C4' energy: -73.637 flat angles C4'-P-C4' energy: -80.323 flat angles P-C4'-P energy: -54.599 tors. eta vs tors. theta energy: -118.645 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: 4 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1377.176046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.176046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.176046 (E_RNA) where: Base-Base interactions energy: -976.131 where: short stacking energy: -381.464 Base-Backbone interact. energy: 0.218 local terms energy: -401.263187 where: bonds (distance) C4'-P energy: -67.425 bonds (distance) P-C4' energy: -77.953 flat angles C4'-P-C4' energy: -87.686 flat angles P-C4'-P energy: -54.035 tors. eta vs tors. theta energy: -114.165 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: 7 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1337.757673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.757673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.757673 (E_RNA) where: Base-Base interactions energy: -975.985 where: short stacking energy: -369.829 Base-Backbone interact. energy: -1.481 local terms energy: -360.291077 where: bonds (distance) C4'-P energy: -60.309 bonds (distance) P-C4' energy: -68.397 flat angles C4'-P-C4' energy: -66.727 flat angles P-C4'-P energy: -55.829 tors. eta vs tors. theta energy: -109.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1267.229682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.229682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.229682 (E_RNA) where: Base-Base interactions energy: -913.883 where: short stacking energy: -372.822 Base-Backbone interact. energy: 0.583 local terms energy: -353.929001 where: bonds (distance) C4'-P energy: -67.619 bonds (distance) P-C4' energy: -66.156 flat angles C4'-P-C4' energy: -69.092 flat angles P-C4'-P energy: -50.492 tors. eta vs tors. theta energy: -100.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1233.966490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.966490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.966490 (E_RNA) where: Base-Base interactions energy: -894.771 where: short stacking energy: -363.985 Base-Backbone interact. energy: -0.452 local terms energy: -338.743843 where: bonds (distance) C4'-P energy: -62.251 bonds (distance) P-C4' energy: -63.447 flat angles C4'-P-C4' energy: -74.774 flat angles P-C4'-P energy: -43.511 tors. eta vs tors. theta energy: -94.761 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: 10, replica: 6 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1062.243377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.243377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.243377 (E_RNA) where: Base-Base interactions energy: -778.640 where: short stacking energy: -294.698 Base-Backbone interact. energy: 2.149 local terms energy: -285.753005 where: bonds (distance) C4'-P energy: -44.785 bonds (distance) P-C4' energy: -58.389 flat angles C4'-P-C4' energy: -59.914 flat angles P-C4'-P energy: -44.028 tors. eta vs tors. theta energy: -78.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1709.211401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.211401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.211401 (E_RNA) where: Base-Base interactions energy: -1224.855 where: short stacking energy: -483.620 Base-Backbone interact. energy: -0.749 local terms energy: -483.607102 where: bonds (distance) C4'-P energy: -76.965 bonds (distance) P-C4' energy: -84.550 flat angles C4'-P-C4' energy: -95.791 flat angles P-C4'-P energy: -76.408 tors. eta vs tors. theta energy: -149.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1554.831396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.831396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.831396 (E_RNA) where: Base-Base interactions energy: -1133.641 where: short stacking energy: -435.314 Base-Backbone interact. energy: 1.089 local terms energy: -422.279964 where: bonds (distance) C4'-P energy: -75.294 bonds (distance) P-C4' energy: -75.180 flat angles C4'-P-C4' energy: -91.936 flat angles P-C4'-P energy: -60.829 tors. eta vs tors. theta energy: -119.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1565.697171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.697171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.697171 (E_RNA) where: Base-Base interactions energy: -1147.265 where: short stacking energy: -445.260 Base-Backbone interact. energy: -0.327 local terms energy: -418.105138 where: bonds (distance) C4'-P energy: -66.482 bonds (distance) P-C4' energy: -67.286 flat angles C4'-P-C4' energy: -93.492 flat angles P-C4'-P energy: -58.565 tors. eta vs tors. theta energy: -132.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1491.458145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.458145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.458145 (E_RNA) where: Base-Base interactions energy: -1055.093 where: short stacking energy: -407.397 Base-Backbone interact. energy: -0.728 local terms energy: -435.637329 where: bonds (distance) C4'-P energy: -80.424 bonds (distance) P-C4' energy: -73.432 flat angles C4'-P-C4' energy: -94.159 flat angles P-C4'-P energy: -64.678 tors. eta vs tors. theta energy: -122.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1389.201418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.201418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.201418 (E_RNA) where: Base-Base interactions energy: -997.480 where: short stacking energy: -379.335 Base-Backbone interact. energy: 5.605 local terms energy: -397.326995 where: bonds (distance) C4'-P energy: -65.565 bonds (distance) P-C4' energy: -70.951 flat angles C4'-P-C4' energy: -91.288 flat angles P-C4'-P energy: -59.286 tors. eta vs tors. theta energy: -110.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1440.630919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.630919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.630919 (E_RNA) where: Base-Base interactions energy: -1050.461 where: short stacking energy: -400.933 Base-Backbone interact. energy: 4.753 local terms energy: -394.923541 where: bonds (distance) C4'-P energy: -75.995 bonds (distance) P-C4' energy: -68.173 flat angles C4'-P-C4' energy: -75.941 flat angles P-C4'-P energy: -54.610 tors. eta vs tors. theta energy: -120.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1334.631704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.631704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.631704 (E_RNA) where: Base-Base interactions energy: -954.452 where: short stacking energy: -372.719 Base-Backbone interact. energy: -1.146 local terms energy: -379.033715 where: bonds (distance) C4'-P energy: -68.595 bonds (distance) P-C4' energy: -69.069 flat angles C4'-P-C4' energy: -82.522 flat angles P-C4'-P energy: -51.396 tors. eta vs tors. theta energy: -107.453 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: 8, replica: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1342.763818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.763818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.763818 (E_RNA) where: Base-Base interactions energy: -965.076 where: short stacking energy: -362.946 Base-Backbone interact. energy: -0.595 local terms energy: -377.093273 where: bonds (distance) C4'-P energy: -60.168 bonds (distance) P-C4' energy: -73.386 flat angles C4'-P-C4' energy: -82.877 flat angles P-C4'-P energy: -53.023 tors. eta vs tors. theta energy: -107.639 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: 8 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1206.673731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.673731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.673731 (E_RNA) where: Base-Base interactions energy: -880.665 where: short stacking energy: -338.823 Base-Backbone interact. energy: -0.854 local terms energy: -325.155245 where: bonds (distance) C4'-P energy: -61.134 bonds (distance) P-C4' energy: -52.183 flat angles C4'-P-C4' energy: -70.395 flat angles P-C4'-P energy: -48.473 tors. eta vs tors. theta energy: -92.970 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: 6 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -1101.235839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.235839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.235839 (E_RNA) where: Base-Base interactions energy: -779.969 where: short stacking energy: -318.808 Base-Backbone interact. energy: 3.213 local terms energy: -324.479905 where: bonds (distance) C4'-P energy: -61.586 bonds (distance) P-C4' energy: -65.995 flat angles C4'-P-C4' energy: -66.338 flat angles P-C4'-P energy: -46.116 tors. eta vs tors. theta energy: -84.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1709.151753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.151753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.151753 (E_RNA) where: Base-Base interactions energy: -1260.236 where: short stacking energy: -494.251 Base-Backbone interact. energy: -0.103 local terms energy: -448.813078 where: bonds (distance) C4'-P energy: -73.230 bonds (distance) P-C4' energy: -71.104 flat angles C4'-P-C4' energy: -92.860 flat angles P-C4'-P energy: -66.272 tors. eta vs tors. theta energy: -145.347 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: 2, replica: 10 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1590.571006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.571006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.571006 (E_RNA) where: Base-Base interactions energy: -1155.451 where: short stacking energy: -452.125 Base-Backbone interact. energy: 1.089 local terms energy: -436.208849 where: bonds (distance) C4'-P energy: -71.330 bonds (distance) P-C4' energy: -73.428 flat angles C4'-P-C4' energy: -93.483 flat angles P-C4'-P energy: -61.448 tors. eta vs tors. theta energy: -136.519 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: 9 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1535.879476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.879476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.879476 (E_RNA) where: Base-Base interactions energy: -1120.082 where: short stacking energy: -424.515 Base-Backbone interact. energy: -2.795 local terms energy: -413.002418 where: bonds (distance) C4'-P energy: -79.990 bonds (distance) P-C4' energy: -67.766 flat angles C4'-P-C4' energy: -88.891 flat angles P-C4'-P energy: -56.048 tors. eta vs tors. theta energy: -120.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1484.715673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.715673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.715673 (E_RNA) where: Base-Base interactions energy: -1072.610 where: short stacking energy: -415.008 Base-Backbone interact. energy: -0.404 local terms energy: -411.701332 where: bonds (distance) C4'-P energy: -69.357 bonds (distance) P-C4' energy: -87.686 flat angles C4'-P-C4' energy: -87.832 flat angles P-C4'-P energy: -50.855 tors. eta vs tors. theta energy: -115.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1392.573204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.573204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.573204 (E_RNA) where: Base-Base interactions energy: -1009.953 where: short stacking energy: -386.414 Base-Backbone interact. energy: -1.185 local terms energy: -381.435253 where: bonds (distance) C4'-P energy: -66.073 bonds (distance) P-C4' energy: -63.056 flat angles C4'-P-C4' energy: -77.072 flat angles P-C4'-P energy: -57.802 tors. eta vs tors. theta energy: -117.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1430.661378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.661378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.661378 (E_RNA) where: Base-Base interactions energy: -1039.985 where: short stacking energy: -403.126 Base-Backbone interact. energy: 2.437 local terms energy: -393.112768 where: bonds (distance) C4'-P energy: -71.024 bonds (distance) P-C4' energy: -69.026 flat angles C4'-P-C4' energy: -79.417 flat angles P-C4'-P energy: -56.266 tors. eta vs tors. theta energy: -117.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1328.440567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.440567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.440567 (E_RNA) where: Base-Base interactions energy: -964.537 where: short stacking energy: -384.835 Base-Backbone interact. energy: 1.021 local terms energy: -364.924441 where: bonds (distance) C4'-P energy: -62.735 bonds (distance) P-C4' energy: -59.858 flat angles C4'-P-C4' energy: -71.434 flat angles P-C4'-P energy: -61.098 tors. eta vs tors. theta energy: -109.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1272.212457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.212457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.212457 (E_RNA) where: Base-Base interactions energy: -915.003 where: short stacking energy: -359.020 Base-Backbone interact. energy: -0.355 local terms energy: -356.854856 where: bonds (distance) C4'-P energy: -66.123 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -77.842 flat angles P-C4'-P energy: -43.216 tors. eta vs tors. theta energy: -107.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1191.547968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.547968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.547968 (E_RNA) where: Base-Base interactions energy: -863.697 where: short stacking energy: -323.812 Base-Backbone interact. energy: -0.441 local terms energy: -327.410416 where: bonds (distance) C4'-P energy: -50.195 bonds (distance) P-C4' energy: -65.140 flat angles C4'-P-C4' energy: -73.430 flat angles P-C4'-P energy: -42.875 tors. eta vs tors. theta energy: -95.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1105.489080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.489080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.489080 (E_RNA) where: Base-Base interactions energy: -798.599 where: short stacking energy: -323.671 Base-Backbone interact. energy: -1.270 local terms energy: -305.620399 where: bonds (distance) C4'-P energy: -48.981 bonds (distance) P-C4' energy: -61.859 flat angles C4'-P-C4' energy: -64.696 flat angles P-C4'-P energy: -45.948 tors. eta vs tors. theta energy: -84.136 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: 304 Temperature: 0.900000 Total energy: -1712.287963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.287963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.287963 (E_RNA) where: Base-Base interactions energy: -1253.350 where: short stacking energy: -492.358 Base-Backbone interact. energy: -0.457 local terms energy: -458.480810 where: bonds (distance) C4'-P energy: -79.315 bonds (distance) P-C4' energy: -72.109 flat angles C4'-P-C4' energy: -90.887 flat angles P-C4'-P energy: -70.428 tors. eta vs tors. theta energy: -145.742 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: 2, replica: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1576.433725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.433725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.433725 (E_RNA) where: Base-Base interactions energy: -1150.602 where: short stacking energy: -448.550 Base-Backbone interact. energy: -0.177 local terms energy: -425.654549 where: bonds (distance) C4'-P energy: -71.851 bonds (distance) P-C4' energy: -70.627 flat angles C4'-P-C4' energy: -90.280 flat angles P-C4'-P energy: -57.287 tors. eta vs tors. theta energy: -135.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1559.196952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.196952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.196952 (E_RNA) where: Base-Base interactions energy: -1143.202 where: short stacking energy: -426.834 Base-Backbone interact. energy: -1.474 local terms energy: -414.520502 where: bonds (distance) C4'-P energy: -60.208 bonds (distance) P-C4' energy: -76.170 flat angles C4'-P-C4' energy: -85.742 flat angles P-C4'-P energy: -65.679 tors. eta vs tors. theta energy: -126.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1503.974687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.974687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.974687 (E_RNA) where: Base-Base interactions energy: -1090.297 where: short stacking energy: -437.973 Base-Backbone interact. energy: -1.453 local terms energy: -412.224762 where: bonds (distance) C4'-P energy: -73.675 bonds (distance) P-C4' energy: -59.628 flat angles C4'-P-C4' energy: -85.657 flat angles P-C4'-P energy: -61.911 tors. eta vs tors. theta energy: -131.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1466.511028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.511028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.511028 (E_RNA) where: Base-Base interactions energy: -1073.330 where: short stacking energy: -394.980 Base-Backbone interact. energy: -0.019 local terms energy: -393.161793 where: bonds (distance) C4'-P energy: -62.415 bonds (distance) P-C4' energy: -75.923 flat angles C4'-P-C4' energy: -76.141 flat angles P-C4'-P energy: -62.188 tors. eta vs tors. theta energy: -116.494 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: 4 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1357.002397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.002397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.002397 (E_RNA) where: Base-Base interactions energy: -993.429 where: short stacking energy: -388.305 Base-Backbone interact. energy: -0.736 local terms energy: -362.837678 where: bonds (distance) C4'-P energy: -54.914 bonds (distance) P-C4' energy: -64.240 flat angles C4'-P-C4' energy: -80.988 flat angles P-C4'-P energy: -53.119 tors. eta vs tors. theta energy: -109.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1333.010492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.010492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.010492 (E_RNA) where: Base-Base interactions energy: -959.865 where: short stacking energy: -384.064 Base-Backbone interact. energy: -1.099 local terms energy: -372.046274 where: bonds (distance) C4'-P energy: -68.302 bonds (distance) P-C4' energy: -68.078 flat angles C4'-P-C4' energy: -77.096 flat angles P-C4'-P energy: -47.290 tors. eta vs tors. theta energy: -111.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1294.650281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.650281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.650281 (E_RNA) where: Base-Base interactions energy: -928.952 where: short stacking energy: -347.969 Base-Backbone interact. energy: 0.573 local terms energy: -366.270930 where: bonds (distance) C4'-P energy: -72.490 bonds (distance) P-C4' energy: -62.093 flat angles C4'-P-C4' energy: -75.921 flat angles P-C4'-P energy: -55.593 tors. eta vs tors. theta energy: -100.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1221.625170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.625170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.625170 (E_RNA) where: Base-Base interactions energy: -906.985 where: short stacking energy: -354.099 Base-Backbone interact. energy: 4.083 local terms energy: -318.723631 where: bonds (distance) C4'-P energy: -49.812 bonds (distance) P-C4' energy: -52.635 flat angles C4'-P-C4' energy: -78.144 flat angles P-C4'-P energy: -47.005 tors. eta vs tors. theta energy: -91.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1090.431910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.431910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.431910 (E_RNA) where: Base-Base interactions energy: -768.299 where: short stacking energy: -314.946 Base-Backbone interact. energy: -0.719 local terms energy: -321.414311 where: bonds (distance) C4'-P energy: -56.022 bonds (distance) P-C4' energy: -59.994 flat angles C4'-P-C4' energy: -79.732 flat angles P-C4'-P energy: -42.523 tors. eta vs tors. theta energy: -83.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1702.463891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.463891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.463891 (E_RNA) where: Base-Base interactions energy: -1234.108 where: short stacking energy: -485.314 Base-Backbone interact. energy: -0.528 local terms energy: -467.828140 where: bonds (distance) C4'-P energy: -75.792 bonds (distance) P-C4' energy: -81.822 flat angles C4'-P-C4' energy: -91.942 flat angles P-C4'-P energy: -69.410 tors. eta vs tors. theta energy: -148.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1557.176314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.176314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.176314 (E_RNA) where: Base-Base interactions energy: -1144.233 where: short stacking energy: -427.241 Base-Backbone interact. energy: -1.333 local terms energy: -411.609664 where: bonds (distance) C4'-P energy: -65.093 bonds (distance) P-C4' energy: -68.025 flat angles C4'-P-C4' energy: -95.307 flat angles P-C4'-P energy: -58.874 tors. eta vs tors. theta energy: -124.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1563.817931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.817931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.817931 (E_RNA) where: Base-Base interactions energy: -1113.857 where: short stacking energy: -439.906 Base-Backbone interact. energy: -0.364 local terms energy: -449.597344 where: bonds (distance) C4'-P energy: -77.338 bonds (distance) P-C4' energy: -82.105 flat angles C4'-P-C4' energy: -90.889 flat angles P-C4'-P energy: -67.853 tors. eta vs tors. theta energy: -131.413 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: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1482.274227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.274227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.274227 (E_RNA) where: Base-Base interactions energy: -1079.644 where: short stacking energy: -415.120 Base-Backbone interact. energy: 0.752 local terms energy: -403.382262 where: bonds (distance) C4'-P energy: -73.674 bonds (distance) P-C4' energy: -67.638 flat angles C4'-P-C4' energy: -84.615 flat angles P-C4'-P energy: -58.013 tors. eta vs tors. theta energy: -119.443 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: 305 Temperature: 1.100000 Total energy: -1477.082846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.082846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.082846 (E_RNA) where: Base-Base interactions energy: -1076.727 where: short stacking energy: -417.472 Base-Backbone interact. energy: -0.912 local terms energy: -399.444309 where: bonds (distance) C4'-P energy: -71.655 bonds (distance) P-C4' energy: -70.176 flat angles C4'-P-C4' energy: -81.687 flat angles P-C4'-P energy: -63.173 tors. eta vs tors. theta energy: -112.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1364.275782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.275782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.275782 (E_RNA) where: Base-Base interactions energy: -966.185 where: short stacking energy: -388.762 Base-Backbone interact. energy: -0.867 local terms energy: -397.223794 where: bonds (distance) C4'-P energy: -71.434 bonds (distance) P-C4' energy: -72.388 flat angles C4'-P-C4' energy: -79.902 flat angles P-C4'-P energy: -56.293 tors. eta vs tors. theta energy: -117.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1295.865955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.865955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.865955 (E_RNA) where: Base-Base interactions energy: -922.187 where: short stacking energy: -355.210 Base-Backbone interact. energy: -0.396 local terms energy: -373.282957 where: bonds (distance) C4'-P energy: -74.424 bonds (distance) P-C4' energy: -81.332 flat angles C4'-P-C4' energy: -68.368 flat angles P-C4'-P energy: -47.311 tors. eta vs tors. theta energy: -101.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1271.680351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.680351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.680351 (E_RNA) where: Base-Base interactions energy: -909.199 where: short stacking energy: -343.751 Base-Backbone interact. energy: -1.252 local terms energy: -361.230016 where: bonds (distance) C4'-P energy: -70.009 bonds (distance) P-C4' energy: -62.952 flat angles C4'-P-C4' energy: -76.087 flat angles P-C4'-P energy: -52.008 tors. eta vs tors. theta energy: -100.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1265.896761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.896761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.896761 (E_RNA) where: Base-Base interactions energy: -895.057 where: short stacking energy: -333.267 Base-Backbone interact. energy: -0.781 local terms energy: -370.058966 where: bonds (distance) C4'-P energy: -69.089 bonds (distance) P-C4' energy: -66.128 flat angles C4'-P-C4' energy: -84.060 flat angles P-C4'-P energy: -55.328 tors. eta vs tors. theta energy: -95.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1099.531620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.531620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.531620 (E_RNA) where: Base-Base interactions energy: -769.837 where: short stacking energy: -308.142 Base-Backbone interact. energy: -1.493 local terms energy: -328.201921 where: bonds (distance) C4'-P energy: -63.052 bonds (distance) P-C4' energy: -60.395 flat angles C4'-P-C4' energy: -77.294 flat angles P-C4'-P energy: -42.448 tors. eta vs tors. theta energy: -85.013 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: 306 Temperature: 0.900000 Total energy: -1717.060716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.060716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.060716 (E_RNA) where: Base-Base interactions energy: -1237.395 where: short stacking energy: -495.942 Base-Backbone interact. energy: -0.057 local terms energy: -479.608226 where: bonds (distance) C4'-P energy: -85.905 bonds (distance) P-C4' energy: -80.549 flat angles C4'-P-C4' energy: -95.969 flat angles P-C4'-P energy: -69.720 tors. eta vs tors. theta energy: -147.465 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: 2, replica: 9 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1574.867468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.867468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.867468 (E_RNA) where: Base-Base interactions energy: -1152.070 where: short stacking energy: -435.579 Base-Backbone interact. energy: -1.646 local terms energy: -421.151840 where: bonds (distance) C4'-P energy: -78.717 bonds (distance) P-C4' energy: -61.187 flat angles C4'-P-C4' energy: -92.754 flat angles P-C4'-P energy: -62.615 tors. eta vs tors. theta energy: -125.879 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: 3, replica: 10 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1550.124463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.124463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.124463 (E_RNA) where: Base-Base interactions energy: -1127.537 where: short stacking energy: -443.584 Base-Backbone interact. energy: 0.124 local terms energy: -422.712264 where: bonds (distance) C4'-P energy: -72.900 bonds (distance) P-C4' energy: -76.456 flat angles C4'-P-C4' energy: -87.638 flat angles P-C4'-P energy: -52.155 tors. eta vs tors. theta energy: -133.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1453.703523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.703523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.703523 (E_RNA) where: Base-Base interactions energy: -1068.942 where: short stacking energy: -400.193 Base-Backbone interact. energy: -0.770 local terms energy: -383.991988 where: bonds (distance) C4'-P energy: -58.040 bonds (distance) P-C4' energy: -75.525 flat angles C4'-P-C4' energy: -81.655 flat angles P-C4'-P energy: -52.786 tors. eta vs tors. theta energy: -115.985 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: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1492.790888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.790888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.790888 (E_RNA) where: Base-Base interactions energy: -1080.031 where: short stacking energy: -412.773 Base-Backbone interact. energy: -0.409 local terms energy: -412.351026 where: bonds (distance) C4'-P energy: -72.345 bonds (distance) P-C4' energy: -69.864 flat angles C4'-P-C4' energy: -88.579 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: -126.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1426.771753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.771753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.771753 (E_RNA) where: Base-Base interactions energy: -1027.328 where: short stacking energy: -404.468 Base-Backbone interact. energy: 0.257 local terms energy: -399.700367 where: bonds (distance) C4'-P energy: -69.721 bonds (distance) P-C4' energy: -63.675 flat angles C4'-P-C4' energy: -82.725 flat angles P-C4'-P energy: -61.105 tors. eta vs tors. theta energy: -122.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1293.639268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.639268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.639268 (E_RNA) where: Base-Base interactions energy: -946.498 where: short stacking energy: -364.466 Base-Backbone interact. energy: -0.488 local terms energy: -346.653470 where: bonds (distance) C4'-P energy: -61.210 bonds (distance) P-C4' energy: -52.295 flat angles C4'-P-C4' energy: -82.033 flat angles P-C4'-P energy: -44.027 tors. eta vs tors. theta energy: -107.089 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: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1281.932083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.932083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.932083 (E_RNA) where: Base-Base interactions energy: -920.229 where: short stacking energy: -359.114 Base-Backbone interact. energy: -0.317 local terms energy: -361.386098 where: bonds (distance) C4'-P energy: -60.725 bonds (distance) P-C4' energy: -61.930 flat angles C4'-P-C4' energy: -77.828 flat angles P-C4'-P energy: -54.770 tors. eta vs tors. theta energy: -106.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1209.740062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.740062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.740062 (E_RNA) where: Base-Base interactions energy: -880.932 where: short stacking energy: -335.565 Base-Backbone interact. energy: 0.618 local terms energy: -329.426084 where: bonds (distance) C4'-P energy: -57.975 bonds (distance) P-C4' energy: -62.344 flat angles C4'-P-C4' energy: -77.945 flat angles P-C4'-P energy: -34.371 tors. eta vs tors. theta energy: -96.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1129.594320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.594320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.594320 (E_RNA) where: Base-Base interactions energy: -800.077 where: short stacking energy: -333.393 Base-Backbone interact. energy: -0.065 local terms energy: -329.452393 where: bonds (distance) C4'-P energy: -42.473 bonds (distance) P-C4' energy: -70.735 flat angles C4'-P-C4' energy: -70.030 flat angles P-C4'-P energy: -58.657 tors. eta vs tors. theta energy: -87.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1716.511169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.511169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.511169 (E_RNA) where: Base-Base interactions energy: -1252.131 where: short stacking energy: -491.255 Base-Backbone interact. energy: 0.221 local terms energy: -464.601580 where: bonds (distance) C4'-P energy: -77.176 bonds (distance) P-C4' energy: -75.443 flat angles C4'-P-C4' energy: -90.863 flat angles P-C4'-P energy: -72.074 tors. eta vs tors. theta energy: -149.046 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: 307 Temperature: 0.950000 Total energy: -1576.020608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.020608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.020608 (E_RNA) where: Base-Base interactions energy: -1167.593 where: short stacking energy: -441.408 Base-Backbone interact. energy: -0.812 local terms energy: -407.615385 where: bonds (distance) C4'-P energy: -63.387 bonds (distance) P-C4' energy: -73.758 flat angles C4'-P-C4' energy: -78.580 flat angles P-C4'-P energy: -66.756 tors. eta vs tors. theta energy: -125.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1571.247050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.247050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.247050 (E_RNA) where: Base-Base interactions energy: -1148.387 where: short stacking energy: -450.954 Base-Backbone interact. energy: 2.063 local terms energy: -424.923010 where: bonds (distance) C4'-P energy: -69.056 bonds (distance) P-C4' energy: -70.712 flat angles C4'-P-C4' energy: -87.783 flat angles P-C4'-P energy: -63.123 tors. eta vs tors. theta energy: -134.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1537.381148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.381148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.381148 (E_RNA) where: Base-Base interactions energy: -1139.612 where: short stacking energy: -443.040 Base-Backbone interact. energy: 1.983 local terms energy: -399.751734 where: bonds (distance) C4'-P energy: -56.710 bonds (distance) P-C4' energy: -74.971 flat angles C4'-P-C4' energy: -87.695 flat angles P-C4'-P energy: -53.060 tors. eta vs tors. theta energy: -127.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1458.734986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.734986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.734986 (E_RNA) where: Base-Base interactions energy: -1059.936 where: short stacking energy: -416.075 Base-Backbone interact. energy: -1.168 local terms energy: -397.630755 where: bonds (distance) C4'-P energy: -70.488 bonds (distance) P-C4' energy: -67.301 flat angles C4'-P-C4' energy: -80.664 flat angles P-C4'-P energy: -65.514 tors. eta vs tors. theta energy: -113.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1417.236220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.236220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.236220 (E_RNA) where: Base-Base interactions energy: -1020.952 where: short stacking energy: -394.333 Base-Backbone interact. energy: -0.062 local terms energy: -396.222253 where: bonds (distance) C4'-P energy: -76.534 bonds (distance) P-C4' energy: -65.781 flat angles C4'-P-C4' energy: -79.895 flat angles P-C4'-P energy: -57.649 tors. eta vs tors. theta energy: -116.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1320.282770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.282770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.282770 (E_RNA) where: Base-Base interactions energy: -938.820 where: short stacking energy: -381.489 Base-Backbone interact. energy: 2.654 local terms energy: -384.115865 where: bonds (distance) C4'-P energy: -73.121 bonds (distance) P-C4' energy: -73.159 flat angles C4'-P-C4' energy: -76.014 flat angles P-C4'-P energy: -50.009 tors. eta vs tors. theta energy: -111.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1292.938869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.938869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.938869 (E_RNA) where: Base-Base interactions energy: -956.515 where: short stacking energy: -369.402 Base-Backbone interact. energy: -1.005 local terms energy: -335.419301 where: bonds (distance) C4'-P energy: -60.996 bonds (distance) P-C4' energy: -51.931 flat angles C4'-P-C4' energy: -65.126 flat angles P-C4'-P energy: -43.814 tors. eta vs tors. theta energy: -113.551 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: 8 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1222.185111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.185111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.185111 (E_RNA) where: Base-Base interactions energy: -888.116 where: short stacking energy: -341.532 Base-Backbone interact. energy: 1.876 local terms energy: -335.944811 where: bonds (distance) C4'-P energy: -62.663 bonds (distance) P-C4' energy: -70.622 flat angles C4'-P-C4' energy: -71.640 flat angles P-C4'-P energy: -44.010 tors. eta vs tors. theta energy: -87.010 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: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1171.297962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.297962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.297962 (E_RNA) where: Base-Base interactions energy: -840.073 where: short stacking energy: -329.694 Base-Backbone interact. energy: 0.362 local terms energy: -331.587420 where: bonds (distance) C4'-P energy: -73.954 bonds (distance) P-C4' energy: -54.821 flat angles C4'-P-C4' energy: -62.551 flat angles P-C4'-P energy: -45.381 tors. eta vs tors. theta energy: -94.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1707.305211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.305211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.305211 (E_RNA) where: Base-Base interactions energy: -1242.776 where: short stacking energy: -474.185 Base-Backbone interact. energy: -0.048 local terms energy: -464.481602 where: bonds (distance) C4'-P energy: -78.629 bonds (distance) P-C4' energy: -74.054 flat angles C4'-P-C4' energy: -91.693 flat angles P-C4'-P energy: -69.121 tors. eta vs tors. theta energy: -150.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1570.069899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.069899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.069899 (E_RNA) where: Base-Base interactions energy: -1139.749 where: short stacking energy: -430.128 Base-Backbone interact. energy: -1.244 local terms energy: -429.076873 where: bonds (distance) C4'-P energy: -76.892 bonds (distance) P-C4' energy: -76.579 flat angles C4'-P-C4' energy: -92.824 flat angles P-C4'-P energy: -57.666 tors. eta vs tors. theta energy: -125.115 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: 3, replica: 2 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1565.445176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.445176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.445176 (E_RNA) where: Base-Base interactions energy: -1156.462 where: short stacking energy: -452.375 Base-Backbone interact. energy: -1.138 local terms energy: -407.844829 where: bonds (distance) C4'-P energy: -60.676 bonds (distance) P-C4' energy: -71.302 flat angles C4'-P-C4' energy: -93.653 flat angles P-C4'-P energy: -59.354 tors. eta vs tors. theta energy: -122.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1521.387616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.387616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.387616 (E_RNA) where: Base-Base interactions energy: -1112.889 where: short stacking energy: -434.286 Base-Backbone interact. energy: 1.143 local terms energy: -409.641396 where: bonds (distance) C4'-P energy: -75.577 bonds (distance) P-C4' energy: -74.891 flat angles C4'-P-C4' energy: -82.958 flat angles P-C4'-P energy: -47.992 tors. eta vs tors. theta energy: -128.225 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: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1470.171786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.171786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.171786 (E_RNA) where: Base-Base interactions energy: -1087.182 where: short stacking energy: -417.875 Base-Backbone interact. energy: -1.892 local terms energy: -381.097929 where: bonds (distance) C4'-P energy: -65.599 bonds (distance) P-C4' energy: -64.546 flat angles C4'-P-C4' energy: -74.883 flat angles P-C4'-P energy: -57.646 tors. eta vs tors. theta energy: -118.424 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: 6, replica: 3 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1413.177935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.177935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.177935 (E_RNA) where: Base-Base interactions energy: -1012.754 where: short stacking energy: -390.257 Base-Backbone interact. energy: -0.153 local terms energy: -400.271396 where: bonds (distance) C4'-P energy: -67.496 bonds (distance) P-C4' energy: -70.736 flat angles C4'-P-C4' energy: -80.892 flat angles P-C4'-P energy: -61.595 tors. eta vs tors. theta energy: -119.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1316.089737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.089737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.089737 (E_RNA) where: Base-Base interactions energy: -945.114 where: short stacking energy: -352.786 Base-Backbone interact. energy: -0.422 local terms energy: -370.553466 where: bonds (distance) C4'-P energy: -60.826 bonds (distance) P-C4' energy: -70.843 flat angles C4'-P-C4' energy: -82.634 flat angles P-C4'-P energy: -56.113 tors. eta vs tors. theta energy: -100.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1317.031268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.031268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.031268 (E_RNA) where: Base-Base interactions energy: -951.404 where: short stacking energy: -370.437 Base-Backbone interact. energy: -0.941 local terms energy: -364.686261 where: bonds (distance) C4'-P energy: -69.218 bonds (distance) P-C4' energy: -67.918 flat angles C4'-P-C4' energy: -70.456 flat angles P-C4'-P energy: -52.754 tors. eta vs tors. theta energy: -104.340 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: 9, replica: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1221.383156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.383156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.383156 (E_RNA) where: Base-Base interactions energy: -882.819 where: short stacking energy: -336.338 Base-Backbone interact. energy: -0.616 local terms energy: -337.947981 where: bonds (distance) C4'-P energy: -53.238 bonds (distance) P-C4' energy: -57.981 flat angles C4'-P-C4' energy: -75.277 flat angles P-C4'-P energy: -52.826 tors. eta vs tors. theta energy: -98.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1228.578881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.578881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.578881 (E_RNA) where: Base-Base interactions energy: -905.028 where: short stacking energy: -357.620 Base-Backbone interact. energy: -2.287 local terms energy: -321.264149 where: bonds (distance) C4'-P energy: -54.345 bonds (distance) P-C4' energy: -59.833 flat angles C4'-P-C4' energy: -70.174 flat angles P-C4'-P energy: -37.772 tors. eta vs tors. theta energy: -99.141 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: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1717.242243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.242243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.242243 (E_RNA) where: Base-Base interactions energy: -1253.032 where: short stacking energy: -492.250 Base-Backbone interact. energy: -0.363 local terms energy: -463.848119 where: bonds (distance) C4'-P energy: -77.828 bonds (distance) P-C4' energy: -76.967 flat angles C4'-P-C4' energy: -96.861 flat angles P-C4'-P energy: -63.407 tors. eta vs tors. theta energy: -148.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1579.464207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.464207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.464207 (E_RNA) where: Base-Base interactions energy: -1153.742 where: short stacking energy: -446.600 Base-Backbone interact. energy: 0.431 local terms energy: -426.153855 where: bonds (distance) C4'-P energy: -72.867 bonds (distance) P-C4' energy: -80.055 flat angles C4'-P-C4' energy: -85.416 flat angles P-C4'-P energy: -62.265 tors. eta vs tors. theta energy: -125.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1551.413563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.413563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.413563 (E_RNA) where: Base-Base interactions energy: -1145.319 where: short stacking energy: -429.134 Base-Backbone interact. energy: -0.085 local terms energy: -406.009462 where: bonds (distance) C4'-P energy: -75.493 bonds (distance) P-C4' energy: -73.113 flat angles C4'-P-C4' energy: -78.750 flat angles P-C4'-P energy: -57.328 tors. eta vs tors. theta energy: -121.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1529.311798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.311798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.311798 (E_RNA) where: Base-Base interactions energy: -1100.770 where: short stacking energy: -434.186 Base-Backbone interact. energy: -0.055 local terms energy: -428.486215 where: bonds (distance) C4'-P energy: -67.350 bonds (distance) P-C4' energy: -76.496 flat angles C4'-P-C4' energy: -91.943 flat angles P-C4'-P energy: -64.597 tors. eta vs tors. theta energy: -128.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1453.926663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.926663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.926663 (E_RNA) where: Base-Base interactions energy: -1057.265 where: short stacking energy: -402.478 Base-Backbone interact. energy: -1.997 local terms energy: -394.665175 where: bonds (distance) C4'-P energy: -71.362 bonds (distance) P-C4' energy: -64.906 flat angles C4'-P-C4' energy: -83.110 flat angles P-C4'-P energy: -57.475 tors. eta vs tors. theta energy: -117.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1427.032264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.032264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.032264 (E_RNA) where: Base-Base interactions energy: -1024.539 where: short stacking energy: -404.363 Base-Backbone interact. energy: 0.018 local terms energy: -402.511262 where: bonds (distance) C4'-P energy: -64.761 bonds (distance) P-C4' energy: -65.107 flat angles C4'-P-C4' energy: -85.841 flat angles P-C4'-P energy: -67.479 tors. eta vs tors. theta energy: -119.324 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: 7, replica: 7 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1309.966053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.966053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.966053 (E_RNA) where: Base-Base interactions energy: -940.243 where: short stacking energy: -357.142 Base-Backbone interact. energy: 2.370 local terms energy: -372.093237 where: bonds (distance) C4'-P energy: -69.496 bonds (distance) P-C4' energy: -58.045 flat angles C4'-P-C4' energy: -81.128 flat angles P-C4'-P energy: -55.563 tors. eta vs tors. theta energy: -107.863 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: 4 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1339.579130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.579130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.579130 (E_RNA) where: Base-Base interactions energy: -975.067 where: short stacking energy: -380.253 Base-Backbone interact. energy: -1.349 local terms energy: -363.163075 where: bonds (distance) C4'-P energy: -59.002 bonds (distance) P-C4' energy: -57.993 flat angles C4'-P-C4' energy: -78.512 flat angles P-C4'-P energy: -53.661 tors. eta vs tors. theta energy: -113.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1224.887760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.887760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.887760 (E_RNA) where: Base-Base interactions energy: -868.576 where: short stacking energy: -343.453 Base-Backbone interact. energy: 0.029 local terms energy: -356.341082 where: bonds (distance) C4'-P energy: -56.414 bonds (distance) P-C4' energy: -76.386 flat angles C4'-P-C4' energy: -71.055 flat angles P-C4'-P energy: -52.399 tors. eta vs tors. theta energy: -100.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1193.269562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.269562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.269562 (E_RNA) where: Base-Base interactions energy: -879.473 where: short stacking energy: -330.456 Base-Backbone interact. energy: -0.427 local terms energy: -313.369769 where: bonds (distance) C4'-P energy: -48.219 bonds (distance) P-C4' energy: -58.833 flat angles C4'-P-C4' energy: -74.412 flat angles P-C4'-P energy: -43.527 tors. eta vs tors. theta energy: -88.378 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: 1, replica: 5 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1710.319804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.319804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.319804 (E_RNA) where: Base-Base interactions energy: -1233.585 where: short stacking energy: -484.212 Base-Backbone interact. energy: -0.289 local terms energy: -476.445530 where: bonds (distance) C4'-P energy: -82.385 bonds (distance) P-C4' energy: -78.653 flat angles C4'-P-C4' energy: -96.448 flat angles P-C4'-P energy: -68.226 tors. eta vs tors. theta energy: -150.733 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: 310 Temperature: 0.950000 Total energy: -1560.735388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.735388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.735388 (E_RNA) where: Base-Base interactions energy: -1142.272 where: short stacking energy: -438.926 Base-Backbone interact. energy: 0.455 local terms energy: -418.918198 where: bonds (distance) C4'-P energy: -67.344 bonds (distance) P-C4' energy: -80.705 flat angles C4'-P-C4' energy: -88.566 flat angles P-C4'-P energy: -59.720 tors. eta vs tors. theta energy: -122.584 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: 3, replica: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1554.998761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.998761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.998761 (E_RNA) where: Base-Base interactions energy: -1144.536 where: short stacking energy: -431.420 Base-Backbone interact. energy: 2.667 local terms energy: -413.129517 where: bonds (distance) C4'-P energy: -71.981 bonds (distance) P-C4' energy: -65.580 flat angles C4'-P-C4' energy: -87.039 flat angles P-C4'-P energy: -59.095 tors. eta vs tors. theta energy: -129.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1522.088053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.088053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.088053 (E_RNA) where: Base-Base interactions energy: -1121.419 where: short stacking energy: -439.745 Base-Backbone interact. energy: -0.805 local terms energy: -399.864176 where: bonds (distance) C4'-P energy: -65.319 bonds (distance) P-C4' energy: -59.773 flat angles C4'-P-C4' energy: -78.434 flat angles P-C4'-P energy: -64.931 tors. eta vs tors. theta energy: -131.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1436.636127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.636127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.636127 (E_RNA) where: Base-Base interactions energy: -1046.785 where: short stacking energy: -407.539 Base-Backbone interact. energy: -0.999 local terms energy: -388.852197 where: bonds (distance) C4'-P energy: -68.316 bonds (distance) P-C4' energy: -61.544 flat angles C4'-P-C4' energy: -76.575 flat angles P-C4'-P energy: -63.600 tors. eta vs tors. theta energy: -118.817 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: 6, replica: 3 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1417.041987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.041987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.041987 (E_RNA) where: Base-Base interactions energy: -1017.123 where: short stacking energy: -385.843 Base-Backbone interact. energy: -0.767 local terms energy: -399.152518 where: bonds (distance) C4'-P energy: -72.400 bonds (distance) P-C4' energy: -66.592 flat angles C4'-P-C4' energy: -86.212 flat angles P-C4'-P energy: -60.143 tors. eta vs tors. theta energy: -113.805 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: 310 Temperature: 1.200000 Total energy: -1391.107737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.107737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.107737 (E_RNA) where: Base-Base interactions energy: -1013.121 where: short stacking energy: -382.173 Base-Backbone interact. energy: -0.646 local terms energy: -377.341209 where: bonds (distance) C4'-P energy: -80.271 bonds (distance) P-C4' energy: -51.966 flat angles C4'-P-C4' energy: -79.575 flat angles P-C4'-P energy: -54.980 tors. eta vs tors. theta energy: -110.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1268.888907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.888907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.888907 (E_RNA) where: Base-Base interactions energy: -900.349 where: short stacking energy: -361.263 Base-Backbone interact. energy: -0.531 local terms energy: -368.008637 where: bonds (distance) C4'-P energy: -75.862 bonds (distance) P-C4' energy: -59.110 flat angles C4'-P-C4' energy: -85.110 flat angles P-C4'-P energy: -40.162 tors. eta vs tors. theta energy: -107.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1224.611926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.611926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.611926 (E_RNA) where: Base-Base interactions energy: -896.987 where: short stacking energy: -338.203 Base-Backbone interact. energy: 0.190 local terms energy: -327.814718 where: bonds (distance) C4'-P energy: -63.452 bonds (distance) P-C4' energy: -51.380 flat angles C4'-P-C4' energy: -69.892 flat angles P-C4'-P energy: -50.852 tors. eta vs tors. theta energy: -92.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1156.843586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.843586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.843586 (E_RNA) where: Base-Base interactions energy: -808.027 where: short stacking energy: -317.797 Base-Backbone interact. energy: -0.762 local terms energy: -348.054172 where: bonds (distance) C4'-P energy: -56.349 bonds (distance) P-C4' energy: -66.030 flat angles C4'-P-C4' energy: -75.870 flat angles P-C4'-P energy: -51.227 tors. eta vs tors. theta energy: -98.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1716.184484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.184484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.184484 (E_RNA) where: Base-Base interactions energy: -1264.554 where: short stacking energy: -489.752 Base-Backbone interact. energy: -0.759 local terms energy: -450.871792 where: bonds (distance) C4'-P energy: -71.064 bonds (distance) P-C4' energy: -81.845 flat angles C4'-P-C4' energy: -91.093 flat angles P-C4'-P energy: -58.713 tors. eta vs tors. theta energy: -148.157 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: 311 Temperature: 0.950000 Total energy: -1568.424176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.424176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.424176 (E_RNA) where: Base-Base interactions energy: -1149.260 where: short stacking energy: -443.077 Base-Backbone interact. energy: -0.908 local terms energy: -418.255956 where: bonds (distance) C4'-P energy: -78.057 bonds (distance) P-C4' energy: -67.812 flat angles C4'-P-C4' energy: -83.145 flat angles P-C4'-P energy: -62.741 tors. eta vs tors. theta energy: -126.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1547.820655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.820655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.820655 (E_RNA) where: Base-Base interactions energy: -1138.103 where: short stacking energy: -431.483 Base-Backbone interact. energy: 0.078 local terms energy: -409.795398 where: bonds (distance) C4'-P energy: -65.330 bonds (distance) P-C4' energy: -75.914 flat angles C4'-P-C4' energy: -84.072 flat angles P-C4'-P energy: -61.183 tors. eta vs tors. theta energy: -123.296 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: 10 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1535.097073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.097073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.097073 (E_RNA) where: Base-Base interactions energy: -1091.868 where: short stacking energy: -432.065 Base-Backbone interact. energy: 0.868 local terms energy: -444.097424 where: bonds (distance) C4'-P energy: -75.846 bonds (distance) P-C4' energy: -79.760 flat angles C4'-P-C4' energy: -89.240 flat angles P-C4'-P energy: -71.146 tors. eta vs tors. theta energy: -128.106 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: 1 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1419.152754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.152754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.152754 (E_RNA) where: Base-Base interactions energy: -1023.088 where: short stacking energy: -394.950 Base-Backbone interact. energy: -0.955 local terms energy: -395.108984 where: bonds (distance) C4'-P energy: -75.424 bonds (distance) P-C4' energy: -76.452 flat angles C4'-P-C4' energy: -72.887 flat angles P-C4'-P energy: -58.923 tors. eta vs tors. theta energy: -111.424 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: 6, replica: 3 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1414.144963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.144963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.144963 (E_RNA) where: Base-Base interactions energy: -1022.517 where: short stacking energy: -402.623 Base-Backbone interact. energy: -1.980 local terms energy: -389.647714 where: bonds (distance) C4'-P energy: -65.671 bonds (distance) P-C4' energy: -73.318 flat angles C4'-P-C4' energy: -78.054 flat angles P-C4'-P energy: -47.134 tors. eta vs tors. theta energy: -125.471 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: 4 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1358.198833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.198833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.198833 (E_RNA) where: Base-Base interactions energy: -985.796 where: short stacking energy: -376.111 Base-Backbone interact. energy: -1.104 local terms energy: -371.298352 where: bonds (distance) C4'-P energy: -62.892 bonds (distance) P-C4' energy: -57.563 flat angles C4'-P-C4' energy: -85.475 flat angles P-C4'-P energy: -55.135 tors. eta vs tors. theta energy: -110.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1264.731626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.731626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.731626 (E_RNA) where: Base-Base interactions energy: -908.268 where: short stacking energy: -335.945 Base-Backbone interact. energy: -0.892 local terms energy: -355.571613 where: bonds (distance) C4'-P energy: -66.226 bonds (distance) P-C4' energy: -68.322 flat angles C4'-P-C4' energy: -68.341 flat angles P-C4'-P energy: -49.835 tors. eta vs tors. theta energy: -102.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1206.009470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.009470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.009470 (E_RNA) where: Base-Base interactions energy: -870.637 where: short stacking energy: -353.939 Base-Backbone interact. energy: 0.930 local terms energy: -336.302303 where: bonds (distance) C4'-P energy: -60.101 bonds (distance) P-C4' energy: -54.888 flat angles C4'-P-C4' energy: -82.344 flat angles P-C4'-P energy: -41.913 tors. eta vs tors. theta energy: -97.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1192.638468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.638468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.638468 (E_RNA) where: Base-Base interactions energy: -855.442 where: short stacking energy: -344.508 Base-Backbone interact. energy: -2.588 local terms energy: -334.608460 where: bonds (distance) C4'-P energy: -64.597 bonds (distance) P-C4' energy: -59.624 flat angles C4'-P-C4' energy: -62.997 flat angles P-C4'-P energy: -45.505 tors. eta vs tors. theta energy: -101.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1719.184913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.184913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.184913 (E_RNA) where: Base-Base interactions energy: -1248.878 where: short stacking energy: -486.010 Base-Backbone interact. energy: -0.006 local terms energy: -470.300687 where: bonds (distance) C4'-P energy: -74.672 bonds (distance) P-C4' energy: -79.659 flat angles C4'-P-C4' energy: -95.803 flat angles P-C4'-P energy: -68.553 tors. eta vs tors. theta energy: -151.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1570.955690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.955690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.955690 (E_RNA) where: Base-Base interactions energy: -1139.523 where: short stacking energy: -437.208 Base-Backbone interact. energy: -0.231 local terms energy: -431.201340 where: bonds (distance) C4'-P energy: -73.826 bonds (distance) P-C4' energy: -78.662 flat angles C4'-P-C4' energy: -90.499 flat angles P-C4'-P energy: -57.346 tors. eta vs tors. theta energy: -130.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1546.975357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.975357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.975357 (E_RNA) where: Base-Base interactions energy: -1146.146 where: short stacking energy: -422.421 Base-Backbone interact. energy: 0.808 local terms energy: -401.636653 where: bonds (distance) C4'-P energy: -55.235 bonds (distance) P-C4' energy: -75.951 flat angles C4'-P-C4' energy: -89.318 flat angles P-C4'-P energy: -55.266 tors. eta vs tors. theta energy: -125.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1498.326577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.326577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.326577 (E_RNA) where: Base-Base interactions energy: -1079.826 where: short stacking energy: -418.261 Base-Backbone interact. energy: -0.628 local terms energy: -417.872922 where: bonds (distance) C4'-P energy: -63.272 bonds (distance) P-C4' energy: -74.799 flat angles C4'-P-C4' energy: -81.447 flat angles P-C4'-P energy: -66.031 tors. eta vs tors. theta energy: -132.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1440.587874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.587874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.587874 (E_RNA) where: Base-Base interactions energy: -1039.060 where: short stacking energy: -401.257 Base-Backbone interact. energy: -0.513 local terms energy: -401.015335 where: bonds (distance) C4'-P energy: -68.251 bonds (distance) P-C4' energy: -72.527 flat angles C4'-P-C4' energy: -85.542 flat angles P-C4'-P energy: -53.932 tors. eta vs tors. theta energy: -120.764 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: 6, replica: 1 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1388.677009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.677009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.677009 (E_RNA) where: Base-Base interactions energy: -990.646 where: short stacking energy: -392.995 Base-Backbone interact. energy: 0.287 local terms energy: -398.317630 where: bonds (distance) C4'-P energy: -62.105 bonds (distance) P-C4' energy: -74.876 flat angles C4'-P-C4' energy: -85.519 flat angles P-C4'-P energy: -59.785 tors. eta vs tors. theta energy: -116.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1360.607813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.607813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.607813 (E_RNA) where: Base-Base interactions energy: -1006.752 where: short stacking energy: -381.188 Base-Backbone interact. energy: 1.325 local terms energy: -355.181187 where: bonds (distance) C4'-P energy: -48.321 bonds (distance) P-C4' energy: -68.662 flat angles C4'-P-C4' energy: -87.226 flat angles P-C4'-P energy: -41.250 tors. eta vs tors. theta energy: -109.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1283.878850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.878850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.878850 (E_RNA) where: Base-Base interactions energy: -942.087 where: short stacking energy: -362.370 Base-Backbone interact. energy: -1.188 local terms energy: -340.603725 where: bonds (distance) C4'-P energy: -59.804 bonds (distance) P-C4' energy: -54.931 flat angles C4'-P-C4' energy: -73.362 flat angles P-C4'-P energy: -35.955 tors. eta vs tors. theta energy: -116.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1285.602859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.602859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.602859 (E_RNA) where: Base-Base interactions energy: -924.875 where: short stacking energy: -358.501 Base-Backbone interact. energy: 0.173 local terms energy: -360.900962 where: bonds (distance) C4'-P energy: -52.355 bonds (distance) P-C4' energy: -63.868 flat angles C4'-P-C4' energy: -84.511 flat angles P-C4'-P energy: -55.998 tors. eta vs tors. theta energy: -104.169 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: 8 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1146.811545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.811545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.811545 (E_RNA) where: Base-Base interactions energy: -814.898 where: short stacking energy: -313.091 Base-Backbone interact. energy: 4.228 local terms energy: -336.141133 where: bonds (distance) C4'-P energy: -64.824 bonds (distance) P-C4' energy: -62.360 flat angles C4'-P-C4' energy: -67.913 flat angles P-C4'-P energy: -47.344 tors. eta vs tors. theta energy: -93.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1725.860466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.860466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.860466 (E_RNA) where: Base-Base interactions energy: -1257.057 where: short stacking energy: -489.413 Base-Backbone interact. energy: -0.006 local terms energy: -468.797927 where: bonds (distance) C4'-P energy: -72.748 bonds (distance) P-C4' energy: -79.169 flat angles C4'-P-C4' energy: -96.717 flat angles P-C4'-P energy: -69.982 tors. eta vs tors. theta energy: -150.183 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: 9 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1551.080214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.080214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.080214 (E_RNA) where: Base-Base interactions energy: -1140.654 where: short stacking energy: -432.871 Base-Backbone interact. energy: 0.580 local terms energy: -411.006478 where: bonds (distance) C4'-P energy: -72.868 bonds (distance) P-C4' energy: -71.859 flat angles C4'-P-C4' energy: -88.886 flat angles P-C4'-P energy: -53.804 tors. eta vs tors. theta energy: -123.589 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: 2 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1564.646420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.646420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.646420 (E_RNA) where: Base-Base interactions energy: -1152.703 where: short stacking energy: -445.178 Base-Backbone interact. energy: -0.606 local terms energy: -411.337617 where: bonds (distance) C4'-P energy: -68.454 bonds (distance) P-C4' energy: -62.973 flat angles C4'-P-C4' energy: -87.343 flat angles P-C4'-P energy: -63.523 tors. eta vs tors. theta energy: -129.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1520.738709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.738709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.738709 (E_RNA) where: Base-Base interactions energy: -1108.536 where: short stacking energy: -428.345 Base-Backbone interact. energy: 0.839 local terms energy: -413.041727 where: bonds (distance) C4'-P energy: -65.511 bonds (distance) P-C4' energy: -72.880 flat angles C4'-P-C4' energy: -87.874 flat angles P-C4'-P energy: -59.027 tors. eta vs tors. theta energy: -127.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1440.018101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.018101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.018101 (E_RNA) where: Base-Base interactions energy: -1032.029 where: short stacking energy: -390.037 Base-Backbone interact. energy: -1.510 local terms energy: -406.479051 where: bonds (distance) C4'-P energy: -58.697 bonds (distance) P-C4' energy: -81.395 flat angles C4'-P-C4' energy: -79.996 flat angles P-C4'-P energy: -64.529 tors. eta vs tors. theta energy: -121.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1419.953596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.953596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.953596 (E_RNA) where: Base-Base interactions energy: -1024.192 where: short stacking energy: -387.307 Base-Backbone interact. energy: -2.727 local terms energy: -393.034828 where: bonds (distance) C4'-P energy: -65.774 bonds (distance) P-C4' energy: -82.594 flat angles C4'-P-C4' energy: -76.046 flat angles P-C4'-P energy: -57.504 tors. eta vs tors. theta energy: -111.116 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: 4 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1352.798088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.798088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.798088 (E_RNA) where: Base-Base interactions energy: -999.022 where: short stacking energy: -373.282 Base-Backbone interact. energy: 4.940 local terms energy: -358.715531 where: bonds (distance) C4'-P energy: -64.635 bonds (distance) P-C4' energy: -52.816 flat angles C4'-P-C4' energy: -78.673 flat angles P-C4'-P energy: -50.210 tors. eta vs tors. theta energy: -112.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1316.472535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.472535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.472535 (E_RNA) where: Base-Base interactions energy: -973.741 where: short stacking energy: -367.251 Base-Backbone interact. energy: -1.767 local terms energy: -340.964011 where: bonds (distance) C4'-P energy: -69.475 bonds (distance) P-C4' energy: -59.591 flat angles C4'-P-C4' energy: -67.456 flat angles P-C4'-P energy: -40.198 tors. eta vs tors. theta energy: -104.243 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: 7 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1230.448631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.448631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.448631 (E_RNA) where: Base-Base interactions energy: -889.872 where: short stacking energy: -347.973 Base-Backbone interact. energy: -0.654 local terms energy: -339.922600 where: bonds (distance) C4'-P energy: -48.870 bonds (distance) P-C4' energy: -59.064 flat angles C4'-P-C4' energy: -79.384 flat angles P-C4'-P energy: -50.758 tors. eta vs tors. theta energy: -101.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1150.248878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.248878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.248878 (E_RNA) where: Base-Base interactions energy: -813.031 where: short stacking energy: -316.421 Base-Backbone interact. energy: 0.650 local terms energy: -337.868036 where: bonds (distance) C4'-P energy: -52.837 bonds (distance) P-C4' energy: -62.272 flat angles C4'-P-C4' energy: -71.800 flat angles P-C4'-P energy: -56.977 tors. eta vs tors. theta energy: -93.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1718.402699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.402699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.402699 (E_RNA) where: Base-Base interactions energy: -1246.100 where: short stacking energy: -480.795 Base-Backbone interact. energy: -1.046 local terms energy: -471.256599 where: bonds (distance) C4'-P energy: -72.321 bonds (distance) P-C4' energy: -82.114 flat angles C4'-P-C4' energy: -100.153 flat angles P-C4'-P energy: -63.799 tors. eta vs tors. theta energy: -152.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1558.245002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.245002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.245002 (E_RNA) where: Base-Base interactions energy: -1147.503 where: short stacking energy: -427.877 Base-Backbone interact. energy: 0.850 local terms energy: -411.592383 where: bonds (distance) C4'-P energy: -76.425 bonds (distance) P-C4' energy: -70.145 flat angles C4'-P-C4' energy: -89.941 flat angles P-C4'-P energy: -53.778 tors. eta vs tors. theta energy: -121.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1557.440263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.440263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.440263 (E_RNA) where: Base-Base interactions energy: -1123.094 where: short stacking energy: -426.198 Base-Backbone interact. energy: -0.247 local terms energy: -434.099686 where: bonds (distance) C4'-P energy: -83.905 bonds (distance) P-C4' energy: -74.243 flat angles C4'-P-C4' energy: -82.676 flat angles P-C4'-P energy: -61.167 tors. eta vs tors. theta energy: -132.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1517.673256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.673256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.673256 (E_RNA) where: Base-Base interactions energy: -1126.376 where: short stacking energy: -433.735 Base-Backbone interact. energy: -0.234 local terms energy: -391.063490 where: bonds (distance) C4'-P energy: -63.939 bonds (distance) P-C4' energy: -67.107 flat angles C4'-P-C4' energy: -85.176 flat angles P-C4'-P energy: -41.449 tors. eta vs tors. theta energy: -133.392 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: 314 Temperature: 1.100000 Total energy: -1445.959692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.959692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.959692 (E_RNA) where: Base-Base interactions energy: -1028.667 where: short stacking energy: -409.098 Base-Backbone interact. energy: 0.392 local terms energy: -417.684705 where: bonds (distance) C4'-P energy: -73.474 bonds (distance) P-C4' energy: -70.485 flat angles C4'-P-C4' energy: -87.986 flat angles P-C4'-P energy: -63.817 tors. eta vs tors. theta energy: -121.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1440.384189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.384189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.384189 (E_RNA) where: Base-Base interactions energy: -1042.500 where: short stacking energy: -411.355 Base-Backbone interact. energy: -1.155 local terms energy: -396.729665 where: bonds (distance) C4'-P energy: -68.661 bonds (distance) P-C4' energy: -68.505 flat angles C4'-P-C4' energy: -83.346 flat angles P-C4'-P energy: -54.710 tors. eta vs tors. theta energy: -121.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1337.321589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.321589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.321589 (E_RNA) where: Base-Base interactions energy: -967.167 where: short stacking energy: -373.951 Base-Backbone interact. energy: -0.713 local terms energy: -369.441011 where: bonds (distance) C4'-P energy: -78.924 bonds (distance) P-C4' energy: -64.116 flat angles C4'-P-C4' energy: -68.815 flat angles P-C4'-P energy: -54.536 tors. eta vs tors. theta energy: -103.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1344.943558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.943558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.943558 (E_RNA) where: Base-Base interactions energy: -999.414 where: short stacking energy: -384.532 Base-Backbone interact. energy: -0.461 local terms energy: -345.068642 where: bonds (distance) C4'-P energy: -52.650 bonds (distance) P-C4' energy: -62.563 flat angles C4'-P-C4' energy: -65.371 flat angles P-C4'-P energy: -46.564 tors. eta vs tors. theta energy: -117.920 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: 7 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1207.911326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.911326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.911326 (E_RNA) where: Base-Base interactions energy: -874.171 where: short stacking energy: -341.732 Base-Backbone interact. energy: -1.462 local terms energy: -332.278375 where: bonds (distance) C4'-P energy: -52.296 bonds (distance) P-C4' energy: -64.356 flat angles C4'-P-C4' energy: -70.637 flat angles P-C4'-P energy: -50.988 tors. eta vs tors. theta energy: -94.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1157.581941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.581941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.581941 (E_RNA) where: Base-Base interactions energy: -830.773 where: short stacking energy: -330.553 Base-Backbone interact. energy: -1.043 local terms energy: -325.765991 where: bonds (distance) C4'-P energy: -57.713 bonds (distance) P-C4' energy: -58.934 flat angles C4'-P-C4' energy: -74.576 flat angles P-C4'-P energy: -44.119 tors. eta vs tors. theta energy: -90.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1705.100461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.100461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.100461 (E_RNA) where: Base-Base interactions energy: -1246.032 where: short stacking energy: -488.183 Base-Backbone interact. energy: -1.340 local terms energy: -457.729022 where: bonds (distance) C4'-P energy: -67.795 bonds (distance) P-C4' energy: -81.557 flat angles C4'-P-C4' energy: -89.956 flat angles P-C4'-P energy: -69.035 tors. eta vs tors. theta energy: -149.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1569.689052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.689052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.689052 (E_RNA) where: Base-Base interactions energy: -1158.673 where: short stacking energy: -435.086 Base-Backbone interact. energy: -0.725 local terms energy: -410.290569 where: bonds (distance) C4'-P energy: -68.360 bonds (distance) P-C4' energy: -73.467 flat angles C4'-P-C4' energy: -85.186 flat angles P-C4'-P energy: -59.568 tors. eta vs tors. theta energy: -123.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1552.541566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.541566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.541566 (E_RNA) where: Base-Base interactions energy: -1144.882 where: short stacking energy: -447.648 Base-Backbone interact. energy: -0.365 local terms energy: -407.294624 where: bonds (distance) C4'-P energy: -61.719 bonds (distance) P-C4' energy: -73.370 flat angles C4'-P-C4' energy: -88.992 flat angles P-C4'-P energy: -52.195 tors. eta vs tors. theta energy: -131.018 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: 4, replica: 10 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1488.242113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.242113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.242113 (E_RNA) where: Base-Base interactions energy: -1082.036 where: short stacking energy: -434.535 Base-Backbone interact. energy: -0.453 local terms energy: -405.753225 where: bonds (distance) C4'-P energy: -67.403 bonds (distance) P-C4' energy: -58.417 flat angles C4'-P-C4' energy: -92.330 flat angles P-C4'-P energy: -58.166 tors. eta vs tors. theta energy: -129.437 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: 3 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1464.989525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.989525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.989525 (E_RNA) where: Base-Base interactions energy: -1061.586 where: short stacking energy: -417.356 Base-Backbone interact. energy: -2.419 local terms energy: -400.984721 where: bonds (distance) C4'-P energy: -68.061 bonds (distance) P-C4' energy: -62.460 flat angles C4'-P-C4' energy: -83.909 flat angles P-C4'-P energy: -60.020 tors. eta vs tors. theta energy: -126.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1381.231174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.231174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.231174 (E_RNA) where: Base-Base interactions energy: -982.927 where: short stacking energy: -390.311 Base-Backbone interact. energy: -0.629 local terms energy: -397.675352 where: bonds (distance) C4'-P energy: -70.816 bonds (distance) P-C4' energy: -68.480 flat angles C4'-P-C4' energy: -92.108 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: -114.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1356.604649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.604649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.604649 (E_RNA) where: Base-Base interactions energy: -980.877 where: short stacking energy: -384.469 Base-Backbone interact. energy: -0.536 local terms energy: -375.192021 where: bonds (distance) C4'-P energy: -57.656 bonds (distance) P-C4' energy: -57.784 flat angles C4'-P-C4' energy: -86.712 flat angles P-C4'-P energy: -56.605 tors. eta vs tors. theta energy: -116.435 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: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1334.771540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.771540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.771540 (E_RNA) where: Base-Base interactions energy: -977.344 where: short stacking energy: -369.906 Base-Backbone interact. energy: -0.233 local terms energy: -357.194405 where: bonds (distance) C4'-P energy: -65.731 bonds (distance) P-C4' energy: -52.087 flat angles C4'-P-C4' energy: -82.100 flat angles P-C4'-P energy: -47.973 tors. eta vs tors. theta energy: -109.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1259.097490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.097490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.097490 (E_RNA) where: Base-Base interactions energy: -898.201 where: short stacking energy: -341.469 Base-Backbone interact. energy: -0.599 local terms energy: -360.296783 where: bonds (distance) C4'-P energy: -61.711 bonds (distance) P-C4' energy: -63.918 flat angles C4'-P-C4' energy: -73.555 flat angles P-C4'-P energy: -52.143 tors. eta vs tors. theta energy: -108.969 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: 8 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -1141.794379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.794379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.794379 (E_RNA) where: Base-Base interactions energy: -798.335 where: short stacking energy: -307.238 Base-Backbone interact. energy: -1.290 local terms energy: -342.169850 where: bonds (distance) C4'-P energy: -55.710 bonds (distance) P-C4' energy: -67.137 flat angles C4'-P-C4' energy: -73.467 flat angles P-C4'-P energy: -54.717 tors. eta vs tors. theta energy: -91.140 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: 1, replica: 5 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1702.595620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.595620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.595620 (E_RNA) where: Base-Base interactions energy: -1230.023 where: short stacking energy: -495.324 Base-Backbone interact. energy: -0.151 local terms energy: -472.421840 where: bonds (distance) C4'-P energy: -88.041 bonds (distance) P-C4' energy: -75.969 flat angles C4'-P-C4' energy: -88.506 flat angles P-C4'-P energy: -68.818 tors. eta vs tors. theta energy: -151.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1563.461355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.461355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.461355 (E_RNA) where: Base-Base interactions energy: -1132.736 where: short stacking energy: -425.347 Base-Backbone interact. energy: -1.683 local terms energy: -429.042049 where: bonds (distance) C4'-P energy: -77.425 bonds (distance) P-C4' energy: -77.412 flat angles C4'-P-C4' energy: -94.909 flat angles P-C4'-P energy: -60.490 tors. eta vs tors. theta energy: -118.806 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: 10 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1527.272000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.272000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.272000 (E_RNA) where: Base-Base interactions energy: -1107.391 where: short stacking energy: -435.732 Base-Backbone interact. energy: -0.427 local terms energy: -419.454685 where: bonds (distance) C4'-P energy: -75.568 bonds (distance) P-C4' energy: -71.972 flat angles C4'-P-C4' energy: -84.198 flat angles P-C4'-P energy: -56.607 tors. eta vs tors. theta energy: -131.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1546.911299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.911299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.911299 (E_RNA) where: Base-Base interactions energy: -1123.421 where: short stacking energy: -447.107 Base-Backbone interact. energy: -0.210 local terms energy: -423.279642 where: bonds (distance) C4'-P energy: -77.504 bonds (distance) P-C4' energy: -71.909 flat angles C4'-P-C4' energy: -86.566 flat angles P-C4'-P energy: -58.210 tors. eta vs tors. theta energy: -129.091 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: 5, replica: 3 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1439.850039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.850039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.850039 (E_RNA) where: Base-Base interactions energy: -1038.057 where: short stacking energy: -401.360 Base-Backbone interact. energy: -0.384 local terms energy: -401.408736 where: bonds (distance) C4'-P energy: -57.521 bonds (distance) P-C4' energy: -73.534 flat angles C4'-P-C4' energy: -93.259 flat angles P-C4'-P energy: -59.433 tors. eta vs tors. theta energy: -117.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1379.718440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.718440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.718440 (E_RNA) where: Base-Base interactions energy: -1007.800 where: short stacking energy: -406.720 Base-Backbone interact. energy: 2.930 local terms energy: -374.848444 where: bonds (distance) C4'-P energy: -52.032 bonds (distance) P-C4' energy: -77.400 flat angles C4'-P-C4' energy: -72.277 flat angles P-C4'-P energy: -57.415 tors. eta vs tors. theta energy: -115.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1375.068095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.068095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.068095 (E_RNA) where: Base-Base interactions energy: -998.486 where: short stacking energy: -412.765 Base-Backbone interact. energy: -0.422 local terms energy: -376.160700 where: bonds (distance) C4'-P energy: -64.692 bonds (distance) P-C4' energy: -62.412 flat angles C4'-P-C4' energy: -80.312 flat angles P-C4'-P energy: -47.836 tors. eta vs tors. theta energy: -120.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1290.358232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.358232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.358232 (E_RNA) where: Base-Base interactions energy: -963.084 where: short stacking energy: -370.868 Base-Backbone interact. energy: -0.396 local terms energy: -326.878141 where: bonds (distance) C4'-P energy: -47.014 bonds (distance) P-C4' energy: -49.321 flat angles C4'-P-C4' energy: -78.296 flat angles P-C4'-P energy: -50.557 tors. eta vs tors. theta energy: -101.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1258.862538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.862538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.862538 (E_RNA) where: Base-Base interactions energy: -919.252 where: short stacking energy: -348.287 Base-Backbone interact. energy: 0.664 local terms energy: -340.274389 where: bonds (distance) C4'-P energy: -65.607 bonds (distance) P-C4' energy: -54.512 flat angles C4'-P-C4' energy: -73.553 flat angles P-C4'-P energy: -42.121 tors. eta vs tors. theta energy: -104.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1082.197633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.197633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.197633 (E_RNA) where: Base-Base interactions energy: -752.663 where: short stacking energy: -318.708 Base-Backbone interact. energy: 1.489 local terms energy: -331.024169 where: bonds (distance) C4'-P energy: -62.078 bonds (distance) P-C4' energy: -69.016 flat angles C4'-P-C4' energy: -61.211 flat angles P-C4'-P energy: -47.727 tors. eta vs tors. theta energy: -90.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1713.501809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.501809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.501809 (E_RNA) where: Base-Base interactions energy: -1259.221 where: short stacking energy: -501.086 Base-Backbone interact. energy: 1.178 local terms energy: -455.458503 where: bonds (distance) C4'-P energy: -76.818 bonds (distance) P-C4' energy: -71.301 flat angles C4'-P-C4' energy: -92.413 flat angles P-C4'-P energy: -65.133 tors. eta vs tors. theta energy: -149.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1571.940964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.940964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.940964 (E_RNA) where: Base-Base interactions energy: -1127.198 where: short stacking energy: -411.571 Base-Backbone interact. energy: -0.843 local terms energy: -443.900045 where: bonds (distance) C4'-P energy: -77.409 bonds (distance) P-C4' energy: -83.045 flat angles C4'-P-C4' energy: -93.792 flat angles P-C4'-P energy: -65.043 tors. eta vs tors. theta energy: -124.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1529.248801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.248801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.248801 (E_RNA) where: Base-Base interactions energy: -1101.722 where: short stacking energy: -427.185 Base-Backbone interact. energy: -0.594 local terms energy: -426.932519 where: bonds (distance) C4'-P energy: -67.674 bonds (distance) P-C4' energy: -76.306 flat angles C4'-P-C4' energy: -92.422 flat angles P-C4'-P energy: -63.800 tors. eta vs tors. theta energy: -126.731 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: 2 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1535.489305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.489305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.489305 (E_RNA) where: Base-Base interactions energy: -1140.009 where: short stacking energy: -448.248 Base-Backbone interact. energy: -1.910 local terms energy: -393.570766 where: bonds (distance) C4'-P energy: -69.583 bonds (distance) P-C4' energy: -53.150 flat angles C4'-P-C4' energy: -85.221 flat angles P-C4'-P energy: -58.916 tors. eta vs tors. theta energy: -126.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1425.646136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.646136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.646136 (E_RNA) where: Base-Base interactions energy: -1030.397 where: short stacking energy: -395.577 Base-Backbone interact. energy: -0.712 local terms energy: -394.537266 where: bonds (distance) C4'-P energy: -69.690 bonds (distance) P-C4' energy: -59.386 flat angles C4'-P-C4' energy: -83.159 flat angles P-C4'-P energy: -56.483 tors. eta vs tors. theta energy: -125.819 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: 6, replica: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1441.630456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.630456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.630456 (E_RNA) where: Base-Base interactions energy: -1049.712 where: short stacking energy: -410.136 Base-Backbone interact. energy: -0.559 local terms energy: -391.360132 where: bonds (distance) C4'-P energy: -61.591 bonds (distance) P-C4' energy: -65.626 flat angles C4'-P-C4' energy: -84.073 flat angles P-C4'-P energy: -61.958 tors. eta vs tors. theta energy: -118.111 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: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1387.422976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.422976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.422976 (E_RNA) where: Base-Base interactions energy: -993.552 where: short stacking energy: -391.311 Base-Backbone interact. energy: -1.340 local terms energy: -392.530658 where: bonds (distance) C4'-P energy: -60.114 bonds (distance) P-C4' energy: -69.445 flat angles C4'-P-C4' energy: -85.891 flat angles P-C4'-P energy: -56.392 tors. eta vs tors. theta energy: -120.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1328.336647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.336647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.336647 (E_RNA) where: Base-Base interactions energy: -965.060 where: short stacking energy: -371.685 Base-Backbone interact. energy: -0.590 local terms energy: -362.687205 where: bonds (distance) C4'-P energy: -48.072 bonds (distance) P-C4' energy: -64.708 flat angles C4'-P-C4' energy: -85.506 flat angles P-C4'-P energy: -56.993 tors. eta vs tors. theta energy: -107.408 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: 9, replica: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1242.972371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.972371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.972371 (E_RNA) where: Base-Base interactions energy: -897.114 where: short stacking energy: -363.266 Base-Backbone interact. energy: 2.077 local terms energy: -347.934702 where: bonds (distance) C4'-P energy: -62.682 bonds (distance) P-C4' energy: -63.891 flat angles C4'-P-C4' energy: -73.703 flat angles P-C4'-P energy: -44.884 tors. eta vs tors. theta energy: -102.774 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: 8 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -1094.428318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.428318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.428318 (E_RNA) where: Base-Base interactions energy: -799.477 where: short stacking energy: -308.807 Base-Backbone interact. energy: -0.420 local terms energy: -294.530548 where: bonds (distance) C4'-P energy: -43.901 bonds (distance) P-C4' energy: -73.154 flat angles C4'-P-C4' energy: -63.904 flat angles P-C4'-P energy: -40.787 tors. eta vs tors. theta energy: -72.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1703.908896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.908896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.908896 (E_RNA) where: Base-Base interactions energy: -1242.368 where: short stacking energy: -475.098 Base-Backbone interact. energy: -0.221 local terms energy: -461.320036 where: bonds (distance) C4'-P energy: -72.242 bonds (distance) P-C4' energy: -72.361 flat angles C4'-P-C4' energy: -94.138 flat angles P-C4'-P energy: -75.038 tors. eta vs tors. theta energy: -147.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1589.986633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.986633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.986633 (E_RNA) where: Base-Base interactions energy: -1153.260 where: short stacking energy: -420.668 Base-Backbone interact. energy: -1.553 local terms energy: -435.173963 where: bonds (distance) C4'-P energy: -81.404 bonds (distance) P-C4' energy: -87.366 flat angles C4'-P-C4' energy: -85.440 flat angles P-C4'-P energy: -56.550 tors. eta vs tors. theta energy: -124.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1547.224830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.224830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.224830 (E_RNA) where: Base-Base interactions energy: -1125.069 where: short stacking energy: -435.132 Base-Backbone interact. energy: 0.119 local terms energy: -422.274629 where: bonds (distance) C4'-P energy: -67.002 bonds (distance) P-C4' energy: -72.638 flat angles C4'-P-C4' energy: -88.907 flat angles P-C4'-P energy: -63.664 tors. eta vs tors. theta energy: -130.063 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: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1511.267368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.267368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.267368 (E_RNA) where: Base-Base interactions energy: -1092.140 where: short stacking energy: -436.313 Base-Backbone interact. energy: -0.012 local terms energy: -419.114911 where: bonds (distance) C4'-P energy: -58.967 bonds (distance) P-C4' energy: -75.866 flat angles C4'-P-C4' energy: -87.373 flat angles P-C4'-P energy: -61.837 tors. eta vs tors. theta energy: -135.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1458.484128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.484128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.484128 (E_RNA) where: Base-Base interactions energy: -1045.663 where: short stacking energy: -408.646 Base-Backbone interact. energy: 0.695 local terms energy: -413.516320 where: bonds (distance) C4'-P energy: -61.486 bonds (distance) P-C4' energy: -80.450 flat angles C4'-P-C4' energy: -87.605 flat angles P-C4'-P energy: -61.196 tors. eta vs tors. theta energy: -122.779 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: 3 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1433.925186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.925186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.925186 (E_RNA) where: Base-Base interactions energy: -1024.500 where: short stacking energy: -409.328 Base-Backbone interact. energy: 1.149 local terms energy: -410.573773 where: bonds (distance) C4'-P energy: -69.771 bonds (distance) P-C4' energy: -71.652 flat angles C4'-P-C4' energy: -90.013 flat angles P-C4'-P energy: -53.971 tors. eta vs tors. theta energy: -125.166 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: 1 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1376.625886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.625886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.625886 (E_RNA) where: Base-Base interactions energy: -987.170 where: short stacking energy: -395.087 Base-Backbone interact. energy: 0.071 local terms energy: -389.526211 where: bonds (distance) C4'-P energy: -70.874 bonds (distance) P-C4' energy: -76.409 flat angles C4'-P-C4' energy: -74.116 flat angles P-C4'-P energy: -51.858 tors. eta vs tors. theta energy: -116.270 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: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1323.679014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.679014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.679014 (E_RNA) where: Base-Base interactions energy: -973.155 where: short stacking energy: -368.895 Base-Backbone interact. energy: 1.816 local terms energy: -352.339224 where: bonds (distance) C4'-P energy: -42.937 bonds (distance) P-C4' energy: -62.676 flat angles C4'-P-C4' energy: -73.542 flat angles P-C4'-P energy: -58.824 tors. eta vs tors. theta energy: -114.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1262.477540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.477540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.477540 (E_RNA) where: Base-Base interactions energy: -914.185 where: short stacking energy: -364.328 Base-Backbone interact. energy: 0.039 local terms energy: -348.331231 where: bonds (distance) C4'-P energy: -59.820 bonds (distance) P-C4' energy: -66.012 flat angles C4'-P-C4' energy: -72.294 flat angles P-C4'-P energy: -41.822 tors. eta vs tors. theta energy: -108.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -1105.239973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.239973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.239973 (E_RNA) where: Base-Base interactions energy: -794.074 where: short stacking energy: -305.297 Base-Backbone interact. energy: -0.286 local terms energy: -310.880092 where: bonds (distance) C4'-P energy: -61.783 bonds (distance) P-C4' energy: -50.874 flat angles C4'-P-C4' energy: -61.477 flat angles P-C4'-P energy: -53.227 tors. eta vs tors. theta energy: -83.519 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: 5 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1709.405708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.405708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.405708 (E_RNA) where: Base-Base interactions energy: -1243.627 where: short stacking energy: -485.754 Base-Backbone interact. energy: -0.145 local terms energy: -465.633048 where: bonds (distance) C4'-P energy: -78.248 bonds (distance) P-C4' energy: -79.758 flat angles C4'-P-C4' energy: -92.015 flat angles P-C4'-P energy: -66.872 tors. eta vs tors. theta energy: -148.740 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: 9 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1590.098338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.098338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.098338 (E_RNA) where: Base-Base interactions energy: -1183.408 where: short stacking energy: -448.580 Base-Backbone interact. energy: -0.208 local terms energy: -406.482366 where: bonds (distance) C4'-P energy: -75.190 bonds (distance) P-C4' energy: -79.594 flat angles C4'-P-C4' energy: -82.151 flat angles P-C4'-P energy: -42.232 tors. eta vs tors. theta energy: -127.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1551.270655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.270655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.270655 (E_RNA) where: Base-Base interactions energy: -1127.015 where: short stacking energy: -433.259 Base-Backbone interact. energy: -2.860 local terms energy: -421.396017 where: bonds (distance) C4'-P energy: -70.114 bonds (distance) P-C4' energy: -74.422 flat angles C4'-P-C4' energy: -88.649 flat angles P-C4'-P energy: -62.868 tors. eta vs tors. theta energy: -125.343 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: 6 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1506.214251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.214251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.214251 (E_RNA) where: Base-Base interactions energy: -1086.597 where: short stacking energy: -429.715 Base-Backbone interact. energy: -2.486 local terms energy: -417.131381 where: bonds (distance) C4'-P energy: -73.763 bonds (distance) P-C4' energy: -70.019 flat angles C4'-P-C4' energy: -84.316 flat angles P-C4'-P energy: -61.969 tors. eta vs tors. theta energy: -127.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1494.116570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.116570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.116570 (E_RNA) where: Base-Base interactions energy: -1081.046 where: short stacking energy: -429.121 Base-Backbone interact. energy: -0.634 local terms energy: -412.436809 where: bonds (distance) C4'-P energy: -66.780 bonds (distance) P-C4' energy: -76.124 flat angles C4'-P-C4' energy: -77.466 flat angles P-C4'-P energy: -61.320 tors. eta vs tors. theta energy: -130.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1443.735597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.735597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.735597 (E_RNA) where: Base-Base interactions energy: -1037.322 where: short stacking energy: -421.382 Base-Backbone interact. energy: -0.441 local terms energy: -405.972455 where: bonds (distance) C4'-P energy: -67.370 bonds (distance) P-C4' energy: -80.484 flat angles C4'-P-C4' energy: -87.286 flat angles P-C4'-P energy: -49.826 tors. eta vs tors. theta energy: -121.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1369.732326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.732326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.732326 (E_RNA) where: Base-Base interactions energy: -996.079 where: short stacking energy: -380.206 Base-Backbone interact. energy: -1.821 local terms energy: -371.832306 where: bonds (distance) C4'-P energy: -52.113 bonds (distance) P-C4' energy: -64.523 flat angles C4'-P-C4' energy: -81.495 flat angles P-C4'-P energy: -60.077 tors. eta vs tors. theta energy: -113.624 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: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1255.143663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.143663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.143663 (E_RNA) where: Base-Base interactions energy: -902.264 where: short stacking energy: -342.050 Base-Backbone interact. energy: -0.664 local terms energy: -352.216116 where: bonds (distance) C4'-P energy: -63.300 bonds (distance) P-C4' energy: -68.289 flat angles C4'-P-C4' energy: -82.381 flat angles P-C4'-P energy: -43.875 tors. eta vs tors. theta energy: -94.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1232.543959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.543959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.543959 (E_RNA) where: Base-Base interactions energy: -880.894 where: short stacking energy: -337.344 Base-Backbone interact. energy: -0.411 local terms energy: -351.238322 where: bonds (distance) C4'-P energy: -63.429 bonds (distance) P-C4' energy: -65.913 flat angles C4'-P-C4' energy: -81.812 flat angles P-C4'-P energy: -41.690 tors. eta vs tors. theta energy: -98.395 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: 8 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -1104.400510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.400510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.400510 (E_RNA) where: Base-Base interactions energy: -778.712 where: short stacking energy: -304.169 Base-Backbone interact. energy: -1.599 local terms energy: -324.090007 where: bonds (distance) C4'-P energy: -55.507 bonds (distance) P-C4' energy: -66.728 flat angles C4'-P-C4' energy: -67.585 flat angles P-C4'-P energy: -46.971 tors. eta vs tors. theta energy: -87.300 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: 5 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1714.576422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.576422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.576422 (E_RNA) where: Base-Base interactions energy: -1242.994 where: short stacking energy: -472.269 Base-Backbone interact. energy: -0.215 local terms energy: -471.367937 where: bonds (distance) C4'-P energy: -76.065 bonds (distance) P-C4' energy: -78.723 flat angles C4'-P-C4' energy: -98.859 flat angles P-C4'-P energy: -68.214 tors. eta vs tors. theta energy: -149.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1569.022961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.022961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.022961 (E_RNA) where: Base-Base interactions energy: -1158.393 where: short stacking energy: -429.183 Base-Backbone interact. energy: -1.347 local terms energy: -409.283138 where: bonds (distance) C4'-P energy: -66.599 bonds (distance) P-C4' energy: -74.961 flat angles C4'-P-C4' energy: -84.346 flat angles P-C4'-P energy: -57.923 tors. eta vs tors. theta energy: -125.454 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: 2 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1541.317195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.317195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.317195 (E_RNA) where: Base-Base interactions energy: -1116.375 where: short stacking energy: -436.529 Base-Backbone interact. energy: -0.456 local terms energy: -424.485886 where: bonds (distance) C4'-P energy: -77.173 bonds (distance) P-C4' energy: -74.903 flat angles C4'-P-C4' energy: -86.524 flat angles P-C4'-P energy: -57.824 tors. eta vs tors. theta energy: -128.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1530.538618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.538618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.538618 (E_RNA) where: Base-Base interactions energy: -1102.852 where: short stacking energy: -422.415 Base-Backbone interact. energy: 1.571 local terms energy: -429.256950 where: bonds (distance) C4'-P energy: -75.253 bonds (distance) P-C4' energy: -78.108 flat angles C4'-P-C4' energy: -81.977 flat angles P-C4'-P energy: -61.023 tors. eta vs tors. theta energy: -132.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1497.781937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.781937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.781937 (E_RNA) where: Base-Base interactions energy: -1072.018 where: short stacking energy: -418.095 Base-Backbone interact. energy: -0.094 local terms energy: -425.670589 where: bonds (distance) C4'-P energy: -66.970 bonds (distance) P-C4' energy: -75.793 flat angles C4'-P-C4' energy: -87.644 flat angles P-C4'-P energy: -64.083 tors. eta vs tors. theta energy: -131.180 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: 3 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1423.919066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.919066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.919066 (E_RNA) where: Base-Base interactions energy: -1028.527 where: short stacking energy: -393.375 Base-Backbone interact. energy: 0.480 local terms energy: -395.872233 where: bonds (distance) C4'-P energy: -75.563 bonds (distance) P-C4' energy: -63.033 flat angles C4'-P-C4' energy: -82.511 flat angles P-C4'-P energy: -55.008 tors. eta vs tors. theta energy: -119.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1365.587055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.587055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.587055 (E_RNA) where: Base-Base interactions energy: -991.002 where: short stacking energy: -388.945 Base-Backbone interact. energy: -0.619 local terms energy: -373.966035 where: bonds (distance) C4'-P energy: -54.366 bonds (distance) P-C4' energy: -64.167 flat angles C4'-P-C4' energy: -80.091 flat angles P-C4'-P energy: -65.103 tors. eta vs tors. theta energy: -110.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1357.592130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.592130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.592130 (E_RNA) where: Base-Base interactions energy: -985.163 where: short stacking energy: -383.827 Base-Backbone interact. energy: 1.290 local terms energy: -373.719016 where: bonds (distance) C4'-P energy: -59.602 bonds (distance) P-C4' energy: -63.348 flat angles C4'-P-C4' energy: -82.116 flat angles P-C4'-P energy: -58.042 tors. eta vs tors. theta energy: -110.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1261.560632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.560632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.560632 (E_RNA) where: Base-Base interactions energy: -906.670 where: short stacking energy: -358.326 Base-Backbone interact. energy: 1.865 local terms energy: -356.755552 where: bonds (distance) C4'-P energy: -54.951 bonds (distance) P-C4' energy: -58.298 flat angles C4'-P-C4' energy: -80.665 flat angles P-C4'-P energy: -55.831 tors. eta vs tors. theta energy: -107.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1055.037775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.037775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.037775 (E_RNA) where: Base-Base interactions energy: -762.722 where: short stacking energy: -291.931 Base-Backbone interact. energy: 3.478 local terms energy: -295.794403 where: bonds (distance) C4'-P energy: -54.001 bonds (distance) P-C4' energy: -70.493 flat angles C4'-P-C4' energy: -57.431 flat angles P-C4'-P energy: -43.303 tors. eta vs tors. theta energy: -70.567 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: 321 Temperature: 0.900000 Total energy: -1707.215597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.215597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.215597 (E_RNA) where: Base-Base interactions energy: -1242.742 where: short stacking energy: -497.929 Base-Backbone interact. energy: -0.101 local terms energy: -464.373120 where: bonds (distance) C4'-P energy: -80.141 bonds (distance) P-C4' energy: -70.058 flat angles C4'-P-C4' energy: -95.383 flat angles P-C4'-P energy: -69.213 tors. eta vs tors. theta energy: -149.579 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: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1561.293947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.293947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.293947 (E_RNA) where: Base-Base interactions energy: -1143.899 where: short stacking energy: -439.991 Base-Backbone interact. energy: 1.723 local terms energy: -419.118408 where: bonds (distance) C4'-P energy: -64.752 bonds (distance) P-C4' energy: -67.265 flat angles C4'-P-C4' energy: -91.562 flat angles P-C4'-P energy: -61.820 tors. eta vs tors. theta energy: -133.719 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: 3, replica: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1532.830609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.830609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.830609 (E_RNA) where: Base-Base interactions energy: -1144.993 where: short stacking energy: -433.025 Base-Backbone interact. energy: -0.142 local terms energy: -387.695989 where: bonds (distance) C4'-P energy: -68.045 bonds (distance) P-C4' energy: -71.989 flat angles C4'-P-C4' energy: -82.637 flat angles P-C4'-P energy: -47.925 tors. eta vs tors. theta energy: -117.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1541.513326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.513326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.513326 (E_RNA) where: Base-Base interactions energy: -1115.888 where: short stacking energy: -432.467 Base-Backbone interact. energy: 0.872 local terms energy: -426.496851 where: bonds (distance) C4'-P energy: -76.243 bonds (distance) P-C4' energy: -71.210 flat angles C4'-P-C4' energy: -84.815 flat angles P-C4'-P energy: -66.796 tors. eta vs tors. theta energy: -127.433 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: 10 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1478.897618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.897618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.897618 (E_RNA) where: Base-Base interactions energy: -1070.124 where: short stacking energy: -417.479 Base-Backbone interact. energy: -0.616 local terms energy: -408.157968 where: bonds (distance) C4'-P energy: -80.782 bonds (distance) P-C4' energy: -59.102 flat angles C4'-P-C4' energy: -86.810 flat angles P-C4'-P energy: -60.428 tors. eta vs tors. theta energy: -121.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1415.827725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.827725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.827725 (E_RNA) where: Base-Base interactions energy: -1022.702 where: short stacking energy: -408.828 Base-Backbone interact. energy: 0.141 local terms energy: -393.266485 where: bonds (distance) C4'-P energy: -69.369 bonds (distance) P-C4' energy: -60.942 flat angles C4'-P-C4' energy: -84.081 flat angles P-C4'-P energy: -54.531 tors. eta vs tors. theta energy: -124.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1352.160961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.160961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.160961 (E_RNA) where: Base-Base interactions energy: -965.093 where: short stacking energy: -377.938 Base-Backbone interact. energy: -1.070 local terms energy: -385.998206 where: bonds (distance) C4'-P energy: -70.967 bonds (distance) P-C4' energy: -67.692 flat angles C4'-P-C4' energy: -84.264 flat angles P-C4'-P energy: -51.530 tors. eta vs tors. theta energy: -111.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1247.118458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.118458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.118458 (E_RNA) where: Base-Base interactions energy: -898.995 where: short stacking energy: -350.376 Base-Backbone interact. energy: -0.823 local terms energy: -347.300281 where: bonds (distance) C4'-P energy: -58.668 bonds (distance) P-C4' energy: -70.675 flat angles C4'-P-C4' energy: -74.864 flat angles P-C4'-P energy: -46.101 tors. eta vs tors. theta energy: -96.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1310.633802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.633802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.633802 (E_RNA) where: Base-Base interactions energy: -955.521 where: short stacking energy: -377.707 Base-Backbone interact. energy: 3.735 local terms energy: -358.847744 where: bonds (distance) C4'-P energy: -61.029 bonds (distance) P-C4' energy: -72.603 flat angles C4'-P-C4' energy: -64.999 flat angles P-C4'-P energy: -47.824 tors. eta vs tors. theta energy: -112.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1066.447365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.447365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.447365 (E_RNA) where: Base-Base interactions energy: -741.368 where: short stacking energy: -295.091 Base-Backbone interact. energy: 1.839 local terms energy: -326.918608 where: bonds (distance) C4'-P energy: -67.577 bonds (distance) P-C4' energy: -65.493 flat angles C4'-P-C4' energy: -76.276 flat angles P-C4'-P energy: -34.576 tors. eta vs tors. theta energy: -82.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1711.572647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.572647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.572647 (E_RNA) where: Base-Base interactions energy: -1255.403 where: short stacking energy: -499.461 Base-Backbone interact. energy: -0.011 local terms energy: -456.158819 where: bonds (distance) C4'-P energy: -69.469 bonds (distance) P-C4' energy: -76.649 flat angles C4'-P-C4' energy: -90.203 flat angles P-C4'-P energy: -69.518 tors. eta vs tors. theta energy: -150.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1561.332063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.332063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.332063 (E_RNA) where: Base-Base interactions energy: -1128.330 where: short stacking energy: -434.211 Base-Backbone interact. energy: 1.185 local terms energy: -434.187868 where: bonds (distance) C4'-P energy: -70.536 bonds (distance) P-C4' energy: -85.878 flat angles C4'-P-C4' energy: -89.354 flat angles P-C4'-P energy: -61.115 tors. eta vs tors. theta energy: -127.305 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: 322 Temperature: 1.000000 Total energy: -1548.157278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.157278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.157278 (E_RNA) where: Base-Base interactions energy: -1121.316 where: short stacking energy: -446.494 Base-Backbone interact. energy: -1.714 local terms energy: -425.127510 where: bonds (distance) C4'-P energy: -70.639 bonds (distance) P-C4' energy: -71.025 flat angles C4'-P-C4' energy: -85.391 flat angles P-C4'-P energy: -64.198 tors. eta vs tors. theta energy: -133.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1522.540249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.540249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.540249 (E_RNA) where: Base-Base interactions energy: -1135.498 where: short stacking energy: -432.458 Base-Backbone interact. energy: -0.677 local terms energy: -386.364787 where: bonds (distance) C4'-P energy: -69.108 bonds (distance) P-C4' energy: -62.491 flat angles C4'-P-C4' energy: -78.808 flat angles P-C4'-P energy: -57.887 tors. eta vs tors. theta energy: -118.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1473.047670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.047670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.047670 (E_RNA) where: Base-Base interactions energy: -1069.567 where: short stacking energy: -437.564 Base-Backbone interact. energy: -1.395 local terms energy: -402.085676 where: bonds (distance) C4'-P energy: -78.162 bonds (distance) P-C4' energy: -69.002 flat angles C4'-P-C4' energy: -74.893 flat angles P-C4'-P energy: -52.077 tors. eta vs tors. theta energy: -127.950 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: 3 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1412.585081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.585081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.585081 (E_RNA) where: Base-Base interactions energy: -1024.180 where: short stacking energy: -407.970 Base-Backbone interact. energy: -0.211 local terms energy: -388.193256 where: bonds (distance) C4'-P energy: -61.978 bonds (distance) P-C4' energy: -69.965 flat angles C4'-P-C4' energy: -73.066 flat angles P-C4'-P energy: -61.166 tors. eta vs tors. theta energy: -122.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1367.966161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.966161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.966161 (E_RNA) where: Base-Base interactions energy: -991.644 where: short stacking energy: -377.432 Base-Backbone interact. energy: -0.272 local terms energy: -376.050356 where: bonds (distance) C4'-P energy: -67.053 bonds (distance) P-C4' energy: -58.995 flat angles C4'-P-C4' energy: -81.454 flat angles P-C4'-P energy: -52.750 tors. eta vs tors. theta energy: -115.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1296.331548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.331548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.331548 (E_RNA) where: Base-Base interactions energy: -933.033 where: short stacking energy: -367.560 Base-Backbone interact. energy: -1.701 local terms energy: -361.597083 where: bonds (distance) C4'-P energy: -68.398 bonds (distance) P-C4' energy: -64.013 flat angles C4'-P-C4' energy: -78.436 flat angles P-C4'-P energy: -44.664 tors. eta vs tors. theta energy: -106.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1298.699451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.699451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.699451 (E_RNA) where: Base-Base interactions energy: -929.282 where: short stacking energy: -371.269 Base-Backbone interact. energy: -1.440 local terms energy: -367.977424 where: bonds (distance) C4'-P energy: -68.610 bonds (distance) P-C4' energy: -63.543 flat angles C4'-P-C4' energy: -79.803 flat angles P-C4'-P energy: -54.989 tors. eta vs tors. theta energy: -101.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1084.806350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.806350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.806350 (E_RNA) where: Base-Base interactions energy: -784.716 where: short stacking energy: -314.279 Base-Backbone interact. energy: -1.577 local terms energy: -298.513773 where: bonds (distance) C4'-P energy: -47.749 bonds (distance) P-C4' energy: -48.941 flat angles C4'-P-C4' energy: -71.710 flat angles P-C4'-P energy: -38.224 tors. eta vs tors. theta energy: -91.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1723.426365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.426365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.426365 (E_RNA) where: Base-Base interactions energy: -1256.585 where: short stacking energy: -489.995 Base-Backbone interact. energy: -0.053 local terms energy: -466.788571 where: bonds (distance) C4'-P energy: -78.502 bonds (distance) P-C4' energy: -76.173 flat angles C4'-P-C4' energy: -89.704 flat angles P-C4'-P energy: -72.596 tors. eta vs tors. theta energy: -149.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1567.087161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.087161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.087161 (E_RNA) where: Base-Base interactions energy: -1133.234 where: short stacking energy: -450.622 Base-Backbone interact. energy: -1.523 local terms energy: -432.329915 where: bonds (distance) C4'-P energy: -78.328 bonds (distance) P-C4' energy: -81.116 flat angles C4'-P-C4' energy: -87.747 flat angles P-C4'-P energy: -58.114 tors. eta vs tors. theta energy: -127.025 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: 3, replica: 6 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1540.035032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.035032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.035032 (E_RNA) where: Base-Base interactions energy: -1124.202 where: short stacking energy: -426.225 Base-Backbone interact. energy: 4.999 local terms energy: -420.832104 where: bonds (distance) C4'-P energy: -70.051 bonds (distance) P-C4' energy: -66.255 flat angles C4'-P-C4' energy: -90.706 flat angles P-C4'-P energy: -64.987 tors. eta vs tors. theta energy: -128.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1514.866395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.866395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.866395 (E_RNA) where: Base-Base interactions energy: -1100.852 where: short stacking energy: -405.169 Base-Backbone interact. energy: -1.139 local terms energy: -412.875185 where: bonds (distance) C4'-P energy: -78.488 bonds (distance) P-C4' energy: -71.198 flat angles C4'-P-C4' energy: -81.793 flat angles P-C4'-P energy: -58.533 tors. eta vs tors. theta energy: -122.865 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: 323 Temperature: 1.100000 Total energy: -1476.318277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.318277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.318277 (E_RNA) where: Base-Base interactions energy: -1063.608 where: short stacking energy: -421.877 Base-Backbone interact. energy: 1.004 local terms energy: -413.713934 where: bonds (distance) C4'-P energy: -66.307 bonds (distance) P-C4' energy: -67.348 flat angles C4'-P-C4' energy: -90.436 flat angles P-C4'-P energy: -66.880 tors. eta vs tors. theta energy: -122.744 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: 3 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1409.498722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.498722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.498722 (E_RNA) where: Base-Base interactions energy: -1045.783 where: short stacking energy: -409.544 Base-Backbone interact. energy: -0.369 local terms energy: -363.346042 where: bonds (distance) C4'-P energy: -57.442 bonds (distance) P-C4' energy: -59.588 flat angles C4'-P-C4' energy: -77.541 flat angles P-C4'-P energy: -55.278 tors. eta vs tors. theta energy: -113.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1345.703542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.703542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.703542 (E_RNA) where: Base-Base interactions energy: -974.495 where: short stacking energy: -380.410 Base-Backbone interact. energy: -0.187 local terms energy: -371.021593 where: bonds (distance) C4'-P energy: -58.533 bonds (distance) P-C4' energy: -74.765 flat angles C4'-P-C4' energy: -66.003 flat angles P-C4'-P energy: -54.087 tors. eta vs tors. theta energy: -117.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1280.979911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.979911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.979911 (E_RNA) where: Base-Base interactions energy: -911.997 where: short stacking energy: -356.953 Base-Backbone interact. energy: -1.149 local terms energy: -367.833290 where: bonds (distance) C4'-P energy: -62.035 bonds (distance) P-C4' energy: -71.092 flat angles C4'-P-C4' energy: -83.191 flat angles P-C4'-P energy: -45.434 tors. eta vs tors. theta energy: -106.081 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: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1292.274680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.274680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.274680 (E_RNA) where: Base-Base interactions energy: -932.930 where: short stacking energy: -372.768 Base-Backbone interact. energy: -0.600 local terms energy: -358.744177 where: bonds (distance) C4'-P energy: -59.476 bonds (distance) P-C4' energy: -66.193 flat angles C4'-P-C4' energy: -78.329 flat angles P-C4'-P energy: -49.615 tors. eta vs tors. theta energy: -105.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1092.293310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.293310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.293310 (E_RNA) where: Base-Base interactions energy: -767.178 where: short stacking energy: -318.106 Base-Backbone interact. energy: -0.924 local terms energy: -324.190851 where: bonds (distance) C4'-P energy: -66.304 bonds (distance) P-C4' energy: -55.499 flat angles C4'-P-C4' energy: -74.466 flat angles P-C4'-P energy: -37.766 tors. eta vs tors. theta energy: -90.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1714.236053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.236053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.236053 (E_RNA) where: Base-Base interactions energy: -1236.795 where: short stacking energy: -486.513 Base-Backbone interact. energy: -0.164 local terms energy: -477.277315 where: bonds (distance) C4'-P energy: -87.591 bonds (distance) P-C4' energy: -72.784 flat angles C4'-P-C4' energy: -95.299 flat angles P-C4'-P energy: -70.997 tors. eta vs tors. theta energy: -150.606 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: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1575.923126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.923126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.923126 (E_RNA) where: Base-Base interactions energy: -1149.113 where: short stacking energy: -450.099 Base-Backbone interact. energy: -2.916 local terms energy: -423.894454 where: bonds (distance) C4'-P energy: -70.209 bonds (distance) P-C4' energy: -77.199 flat angles C4'-P-C4' energy: -90.140 flat angles P-C4'-P energy: -60.970 tors. eta vs tors. theta energy: -125.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1551.001959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.001959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.001959 (E_RNA) where: Base-Base interactions energy: -1125.957 where: short stacking energy: -446.058 Base-Backbone interact. energy: -1.045 local terms energy: -423.999826 where: bonds (distance) C4'-P energy: -71.644 bonds (distance) P-C4' energy: -79.360 flat angles C4'-P-C4' energy: -79.686 flat angles P-C4'-P energy: -61.757 tors. eta vs tors. theta energy: -131.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1508.448486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.448486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.448486 (E_RNA) where: Base-Base interactions energy: -1105.904 where: short stacking energy: -415.498 Base-Backbone interact. energy: -2.186 local terms energy: -400.359245 where: bonds (distance) C4'-P energy: -59.320 bonds (distance) P-C4' energy: -66.533 flat angles C4'-P-C4' energy: -86.925 flat angles P-C4'-P energy: -58.539 tors. eta vs tors. theta energy: -129.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1494.965218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.965218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.965218 (E_RNA) where: Base-Base interactions energy: -1086.327 where: short stacking energy: -433.309 Base-Backbone interact. energy: -0.772 local terms energy: -407.866152 where: bonds (distance) C4'-P energy: -74.230 bonds (distance) P-C4' energy: -74.103 flat angles C4'-P-C4' energy: -80.560 flat angles P-C4'-P energy: -52.924 tors. eta vs tors. theta energy: -126.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1383.213922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.213922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.213922 (E_RNA) where: Base-Base interactions energy: -1000.231 where: short stacking energy: -387.316 Base-Backbone interact. energy: -0.390 local terms energy: -382.593540 where: bonds (distance) C4'-P energy: -78.091 bonds (distance) P-C4' energy: -58.717 flat angles C4'-P-C4' energy: -86.058 flat angles P-C4'-P energy: -50.580 tors. eta vs tors. theta energy: -109.148 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: 324 Temperature: 1.200000 Total energy: -1362.293363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.293363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.293363 (E_RNA) where: Base-Base interactions energy: -983.635 where: short stacking energy: -383.038 Base-Backbone interact. energy: -0.720 local terms energy: -377.937625 where: bonds (distance) C4'-P energy: -67.758 bonds (distance) P-C4' energy: -70.048 flat angles C4'-P-C4' energy: -78.264 flat angles P-C4'-P energy: -50.017 tors. eta vs tors. theta energy: -111.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1276.594139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.594139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.594139 (E_RNA) where: Base-Base interactions energy: -910.701 where: short stacking energy: -352.905 Base-Backbone interact. energy: -0.243 local terms energy: -365.649483 where: bonds (distance) C4'-P energy: -64.170 bonds (distance) P-C4' energy: -70.608 flat angles C4'-P-C4' energy: -82.083 flat angles P-C4'-P energy: -47.132 tors. eta vs tors. theta energy: -101.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1277.472076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.472076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.472076 (E_RNA) where: Base-Base interactions energy: -924.052 where: short stacking energy: -355.282 Base-Backbone interact. energy: -0.709 local terms energy: -352.710742 where: bonds (distance) C4'-P energy: -63.085 bonds (distance) P-C4' energy: -72.100 flat angles C4'-P-C4' energy: -69.399 flat angles P-C4'-P energy: -45.628 tors. eta vs tors. theta energy: -102.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1135.024693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.024693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.024693 (E_RNA) where: Base-Base interactions energy: -796.874 where: short stacking energy: -316.248 Base-Backbone interact. energy: -0.911 local terms energy: -337.239365 where: bonds (distance) C4'-P energy: -59.971 bonds (distance) P-C4' energy: -57.599 flat angles C4'-P-C4' energy: -70.434 flat angles P-C4'-P energy: -61.422 tors. eta vs tors. theta energy: -87.813 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: 5 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1709.588531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.588531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.588531 (E_RNA) where: Base-Base interactions energy: -1258.320 where: short stacking energy: -492.382 Base-Backbone interact. energy: -0.189 local terms energy: -451.079283 where: bonds (distance) C4'-P energy: -69.497 bonds (distance) P-C4' energy: -73.583 flat angles C4'-P-C4' energy: -94.386 flat angles P-C4'-P energy: -66.386 tors. eta vs tors. theta energy: -147.227 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: 6 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1573.654452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.654452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.654452 (E_RNA) where: Base-Base interactions energy: -1141.958 where: short stacking energy: -447.147 Base-Backbone interact. energy: -0.988 local terms energy: -430.708810 where: bonds (distance) C4'-P energy: -71.631 bonds (distance) P-C4' energy: -78.015 flat angles C4'-P-C4' energy: -92.018 flat angles P-C4'-P energy: -51.163 tors. eta vs tors. theta energy: -137.881 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: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1557.422703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.422703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.422703 (E_RNA) where: Base-Base interactions energy: -1138.265 where: short stacking energy: -437.556 Base-Backbone interact. energy: -0.175 local terms energy: -418.982875 where: bonds (distance) C4'-P energy: -73.169 bonds (distance) P-C4' energy: -71.612 flat angles C4'-P-C4' energy: -88.990 flat angles P-C4'-P energy: -61.915 tors. eta vs tors. theta energy: -123.296 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: 9 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1514.981782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.981782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.981782 (E_RNA) where: Base-Base interactions energy: -1104.550 where: short stacking energy: -406.634 Base-Backbone interact. energy: -2.222 local terms energy: -408.210290 where: bonds (distance) C4'-P energy: -65.791 bonds (distance) P-C4' energy: -75.346 flat angles C4'-P-C4' energy: -80.693 flat angles P-C4'-P energy: -63.548 tors. eta vs tors. theta energy: -122.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1469.161140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.161140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.161140 (E_RNA) where: Base-Base interactions energy: -1058.699 where: short stacking energy: -416.827 Base-Backbone interact. energy: -0.379 local terms energy: -410.083716 where: bonds (distance) C4'-P energy: -70.084 bonds (distance) P-C4' energy: -73.821 flat angles C4'-P-C4' energy: -82.166 flat angles P-C4'-P energy: -55.690 tors. eta vs tors. theta energy: -128.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1399.363573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.363573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.363573 (E_RNA) where: Base-Base interactions energy: -1006.376 where: short stacking energy: -404.491 Base-Backbone interact. energy: -1.079 local terms energy: -391.908343 where: bonds (distance) C4'-P energy: -63.641 bonds (distance) P-C4' energy: -59.336 flat angles C4'-P-C4' energy: -80.767 flat angles P-C4'-P energy: -62.767 tors. eta vs tors. theta energy: -125.397 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: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1355.969759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.969759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.969759 (E_RNA) where: Base-Base interactions energy: -962.368 where: short stacking energy: -365.861 Base-Backbone interact. energy: 1.355 local terms energy: -394.956534 where: bonds (distance) C4'-P energy: -66.060 bonds (distance) P-C4' energy: -79.695 flat angles C4'-P-C4' energy: -79.225 flat angles P-C4'-P energy: -50.591 tors. eta vs tors. theta energy: -119.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1273.230941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.230941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.230941 (E_RNA) where: Base-Base interactions energy: -927.240 where: short stacking energy: -357.767 Base-Backbone interact. energy: 0.760 local terms energy: -346.751114 where: bonds (distance) C4'-P energy: -63.531 bonds (distance) P-C4' energy: -63.661 flat angles C4'-P-C4' energy: -74.401 flat angles P-C4'-P energy: -38.218 tors. eta vs tors. theta energy: -106.940 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: 9, replica: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1273.949701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.949701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.949701 (E_RNA) where: Base-Base interactions energy: -906.302 where: short stacking energy: -358.495 Base-Backbone interact. energy: -0.930 local terms energy: -366.717662 where: bonds (distance) C4'-P energy: -71.320 bonds (distance) P-C4' energy: -66.175 flat angles C4'-P-C4' energy: -76.693 flat angles P-C4'-P energy: -53.040 tors. eta vs tors. theta energy: -99.490 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: 10, replica: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -1117.626353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.626353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.626353 (E_RNA) where: Base-Base interactions energy: -794.650 where: short stacking energy: -317.131 Base-Backbone interact. energy: 0.045 local terms energy: -323.021587 where: bonds (distance) C4'-P energy: -58.862 bonds (distance) P-C4' energy: -58.497 flat angles C4'-P-C4' energy: -77.039 flat angles P-C4'-P energy: -43.285 tors. eta vs tors. theta energy: -85.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1705.944212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.944212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.944212 (E_RNA) where: Base-Base interactions energy: -1246.884 where: short stacking energy: -490.406 Base-Backbone interact. energy: -0.161 local terms energy: -458.899028 where: bonds (distance) C4'-P energy: -76.027 bonds (distance) P-C4' energy: -76.948 flat angles C4'-P-C4' energy: -94.265 flat angles P-C4'-P energy: -66.543 tors. eta vs tors. theta energy: -145.117 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: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1576.856505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.856505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.856505 (E_RNA) where: Base-Base interactions energy: -1126.207 where: short stacking energy: -442.719 Base-Backbone interact. energy: -0.424 local terms energy: -450.225554 where: bonds (distance) C4'-P energy: -78.940 bonds (distance) P-C4' energy: -71.359 flat angles C4'-P-C4' energy: -93.519 flat angles P-C4'-P energy: -74.015 tors. eta vs tors. theta energy: -132.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1543.901927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.901927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.901927 (E_RNA) where: Base-Base interactions energy: -1133.076 where: short stacking energy: -431.555 Base-Backbone interact. energy: -0.968 local terms energy: -409.857795 where: bonds (distance) C4'-P energy: -69.888 bonds (distance) P-C4' energy: -70.219 flat angles C4'-P-C4' energy: -86.335 flat angles P-C4'-P energy: -64.867 tors. eta vs tors. theta energy: -118.548 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: 4, replica: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1515.283131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.283131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.283131 (E_RNA) where: Base-Base interactions energy: -1103.595 where: short stacking energy: -414.731 Base-Backbone interact. energy: -0.666 local terms energy: -411.022162 where: bonds (distance) C4'-P energy: -73.639 bonds (distance) P-C4' energy: -74.843 flat angles C4'-P-C4' energy: -83.612 flat angles P-C4'-P energy: -57.199 tors. eta vs tors. theta energy: -121.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1469.377938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.377938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.377938 (E_RNA) where: Base-Base interactions energy: -1047.719 where: short stacking energy: -409.325 Base-Backbone interact. energy: -0.864 local terms energy: -420.795336 where: bonds (distance) C4'-P energy: -78.068 bonds (distance) P-C4' energy: -69.992 flat angles C4'-P-C4' energy: -78.442 flat angles P-C4'-P energy: -66.427 tors. eta vs tors. theta energy: -127.867 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: 3 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1416.497494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.497494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.497494 (E_RNA) where: Base-Base interactions energy: -1027.638 where: short stacking energy: -398.997 Base-Backbone interact. energy: -0.322 local terms energy: -388.538256 where: bonds (distance) C4'-P energy: -67.471 bonds (distance) P-C4' energy: -72.151 flat angles C4'-P-C4' energy: -76.619 flat angles P-C4'-P energy: -52.730 tors. eta vs tors. theta energy: -119.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1304.915117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.915117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.915117 (E_RNA) where: Base-Base interactions energy: -923.296 where: short stacking energy: -358.120 Base-Backbone interact. energy: -0.512 local terms energy: -381.107631 where: bonds (distance) C4'-P energy: -66.513 bonds (distance) P-C4' energy: -63.134 flat angles C4'-P-C4' energy: -82.732 flat angles P-C4'-P energy: -58.161 tors. eta vs tors. theta energy: -110.568 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: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1317.746220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.746220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.746220 (E_RNA) where: Base-Base interactions energy: -941.159 where: short stacking energy: -364.656 Base-Backbone interact. energy: 0.237 local terms energy: -376.824356 where: bonds (distance) C4'-P energy: -68.089 bonds (distance) P-C4' energy: -74.830 flat angles C4'-P-C4' energy: -82.472 flat angles P-C4'-P energy: -46.463 tors. eta vs tors. theta energy: -104.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1278.926249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.926249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.926249 (E_RNA) where: Base-Base interactions energy: -937.220 where: short stacking energy: -366.700 Base-Backbone interact. energy: -0.732 local terms energy: -340.973747 where: bonds (distance) C4'-P energy: -58.835 bonds (distance) P-C4' energy: -62.565 flat angles C4'-P-C4' energy: -67.348 flat angles P-C4'-P energy: -49.291 tors. eta vs tors. theta energy: -102.935 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: 8 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1137.574530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.574530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.574530 (E_RNA) where: Base-Base interactions energy: -841.454 where: short stacking energy: -323.857 Base-Backbone interact. energy: 0.358 local terms energy: -296.478799 where: bonds (distance) C4'-P energy: -47.243 bonds (distance) P-C4' energy: -51.446 flat angles C4'-P-C4' energy: -65.116 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: -91.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1712.963676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.963676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.963676 (E_RNA) where: Base-Base interactions energy: -1268.978 where: short stacking energy: -498.405 Base-Backbone interact. energy: -0.887 local terms energy: -443.097925 where: bonds (distance) C4'-P energy: -73.176 bonds (distance) P-C4' energy: -72.074 flat angles C4'-P-C4' energy: -87.112 flat angles P-C4'-P energy: -62.701 tors. eta vs tors. theta energy: -148.035 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: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1578.169520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.169520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.169520 (E_RNA) where: Base-Base interactions energy: -1152.780 where: short stacking energy: -432.308 Base-Backbone interact. energy: -0.400 local terms energy: -424.989749 where: bonds (distance) C4'-P energy: -69.714 bonds (distance) P-C4' energy: -79.630 flat angles C4'-P-C4' energy: -86.973 flat angles P-C4'-P energy: -64.723 tors. eta vs tors. theta energy: -123.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1563.725984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.725984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.725984 (E_RNA) where: Base-Base interactions energy: -1156.058 where: short stacking energy: -448.607 Base-Backbone interact. energy: 2.419 local terms energy: -410.086311 where: bonds (distance) C4'-P energy: -62.775 bonds (distance) P-C4' energy: -76.930 flat angles C4'-P-C4' energy: -94.610 flat angles P-C4'-P energy: -49.391 tors. eta vs tors. theta energy: -126.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1516.859759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.859759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.859759 (E_RNA) where: Base-Base interactions energy: -1119.416 where: short stacking energy: -433.306 Base-Backbone interact. energy: 0.160 local terms energy: -397.604269 where: bonds (distance) C4'-P energy: -61.956 bonds (distance) P-C4' energy: -70.252 flat angles C4'-P-C4' energy: -88.466 flat angles P-C4'-P energy: -53.369 tors. eta vs tors. theta energy: -123.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1469.196847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.196847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.196847 (E_RNA) where: Base-Base interactions energy: -1065.572 where: short stacking energy: -414.718 Base-Backbone interact. energy: -0.696 local terms energy: -402.929241 where: bonds (distance) C4'-P energy: -65.887 bonds (distance) P-C4' energy: -56.936 flat angles C4'-P-C4' energy: -92.597 flat angles P-C4'-P energy: -67.377 tors. eta vs tors. theta energy: -120.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1330.145152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.145152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.145152 (E_RNA) where: Base-Base interactions energy: -962.094 where: short stacking energy: -370.674 Base-Backbone interact. energy: -0.527 local terms energy: -367.524003 where: bonds (distance) C4'-P energy: -78.613 bonds (distance) P-C4' energy: -61.847 flat angles C4'-P-C4' energy: -70.894 flat angles P-C4'-P energy: -48.795 tors. eta vs tors. theta energy: -107.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1401.213886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.213886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.213886 (E_RNA) where: Base-Base interactions energy: -1018.026 where: short stacking energy: -388.172 Base-Backbone interact. energy: -0.744 local terms energy: -382.444435 where: bonds (distance) C4'-P energy: -66.399 bonds (distance) P-C4' energy: -54.593 flat angles C4'-P-C4' energy: -87.619 flat angles P-C4'-P energy: -64.488 tors. eta vs tors. theta energy: -109.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1275.771954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.771954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.771954 (E_RNA) where: Base-Base interactions energy: -946.461 where: short stacking energy: -372.629 Base-Backbone interact. energy: 1.328 local terms energy: -330.639035 where: bonds (distance) C4'-P energy: -54.345 bonds (distance) P-C4' energy: -52.164 flat angles C4'-P-C4' energy: -79.589 flat angles P-C4'-P energy: -43.856 tors. eta vs tors. theta energy: -100.685 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: 4 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1294.320676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.320676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.320676 (E_RNA) where: Base-Base interactions energy: -942.292 where: short stacking energy: -353.275 Base-Backbone interact. energy: -0.780 local terms energy: -351.248686 where: bonds (distance) C4'-P energy: -60.055 bonds (distance) P-C4' energy: -69.169 flat angles C4'-P-C4' energy: -76.557 flat angles P-C4'-P energy: -40.542 tors. eta vs tors. theta energy: -104.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1109.138990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.138990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.138990 (E_RNA) where: Base-Base interactions energy: -803.628 where: short stacking energy: -315.409 Base-Backbone interact. energy: 0.924 local terms energy: -306.435459 where: bonds (distance) C4'-P energy: -51.023 bonds (distance) P-C4' energy: -51.908 flat angles C4'-P-C4' energy: -74.076 flat angles P-C4'-P energy: -40.808 tors. eta vs tors. theta energy: -88.620 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: 5 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1700.918100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.918100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.918100 (E_RNA) where: Base-Base interactions energy: -1245.574 where: short stacking energy: -489.045 Base-Backbone interact. energy: -1.031 local terms energy: -454.313035 where: bonds (distance) C4'-P energy: -77.047 bonds (distance) P-C4' energy: -74.380 flat angles C4'-P-C4' energy: -93.039 flat angles P-C4'-P energy: -66.081 tors. eta vs tors. theta energy: -143.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1569.152372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.152372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.152372 (E_RNA) where: Base-Base interactions energy: -1155.096 where: short stacking energy: -435.239 Base-Backbone interact. energy: -1.337 local terms energy: -412.719175 where: bonds (distance) C4'-P energy: -66.765 bonds (distance) P-C4' energy: -72.288 flat angles C4'-P-C4' energy: -90.073 flat angles P-C4'-P energy: -60.727 tors. eta vs tors. theta energy: -122.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1582.556882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.556882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.556882 (E_RNA) where: Base-Base interactions energy: -1151.967 where: short stacking energy: -451.547 Base-Backbone interact. energy: -2.052 local terms energy: -428.538097 where: bonds (distance) C4'-P energy: -76.432 bonds (distance) P-C4' energy: -71.025 flat angles C4'-P-C4' energy: -83.144 flat angles P-C4'-P energy: -60.032 tors. eta vs tors. theta energy: -137.905 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: 4, replica: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1515.602028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.602028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.602028 (E_RNA) where: Base-Base interactions energy: -1097.304 where: short stacking energy: -429.966 Base-Backbone interact. energy: -0.146 local terms energy: -418.151336 where: bonds (distance) C4'-P energy: -71.845 bonds (distance) P-C4' energy: -69.528 flat angles C4'-P-C4' energy: -91.401 flat angles P-C4'-P energy: -61.270 tors. eta vs tors. theta energy: -124.108 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: 10 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1474.260110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.260110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.260110 (E_RNA) where: Base-Base interactions energy: -1065.982 where: short stacking energy: -408.971 Base-Backbone interact. energy: 0.879 local terms energy: -409.156942 where: bonds (distance) C4'-P energy: -72.709 bonds (distance) P-C4' energy: -68.786 flat angles C4'-P-C4' energy: -82.335 flat angles P-C4'-P energy: -57.986 tors. eta vs tors. theta energy: -127.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1336.223940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.223940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.223940 (E_RNA) where: Base-Base interactions energy: -936.818 where: short stacking energy: -370.720 Base-Backbone interact. energy: -0.986 local terms energy: -398.420448 where: bonds (distance) C4'-P energy: -79.489 bonds (distance) P-C4' energy: -72.002 flat angles C4'-P-C4' energy: -88.421 flat angles P-C4'-P energy: -49.187 tors. eta vs tors. theta energy: -109.321 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: 7, replica: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1373.491057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.491057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.491057 (E_RNA) where: Base-Base interactions energy: -992.116 where: short stacking energy: -384.766 Base-Backbone interact. energy: -0.455 local terms energy: -380.920048 where: bonds (distance) C4'-P energy: -63.790 bonds (distance) P-C4' energy: -68.331 flat angles C4'-P-C4' energy: -77.521 flat angles P-C4'-P energy: -60.676 tors. eta vs tors. theta energy: -110.602 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: 328 Temperature: 1.250000 Total energy: -1286.476892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.476892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.476892 (E_RNA) where: Base-Base interactions energy: -928.479 where: short stacking energy: -359.187 Base-Backbone interact. energy: 2.281 local terms energy: -360.278965 where: bonds (distance) C4'-P energy: -66.560 bonds (distance) P-C4' energy: -61.043 flat angles C4'-P-C4' energy: -75.967 flat angles P-C4'-P energy: -57.440 tors. eta vs tors. theta energy: -99.269 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: 9, replica: 4 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1311.310941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.310941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.310941 (E_RNA) where: Base-Base interactions energy: -961.434 where: short stacking energy: -358.375 Base-Backbone interact. energy: -1.728 local terms energy: -348.148366 where: bonds (distance) C4'-P energy: -64.144 bonds (distance) P-C4' energy: -63.058 flat angles C4'-P-C4' energy: -80.816 flat angles P-C4'-P energy: -36.338 tors. eta vs tors. theta energy: -103.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -1100.081878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.081878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.081878 (E_RNA) where: Base-Base interactions energy: -777.124 where: short stacking energy: -303.362 Base-Backbone interact. energy: 0.703 local terms energy: -323.660499 where: bonds (distance) C4'-P energy: -59.413 bonds (distance) P-C4' energy: -70.220 flat angles C4'-P-C4' energy: -71.312 flat angles P-C4'-P energy: -42.811 tors. eta vs tors. theta energy: -79.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1700.743822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.743822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.743822 (E_RNA) where: Base-Base interactions energy: -1252.821 where: short stacking energy: -486.613 Base-Backbone interact. energy: -0.152 local terms energy: -447.770887 where: bonds (distance) C4'-P energy: -70.417 bonds (distance) P-C4' energy: -77.376 flat angles C4'-P-C4' energy: -89.658 flat angles P-C4'-P energy: -62.519 tors. eta vs tors. theta energy: -147.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1584.836265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.836265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.836265 (E_RNA) where: Base-Base interactions energy: -1150.647 where: short stacking energy: -443.006 Base-Backbone interact. energy: -0.814 local terms energy: -433.374923 where: bonds (distance) C4'-P energy: -78.048 bonds (distance) P-C4' energy: -71.837 flat angles C4'-P-C4' energy: -90.264 flat angles P-C4'-P energy: -57.096 tors. eta vs tors. theta energy: -136.129 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: 329 Temperature: 1.000000 Total energy: -1544.274929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.274929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.274929 (E_RNA) where: Base-Base interactions energy: -1125.206 where: short stacking energy: -437.966 Base-Backbone interact. energy: -1.755 local terms energy: -417.313768 where: bonds (distance) C4'-P energy: -75.683 bonds (distance) P-C4' energy: -68.692 flat angles C4'-P-C4' energy: -90.905 flat angles P-C4'-P energy: -56.799 tors. eta vs tors. theta energy: -125.235 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: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1505.430021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.430021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.430021 (E_RNA) where: Base-Base interactions energy: -1095.984 where: short stacking energy: -430.558 Base-Backbone interact. energy: 0.473 local terms energy: -409.918629 where: bonds (distance) C4'-P energy: -60.808 bonds (distance) P-C4' energy: -75.191 flat angles C4'-P-C4' energy: -93.575 flat angles P-C4'-P energy: -55.863 tors. eta vs tors. theta energy: -124.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1494.692187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.692187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.692187 (E_RNA) where: Base-Base interactions energy: -1097.028 where: short stacking energy: -429.835 Base-Backbone interact. energy: 1.064 local terms energy: -398.728682 where: bonds (distance) C4'-P energy: -60.984 bonds (distance) P-C4' energy: -73.693 flat angles C4'-P-C4' energy: -87.846 flat angles P-C4'-P energy: -52.520 tors. eta vs tors. theta energy: -123.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1402.644834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.644834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.644834 (E_RNA) where: Base-Base interactions energy: -1038.415 where: short stacking energy: -403.783 Base-Backbone interact. energy: -0.282 local terms energy: -363.947249 where: bonds (distance) C4'-P energy: -66.590 bonds (distance) P-C4' energy: -57.492 flat angles C4'-P-C4' energy: -68.276 flat angles P-C4'-P energy: -55.044 tors. eta vs tors. theta energy: -116.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1304.158192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.158192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.158192 (E_RNA) where: Base-Base interactions energy: -931.102 where: short stacking energy: -361.179 Base-Backbone interact. energy: 0.230 local terms energy: -373.286435 where: bonds (distance) C4'-P energy: -70.682 bonds (distance) P-C4' energy: -69.269 flat angles C4'-P-C4' energy: -73.771 flat angles P-C4'-P energy: -58.873 tors. eta vs tors. theta energy: -100.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1299.405683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.405683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.405683 (E_RNA) where: Base-Base interactions energy: -952.433 where: short stacking energy: -371.013 Base-Backbone interact. energy: -0.797 local terms energy: -346.175533 where: bonds (distance) C4'-P energy: -64.958 bonds (distance) P-C4' energy: -61.913 flat angles C4'-P-C4' energy: -70.515 flat angles P-C4'-P energy: -50.389 tors. eta vs tors. theta energy: -98.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1284.764021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.764021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.764021 (E_RNA) where: Base-Base interactions energy: -932.553 where: short stacking energy: -363.689 Base-Backbone interact. energy: 0.855 local terms energy: -353.066913 where: bonds (distance) C4'-P energy: -58.476 bonds (distance) P-C4' energy: -64.044 flat angles C4'-P-C4' energy: -81.538 flat angles P-C4'-P energy: -48.960 tors. eta vs tors. theta energy: -100.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1081.205630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.205630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.205630 (E_RNA) where: Base-Base interactions energy: -748.782 where: short stacking energy: -301.368 Base-Backbone interact. energy: -0.782 local terms energy: -331.641331 where: bonds (distance) C4'-P energy: -54.039 bonds (distance) P-C4' energy: -62.766 flat angles C4'-P-C4' energy: -78.602 flat angles P-C4'-P energy: -51.873 tors. eta vs tors. theta energy: -84.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1720.732405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.732405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.732405 (E_RNA) where: Base-Base interactions energy: -1247.950 where: short stacking energy: -492.047 Base-Backbone interact. energy: -0.404 local terms energy: -472.378084 where: bonds (distance) C4'-P energy: -77.543 bonds (distance) P-C4' energy: -74.219 flat angles C4'-P-C4' energy: -95.059 flat angles P-C4'-P energy: -73.319 tors. eta vs tors. theta energy: -152.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1596.066319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.066319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.066319 (E_RNA) where: Base-Base interactions energy: -1155.930 where: short stacking energy: -447.992 Base-Backbone interact. energy: -0.450 local terms energy: -439.686085 where: bonds (distance) C4'-P energy: -75.776 bonds (distance) P-C4' energy: -75.221 flat angles C4'-P-C4' energy: -89.226 flat angles P-C4'-P energy: -66.604 tors. eta vs tors. theta energy: -132.859 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: 9 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1553.935228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.935228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.935228 (E_RNA) where: Base-Base interactions energy: -1142.270 where: short stacking energy: -429.396 Base-Backbone interact. energy: -1.331 local terms energy: -410.334591 where: bonds (distance) C4'-P energy: -67.365 bonds (distance) P-C4' energy: -73.022 flat angles C4'-P-C4' energy: -88.600 flat angles P-C4'-P energy: -52.886 tors. eta vs tors. theta energy: -128.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1516.266201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.266201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.266201 (E_RNA) where: Base-Base interactions energy: -1083.003 where: short stacking energy: -425.511 Base-Backbone interact. energy: -0.462 local terms energy: -432.801052 where: bonds (distance) C4'-P energy: -76.446 bonds (distance) P-C4' energy: -78.458 flat angles C4'-P-C4' energy: -87.185 flat angles P-C4'-P energy: -61.147 tors. eta vs tors. theta energy: -129.564 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: 5, replica: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1494.392809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.392809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.392809 (E_RNA) where: Base-Base interactions energy: -1081.799 where: short stacking energy: -421.533 Base-Backbone interact. energy: -0.104 local terms energy: -412.489870 where: bonds (distance) C4'-P energy: -74.004 bonds (distance) P-C4' energy: -62.630 flat angles C4'-P-C4' energy: -96.737 flat angles P-C4'-P energy: -63.195 tors. eta vs tors. theta energy: -115.924 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: 3 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1404.750830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.750830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.750830 (E_RNA) where: Base-Base interactions energy: -1039.016 where: short stacking energy: -396.886 Base-Backbone interact. energy: -1.092 local terms energy: -364.643265 where: bonds (distance) C4'-P energy: -68.078 bonds (distance) P-C4' energy: -60.100 flat angles C4'-P-C4' energy: -82.369 flat angles P-C4'-P energy: -42.195 tors. eta vs tors. theta energy: -111.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1325.951868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.951868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.951868 (E_RNA) where: Base-Base interactions energy: -954.781 where: short stacking energy: -371.911 Base-Backbone interact. energy: 0.169 local terms energy: -371.340116 where: bonds (distance) C4'-P energy: -54.605 bonds (distance) P-C4' energy: -73.832 flat angles C4'-P-C4' energy: -79.917 flat angles P-C4'-P energy: -60.395 tors. eta vs tors. theta energy: -102.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1283.763306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.763306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.763306 (E_RNA) where: Base-Base interactions energy: -933.185 where: short stacking energy: -378.018 Base-Backbone interact. energy: 0.172 local terms energy: -350.749766 where: bonds (distance) C4'-P energy: -50.474 bonds (distance) P-C4' energy: -58.060 flat angles C4'-P-C4' energy: -77.086 flat angles P-C4'-P energy: -48.316 tors. eta vs tors. theta energy: -116.814 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: 4 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1313.347262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.347262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.347262 (E_RNA) where: Base-Base interactions energy: -977.075 where: short stacking energy: -374.304 Base-Backbone interact. energy: 1.173 local terms energy: -337.445731 where: bonds (distance) C4'-P energy: -49.144 bonds (distance) P-C4' energy: -56.724 flat angles C4'-P-C4' energy: -73.827 flat angles P-C4'-P energy: -49.110 tors. eta vs tors. theta energy: -108.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1065.878218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.878218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.878218 (E_RNA) where: Base-Base interactions energy: -739.898 where: short stacking energy: -301.129 Base-Backbone interact. energy: -2.560 local terms energy: -323.420156 where: bonds (distance) C4'-P energy: -68.112 bonds (distance) P-C4' energy: -60.147 flat angles C4'-P-C4' energy: -68.956 flat angles P-C4'-P energy: -48.182 tors. eta vs tors. theta energy: -78.024 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: 5 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1706.559495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.559495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.559495 (E_RNA) where: Base-Base interactions energy: -1240.714 where: short stacking energy: -490.218 Base-Backbone interact. energy: -0.758 local terms energy: -465.087147 where: bonds (distance) C4'-P energy: -72.628 bonds (distance) P-C4' energy: -82.324 flat angles C4'-P-C4' energy: -96.491 flat angles P-C4'-P energy: -63.741 tors. eta vs tors. theta energy: -149.903 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: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1597.107434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.107434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.107434 (E_RNA) where: Base-Base interactions energy: -1162.922 where: short stacking energy: -454.747 Base-Backbone interact. energy: -1.684 local terms energy: -432.502030 where: bonds (distance) C4'-P energy: -72.170 bonds (distance) P-C4' energy: -66.937 flat angles C4'-P-C4' energy: -94.010 flat angles P-C4'-P energy: -66.892 tors. eta vs tors. theta energy: -132.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1553.144203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.144203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.144203 (E_RNA) where: Base-Base interactions energy: -1139.914 where: short stacking energy: -428.386 Base-Backbone interact. energy: -1.479 local terms energy: -411.751027 where: bonds (distance) C4'-P energy: -69.999 bonds (distance) P-C4' energy: -70.576 flat angles C4'-P-C4' energy: -87.404 flat angles P-C4'-P energy: -61.218 tors. eta vs tors. theta energy: -122.553 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: 2 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1515.356675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.356675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.356675 (E_RNA) where: Base-Base interactions energy: -1117.787 where: short stacking energy: -428.881 Base-Backbone interact. energy: 3.088 local terms energy: -400.657024 where: bonds (distance) C4'-P energy: -57.440 bonds (distance) P-C4' energy: -74.505 flat angles C4'-P-C4' energy: -90.277 flat angles P-C4'-P energy: -56.764 tors. eta vs tors. theta energy: -121.671 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: 10 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1462.478006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.478006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.478006 (E_RNA) where: Base-Base interactions energy: -1061.048 where: short stacking energy: -416.438 Base-Backbone interact. energy: 0.293 local terms energy: -401.723431 where: bonds (distance) C4'-P energy: -64.264 bonds (distance) P-C4' energy: -68.496 flat angles C4'-P-C4' energy: -92.639 flat angles P-C4'-P energy: -55.295 tors. eta vs tors. theta energy: -121.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1406.398482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.398482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.398482 (E_RNA) where: Base-Base interactions energy: -1019.967 where: short stacking energy: -400.212 Base-Backbone interact. energy: -0.453 local terms energy: -385.978646 where: bonds (distance) C4'-P energy: -69.455 bonds (distance) P-C4' energy: -73.922 flat angles C4'-P-C4' energy: -77.936 flat angles P-C4'-P energy: -47.803 tors. eta vs tors. theta energy: -116.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1310.867065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.867065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.867065 (E_RNA) where: Base-Base interactions energy: -938.831 where: short stacking energy: -367.568 Base-Backbone interact. energy: 0.305 local terms energy: -372.341123 where: bonds (distance) C4'-P energy: -65.512 bonds (distance) P-C4' energy: -80.178 flat angles C4'-P-C4' energy: -69.069 flat angles P-C4'-P energy: -51.785 tors. eta vs tors. theta energy: -105.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1271.700051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.700051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.700051 (E_RNA) where: Base-Base interactions energy: -899.214 where: short stacking energy: -344.800 Base-Backbone interact. energy: 2.415 local terms energy: -374.901422 where: bonds (distance) C4'-P energy: -67.111 bonds (distance) P-C4' energy: -67.827 flat angles C4'-P-C4' energy: -85.211 flat angles P-C4'-P energy: -49.721 tors. eta vs tors. theta energy: -105.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1317.716961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.716961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.716961 (E_RNA) where: Base-Base interactions energy: -945.187 where: short stacking energy: -374.714 Base-Backbone interact. energy: -0.350 local terms energy: -372.179754 where: bonds (distance) C4'-P energy: -63.371 bonds (distance) P-C4' energy: -72.603 flat angles C4'-P-C4' energy: -79.516 flat angles P-C4'-P energy: -43.981 tors. eta vs tors. theta energy: -112.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1022.705709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.705709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.705709 (E_RNA) where: Base-Base interactions energy: -738.706 where: short stacking energy: -295.235 Base-Backbone interact. energy: -0.338 local terms energy: -283.661354 where: bonds (distance) C4'-P energy: -47.017 bonds (distance) P-C4' energy: -56.988 flat angles C4'-P-C4' energy: -58.167 flat angles P-C4'-P energy: -47.665 tors. eta vs tors. theta energy: -73.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1704.082825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.082825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.082825 (E_RNA) where: Base-Base interactions energy: -1238.585 where: short stacking energy: -484.309 Base-Backbone interact. energy: -0.121 local terms energy: -465.377168 where: bonds (distance) C4'-P energy: -75.234 bonds (distance) P-C4' energy: -83.640 flat angles C4'-P-C4' energy: -92.812 flat angles P-C4'-P energy: -66.947 tors. eta vs tors. theta energy: -146.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1603.275503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.275503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.275503 (E_RNA) where: Base-Base interactions energy: -1170.464 where: short stacking energy: -464.464 Base-Backbone interact. energy: 0.339 local terms energy: -433.151259 where: bonds (distance) C4'-P energy: -80.985 bonds (distance) P-C4' energy: -72.558 flat angles C4'-P-C4' energy: -86.792 flat angles P-C4'-P energy: -59.847 tors. eta vs tors. theta energy: -132.969 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: 3, replica: 2 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1559.433054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.433054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.433054 (E_RNA) where: Base-Base interactions energy: -1134.412 where: short stacking energy: -441.121 Base-Backbone interact. energy: 2.844 local terms energy: -427.865408 where: bonds (distance) C4'-P energy: -78.278 bonds (distance) P-C4' energy: -72.636 flat angles C4'-P-C4' energy: -90.590 flat angles P-C4'-P energy: -57.472 tors. eta vs tors. theta energy: -128.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1512.741664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.741664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.741664 (E_RNA) where: Base-Base interactions energy: -1108.843 where: short stacking energy: -418.680 Base-Backbone interact. energy: -0.995 local terms energy: -402.904257 where: bonds (distance) C4'-P energy: -70.793 bonds (distance) P-C4' energy: -60.535 flat angles C4'-P-C4' energy: -82.586 flat angles P-C4'-P energy: -64.769 tors. eta vs tors. theta energy: -124.221 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: 5, replica: 10 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1481.521922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.521922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.521922 (E_RNA) where: Base-Base interactions energy: -1077.775 where: short stacking energy: -417.155 Base-Backbone interact. energy: -0.266 local terms energy: -403.481691 where: bonds (distance) C4'-P energy: -56.437 bonds (distance) P-C4' energy: -77.522 flat angles C4'-P-C4' energy: -87.552 flat angles P-C4'-P energy: -55.912 tors. eta vs tors. theta energy: -126.059 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: 3 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1440.234964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.234964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.234964 (E_RNA) where: Base-Base interactions energy: -1023.806 where: short stacking energy: -408.300 Base-Backbone interact. energy: -0.684 local terms energy: -415.744299 where: bonds (distance) C4'-P energy: -68.499 bonds (distance) P-C4' energy: -71.294 flat angles C4'-P-C4' energy: -88.751 flat angles P-C4'-P energy: -69.543 tors. eta vs tors. theta energy: -117.657 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: 7, replica: 1 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1352.840731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.840731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.840731 (E_RNA) where: Base-Base interactions energy: -977.654 where: short stacking energy: -379.594 Base-Backbone interact. energy: -1.449 local terms energy: -373.737547 where: bonds (distance) C4'-P energy: -54.612 bonds (distance) P-C4' energy: -65.670 flat angles C4'-P-C4' energy: -84.658 flat angles P-C4'-P energy: -57.002 tors. eta vs tors. theta energy: -111.795 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: 7 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1273.115109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.115109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.115109 (E_RNA) where: Base-Base interactions energy: -918.984 where: short stacking energy: -348.268 Base-Backbone interact. energy: -1.007 local terms energy: -353.124231 where: bonds (distance) C4'-P energy: -61.349 bonds (distance) P-C4' energy: -55.459 flat angles C4'-P-C4' energy: -78.162 flat angles P-C4'-P energy: -55.756 tors. eta vs tors. theta energy: -102.398 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: 9, replica: 4 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1332.824778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.824778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.824778 (E_RNA) where: Base-Base interactions energy: -968.419 where: short stacking energy: -375.472 Base-Backbone interact. energy: 0.550 local terms energy: -364.956257 where: bonds (distance) C4'-P energy: -53.187 bonds (distance) P-C4' energy: -70.325 flat angles C4'-P-C4' energy: -79.605 flat angles P-C4'-P energy: -45.774 tors. eta vs tors. theta energy: -116.065 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: 10, replica: 8 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1032.994316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.994316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.994316 (E_RNA) where: Base-Base interactions energy: -757.066 where: short stacking energy: -317.633 Base-Backbone interact. energy: 0.421 local terms energy: -276.349517 where: bonds (distance) C4'-P energy: -33.497 bonds (distance) P-C4' energy: -65.808 flat angles C4'-P-C4' energy: -45.536 flat angles P-C4'-P energy: -47.305 tors. eta vs tors. theta energy: -84.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1702.665838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.665838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.665838 (E_RNA) where: Base-Base interactions energy: -1232.639 where: short stacking energy: -480.772 Base-Backbone interact. energy: -0.491 local terms energy: -469.535850 where: bonds (distance) C4'-P energy: -85.527 bonds (distance) P-C4' energy: -67.365 flat angles C4'-P-C4' energy: -96.156 flat angles P-C4'-P energy: -70.796 tors. eta vs tors. theta energy: -149.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1603.317578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.317578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.317578 (E_RNA) where: Base-Base interactions energy: -1163.164 where: short stacking energy: -463.174 Base-Backbone interact. energy: -1.041 local terms energy: -439.112584 where: bonds (distance) C4'-P energy: -82.298 bonds (distance) P-C4' energy: -76.462 flat angles C4'-P-C4' energy: -86.843 flat angles P-C4'-P energy: -59.698 tors. eta vs tors. theta energy: -133.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1554.383740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.383740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.383740 (E_RNA) where: Base-Base interactions energy: -1136.485 where: short stacking energy: -449.343 Base-Backbone interact. energy: 2.776 local terms energy: -420.674565 where: bonds (distance) C4'-P energy: -71.299 bonds (distance) P-C4' energy: -68.018 flat angles C4'-P-C4' energy: -96.056 flat angles P-C4'-P energy: -54.777 tors. eta vs tors. theta energy: -130.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1479.730760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.730760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.730760 (E_RNA) where: Base-Base interactions energy: -1069.720 where: short stacking energy: -412.428 Base-Backbone interact. energy: -0.721 local terms energy: -409.290444 where: bonds (distance) C4'-P energy: -61.236 bonds (distance) P-C4' energy: -74.822 flat angles C4'-P-C4' energy: -89.150 flat angles P-C4'-P energy: -53.221 tors. eta vs tors. theta energy: -130.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1503.264678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.264678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.264678 (E_RNA) where: Base-Base interactions energy: -1096.884 where: short stacking energy: -408.564 Base-Backbone interact. energy: -0.865 local terms energy: -405.515751 where: bonds (distance) C4'-P energy: -67.075 bonds (distance) P-C4' energy: -75.920 flat angles C4'-P-C4' energy: -83.131 flat angles P-C4'-P energy: -53.006 tors. eta vs tors. theta energy: -126.384 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: 3 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1431.467501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.467501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.467501 (E_RNA) where: Base-Base interactions energy: -1048.109 where: short stacking energy: -402.349 Base-Backbone interact. energy: -0.432 local terms energy: -382.927423 where: bonds (distance) C4'-P energy: -54.475 bonds (distance) P-C4' energy: -66.671 flat angles C4'-P-C4' energy: -78.180 flat angles P-C4'-P energy: -59.298 tors. eta vs tors. theta energy: -124.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1392.021659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.021659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.021659 (E_RNA) where: Base-Base interactions energy: -1029.397 where: short stacking energy: -379.944 Base-Backbone interact. energy: 0.471 local terms energy: -363.095831 where: bonds (distance) C4'-P energy: -62.418 bonds (distance) P-C4' energy: -57.124 flat angles C4'-P-C4' energy: -74.164 flat angles P-C4'-P energy: -53.187 tors. eta vs tors. theta energy: -116.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1301.115641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.115641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.115641 (E_RNA) where: Base-Base interactions energy: -931.611 where: short stacking energy: -353.017 Base-Backbone interact. energy: -1.851 local terms energy: -367.653976 where: bonds (distance) C4'-P energy: -62.010 bonds (distance) P-C4' energy: -73.613 flat angles C4'-P-C4' energy: -78.812 flat angles P-C4'-P energy: -49.956 tors. eta vs tors. theta energy: -103.263 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: 333 Temperature: 1.300000 Total energy: -1225.154606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.154606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.154606 (E_RNA) where: Base-Base interactions energy: -869.541 where: short stacking energy: -346.876 Base-Backbone interact. energy: 0.103 local terms energy: -355.716575 where: bonds (distance) C4'-P energy: -70.091 bonds (distance) P-C4' energy: -58.790 flat angles C4'-P-C4' energy: -81.654 flat angles P-C4'-P energy: -49.096 tors. eta vs tors. theta energy: -96.085 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: 8 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1047.222757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.222757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.222757 (E_RNA) where: Base-Base interactions energy: -759.661 where: short stacking energy: -293.629 Base-Backbone interact. energy: -0.750 local terms energy: -286.811468 where: bonds (distance) C4'-P energy: -46.902 bonds (distance) P-C4' energy: -57.082 flat angles C4'-P-C4' energy: -68.840 flat angles P-C4'-P energy: -33.942 tors. eta vs tors. theta energy: -80.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1720.181827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.181827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.181827 (E_RNA) where: Base-Base interactions energy: -1261.655 where: short stacking energy: -490.650 Base-Backbone interact. energy: -0.312 local terms energy: -458.214441 where: bonds (distance) C4'-P energy: -68.384 bonds (distance) P-C4' energy: -80.467 flat angles C4'-P-C4' energy: -92.087 flat angles P-C4'-P energy: -67.228 tors. eta vs tors. theta energy: -150.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1609.099812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.099812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.099812 (E_RNA) where: Base-Base interactions energy: -1176.247 where: short stacking energy: -461.547 Base-Backbone interact. energy: 2.816 local terms energy: -435.669253 where: bonds (distance) C4'-P energy: -72.393 bonds (distance) P-C4' energy: -78.391 flat angles C4'-P-C4' energy: -84.190 flat angles P-C4'-P energy: -70.846 tors. eta vs tors. theta energy: -129.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1556.578791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.578791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.578791 (E_RNA) where: Base-Base interactions energy: -1139.459 where: short stacking energy: -438.331 Base-Backbone interact. energy: -0.338 local terms energy: -416.781558 where: bonds (distance) C4'-P energy: -72.602 bonds (distance) P-C4' energy: -72.057 flat angles C4'-P-C4' energy: -83.653 flat angles P-C4'-P energy: -68.174 tors. eta vs tors. theta energy: -120.296 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: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1485.656311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.656311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.656311 (E_RNA) where: Base-Base interactions energy: -1066.080 where: short stacking energy: -420.894 Base-Backbone interact. energy: 0.400 local terms energy: -419.976613 where: bonds (distance) C4'-P energy: -71.924 bonds (distance) P-C4' energy: -73.072 flat angles C4'-P-C4' energy: -91.651 flat angles P-C4'-P energy: -53.990 tors. eta vs tors. theta energy: -129.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1516.401415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.401415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.401415 (E_RNA) where: Base-Base interactions energy: -1106.175 where: short stacking energy: -419.967 Base-Backbone interact. energy: 0.830 local terms energy: -411.056357 where: bonds (distance) C4'-P energy: -77.280 bonds (distance) P-C4' energy: -64.367 flat angles C4'-P-C4' energy: -87.001 flat angles P-C4'-P energy: -58.187 tors. eta vs tors. theta energy: -124.221 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: 3 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1420.241715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.241715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.241715 (E_RNA) where: Base-Base interactions energy: -1038.265 where: short stacking energy: -400.331 Base-Backbone interact. energy: 0.788 local terms energy: -382.764599 where: bonds (distance) C4'-P energy: -68.112 bonds (distance) P-C4' energy: -57.900 flat angles C4'-P-C4' energy: -87.249 flat angles P-C4'-P energy: -55.803 tors. eta vs tors. theta energy: -113.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1413.367934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.367934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.367934 (E_RNA) where: Base-Base interactions energy: -1033.784 where: short stacking energy: -414.341 Base-Backbone interact. energy: -0.278 local terms energy: -379.305802 where: bonds (distance) C4'-P energy: -61.135 bonds (distance) P-C4' energy: -59.731 flat angles C4'-P-C4' energy: -78.834 flat angles P-C4'-P energy: -51.703 tors. eta vs tors. theta energy: -127.903 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: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1288.413717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.413717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.413717 (E_RNA) where: Base-Base interactions energy: -916.707 where: short stacking energy: -362.300 Base-Backbone interact. energy: -0.174 local terms energy: -371.532321 where: bonds (distance) C4'-P energy: -66.466 bonds (distance) P-C4' energy: -67.707 flat angles C4'-P-C4' energy: -73.600 flat angles P-C4'-P energy: -57.512 tors. eta vs tors. theta energy: -106.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1260.978086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.978086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.978086 (E_RNA) where: Base-Base interactions energy: -902.923 where: short stacking energy: -360.847 Base-Backbone interact. energy: 0.147 local terms energy: -358.202035 where: bonds (distance) C4'-P energy: -67.855 bonds (distance) P-C4' energy: -51.609 flat angles C4'-P-C4' energy: -83.118 flat angles P-C4'-P energy: -51.478 tors. eta vs tors. theta energy: -104.143 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: 8 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1135.681231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.681231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.681231 (E_RNA) where: Base-Base interactions energy: -821.932 where: short stacking energy: -305.757 Base-Backbone interact. energy: -0.397 local terms energy: -313.352077 where: bonds (distance) C4'-P energy: -47.837 bonds (distance) P-C4' energy: -69.824 flat angles C4'-P-C4' energy: -66.269 flat angles P-C4'-P energy: -45.805 tors. eta vs tors. theta energy: -83.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1697.548852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.548852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.548852 (E_RNA) where: Base-Base interactions energy: -1236.911 where: short stacking energy: -481.995 Base-Backbone interact. energy: -0.210 local terms energy: -460.427730 where: bonds (distance) C4'-P energy: -77.266 bonds (distance) P-C4' energy: -79.222 flat angles C4'-P-C4' energy: -93.669 flat angles P-C4'-P energy: -67.193 tors. eta vs tors. theta energy: -143.077 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: 6 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1568.772299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.772299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.772299 (E_RNA) where: Base-Base interactions energy: -1149.638 where: short stacking energy: -444.057 Base-Backbone interact. energy: 2.961 local terms energy: -422.095872 where: bonds (distance) C4'-P energy: -69.032 bonds (distance) P-C4' energy: -67.620 flat angles C4'-P-C4' energy: -89.343 flat angles P-C4'-P energy: -62.869 tors. eta vs tors. theta energy: -133.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1528.866163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.866163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.866163 (E_RNA) where: Base-Base interactions energy: -1101.503 where: short stacking energy: -417.792 Base-Backbone interact. energy: 0.612 local terms energy: -427.974596 where: bonds (distance) C4'-P energy: -74.168 bonds (distance) P-C4' energy: -78.637 flat angles C4'-P-C4' energy: -85.502 flat angles P-C4'-P energy: -67.075 tors. eta vs tors. theta energy: -122.592 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: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1494.958983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.958983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.958983 (E_RNA) where: Base-Base interactions energy: -1069.012 where: short stacking energy: -428.684 Base-Backbone interact. energy: -0.256 local terms energy: -425.690906 where: bonds (distance) C4'-P energy: -78.260 bonds (distance) P-C4' energy: -75.598 flat angles C4'-P-C4' energy: -84.980 flat angles P-C4'-P energy: -51.284 tors. eta vs tors. theta energy: -135.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1510.931742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.931742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.931742 (E_RNA) where: Base-Base interactions energy: -1119.378 where: short stacking energy: -416.056 Base-Backbone interact. energy: 0.549 local terms energy: -392.101938 where: bonds (distance) C4'-P energy: -74.965 bonds (distance) P-C4' energy: -67.628 flat angles C4'-P-C4' energy: -76.878 flat angles P-C4'-P energy: -56.258 tors. eta vs tors. theta energy: -116.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1401.432210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.432210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.432210 (E_RNA) where: Base-Base interactions energy: -1031.309 where: short stacking energy: -399.431 Base-Backbone interact. energy: 0.802 local terms energy: -370.925029 where: bonds (distance) C4'-P energy: -74.572 bonds (distance) P-C4' energy: -60.828 flat angles C4'-P-C4' energy: -73.934 flat angles P-C4'-P energy: -53.152 tors. eta vs tors. theta energy: -108.439 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: 1 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1396.114811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.114811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.114811 (E_RNA) where: Base-Base interactions energy: -1001.059 where: short stacking energy: -391.281 Base-Backbone interact. energy: 0.290 local terms energy: -395.345519 where: bonds (distance) C4'-P energy: -75.290 bonds (distance) P-C4' energy: -58.703 flat angles C4'-P-C4' energy: -82.504 flat angles P-C4'-P energy: -61.014 tors. eta vs tors. theta energy: -117.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1280.978872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.978872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.978872 (E_RNA) where: Base-Base interactions energy: -934.907 where: short stacking energy: -360.273 Base-Backbone interact. energy: -1.519 local terms energy: -344.553094 where: bonds (distance) C4'-P energy: -61.794 bonds (distance) P-C4' energy: -55.284 flat angles C4'-P-C4' energy: -73.940 flat angles P-C4'-P energy: -45.870 tors. eta vs tors. theta energy: -107.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1233.328223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.328223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.328223 (E_RNA) where: Base-Base interactions energy: -881.359 where: short stacking energy: -347.019 Base-Backbone interact. energy: -0.422 local terms energy: -351.546696 where: bonds (distance) C4'-P energy: -62.861 bonds (distance) P-C4' energy: -66.690 flat angles C4'-P-C4' energy: -76.449 flat angles P-C4'-P energy: -47.203 tors. eta vs tors. theta energy: -98.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1165.079131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.079131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.079131 (E_RNA) where: Base-Base interactions energy: -842.997 where: short stacking energy: -337.110 Base-Backbone interact. energy: -1.759 local terms energy: -320.323962 where: bonds (distance) C4'-P energy: -54.879 bonds (distance) P-C4' energy: -70.632 flat angles C4'-P-C4' energy: -63.459 flat angles P-C4'-P energy: -38.711 tors. eta vs tors. theta energy: -92.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1713.082221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.082221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.082221 (E_RNA) where: Base-Base interactions energy: -1240.851 where: short stacking energy: -483.088 Base-Backbone interact. energy: -0.236 local terms energy: -471.994819 where: bonds (distance) C4'-P energy: -77.337 bonds (distance) P-C4' energy: -81.103 flat angles C4'-P-C4' energy: -92.469 flat angles P-C4'-P energy: -74.724 tors. eta vs tors. theta energy: -146.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1583.401639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.401639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.401639 (E_RNA) where: Base-Base interactions energy: -1163.580 where: short stacking energy: -445.280 Base-Backbone interact. energy: -1.138 local terms energy: -418.682970 where: bonds (distance) C4'-P energy: -75.370 bonds (distance) P-C4' energy: -63.275 flat angles C4'-P-C4' energy: -85.747 flat angles P-C4'-P energy: -64.391 tors. eta vs tors. theta energy: -129.900 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: 2 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1542.288675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.288675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.288675 (E_RNA) where: Base-Base interactions energy: -1134.183 where: short stacking energy: -438.199 Base-Backbone interact. energy: -0.283 local terms energy: -407.822794 where: bonds (distance) C4'-P energy: -68.417 bonds (distance) P-C4' energy: -67.555 flat angles C4'-P-C4' energy: -82.222 flat angles P-C4'-P energy: -63.712 tors. eta vs tors. theta energy: -125.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1500.954229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.954229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.954229 (E_RNA) where: Base-Base interactions energy: -1079.231 where: short stacking energy: -416.515 Base-Backbone interact. energy: -1.408 local terms energy: -420.316056 where: bonds (distance) C4'-P energy: -68.700 bonds (distance) P-C4' energy: -81.512 flat angles C4'-P-C4' energy: -87.649 flat angles P-C4'-P energy: -55.363 tors. eta vs tors. theta energy: -127.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1505.126805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.126805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.126805 (E_RNA) where: Base-Base interactions energy: -1111.992 where: short stacking energy: -414.262 Base-Backbone interact. energy: -0.777 local terms energy: -392.357237 where: bonds (distance) C4'-P energy: -67.437 bonds (distance) P-C4' energy: -61.531 flat angles C4'-P-C4' energy: -85.566 flat angles P-C4'-P energy: -53.443 tors. eta vs tors. theta energy: -124.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1409.380566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.380566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.380566 (E_RNA) where: Base-Base interactions energy: -1021.451 where: short stacking energy: -389.470 Base-Backbone interact. energy: -0.016 local terms energy: -387.913286 where: bonds (distance) C4'-P energy: -55.656 bonds (distance) P-C4' energy: -66.005 flat angles C4'-P-C4' energy: -91.083 flat angles P-C4'-P energy: -54.564 tors. eta vs tors. theta energy: -120.606 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: 1 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1400.573620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.573620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.573620 (E_RNA) where: Base-Base interactions energy: -1034.863 where: short stacking energy: -407.653 Base-Backbone interact. energy: 3.346 local terms energy: -369.056125 where: bonds (distance) C4'-P energy: -48.538 bonds (distance) P-C4' energy: -62.194 flat angles C4'-P-C4' energy: -82.704 flat angles P-C4'-P energy: -57.394 tors. eta vs tors. theta energy: -118.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1272.997996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.997996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.997996 (E_RNA) where: Base-Base interactions energy: -901.603 where: short stacking energy: -347.392 Base-Backbone interact. energy: 1.882 local terms energy: -373.276833 where: bonds (distance) C4'-P energy: -75.468 bonds (distance) P-C4' energy: -66.294 flat angles C4'-P-C4' energy: -74.430 flat angles P-C4'-P energy: -53.475 tors. eta vs tors. theta energy: -103.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1257.553468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.553468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.553468 (E_RNA) where: Base-Base interactions energy: -895.098 where: short stacking energy: -340.246 Base-Backbone interact. energy: -1.212 local terms energy: -361.243319 where: bonds (distance) C4'-P energy: -62.529 bonds (distance) P-C4' energy: -60.624 flat angles C4'-P-C4' energy: -79.341 flat angles P-C4'-P energy: -52.291 tors. eta vs tors. theta energy: -106.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1159.679478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.679478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.679478 (E_RNA) where: Base-Base interactions energy: -834.062 where: short stacking energy: -329.938 Base-Backbone interact. energy: 1.085 local terms energy: -326.702180 where: bonds (distance) C4'-P energy: -53.949 bonds (distance) P-C4' energy: -51.204 flat angles C4'-P-C4' energy: -65.884 flat angles P-C4'-P energy: -53.937 tors. eta vs tors. theta energy: -101.730 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: 1, replica: 5 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1709.723228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.723228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.723228 (E_RNA) where: Base-Base interactions energy: -1235.666 where: short stacking energy: -490.186 Base-Backbone interact. energy: -0.004 local terms energy: -474.053679 where: bonds (distance) C4'-P energy: -78.391 bonds (distance) P-C4' energy: -78.277 flat angles C4'-P-C4' energy: -98.137 flat angles P-C4'-P energy: -69.140 tors. eta vs tors. theta energy: -150.108 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: 6 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1589.722749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.722749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.722749 (E_RNA) where: Base-Base interactions energy: -1145.941 where: short stacking energy: -454.088 Base-Backbone interact. energy: -1.109 local terms energy: -442.673388 where: bonds (distance) C4'-P energy: -73.076 bonds (distance) P-C4' energy: -80.049 flat angles C4'-P-C4' energy: -92.371 flat angles P-C4'-P energy: -58.642 tors. eta vs tors. theta energy: -138.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1548.107199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.107199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.107199 (E_RNA) where: Base-Base interactions energy: -1133.200 where: short stacking energy: -440.301 Base-Backbone interact. energy: 0.261 local terms energy: -415.167912 where: bonds (distance) C4'-P energy: -65.376 bonds (distance) P-C4' energy: -69.073 flat angles C4'-P-C4' energy: -89.740 flat angles P-C4'-P energy: -65.659 tors. eta vs tors. theta energy: -125.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1519.570778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.570778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.570778 (E_RNA) where: Base-Base interactions energy: -1121.058 where: short stacking energy: -414.991 Base-Backbone interact. energy: 0.480 local terms energy: -398.992787 where: bonds (distance) C4'-P energy: -62.117 bonds (distance) P-C4' energy: -67.709 flat angles C4'-P-C4' energy: -84.321 flat angles P-C4'-P energy: -63.825 tors. eta vs tors. theta energy: -121.021 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: 337 Temperature: 1.100000 Total energy: -1454.071586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.071586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.071586 (E_RNA) where: Base-Base interactions energy: -1065.503 where: short stacking energy: -418.173 Base-Backbone interact. energy: -0.676 local terms energy: -387.893271 where: bonds (distance) C4'-P energy: -59.265 bonds (distance) P-C4' energy: -68.789 flat angles C4'-P-C4' energy: -80.970 flat angles P-C4'-P energy: -55.453 tors. eta vs tors. theta energy: -123.417 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: 1 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1447.724224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.724224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.724224 (E_RNA) where: Base-Base interactions energy: -1041.019 where: short stacking energy: -399.400 Base-Backbone interact. energy: 4.169 local terms energy: -410.874252 where: bonds (distance) C4'-P energy: -67.435 bonds (distance) P-C4' energy: -75.380 flat angles C4'-P-C4' energy: -88.492 flat angles P-C4'-P energy: -56.660 tors. eta vs tors. theta energy: -122.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1405.039215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.039215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.039215 (E_RNA) where: Base-Base interactions energy: -1012.072 where: short stacking energy: -391.761 Base-Backbone interact. energy: -0.198 local terms energy: -392.769559 where: bonds (distance) C4'-P energy: -72.332 bonds (distance) P-C4' energy: -69.002 flat angles C4'-P-C4' energy: -80.957 flat angles P-C4'-P energy: -54.171 tors. eta vs tors. theta energy: -116.307 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: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1288.416882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.416882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.416882 (E_RNA) where: Base-Base interactions energy: -927.092 where: short stacking energy: -368.004 Base-Backbone interact. energy: -0.672 local terms energy: -360.652779 where: bonds (distance) C4'-P energy: -67.957 bonds (distance) P-C4' energy: -56.008 flat angles C4'-P-C4' energy: -84.570 flat angles P-C4'-P energy: -52.115 tors. eta vs tors. theta energy: -100.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1218.501216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.501216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.501216 (E_RNA) where: Base-Base interactions energy: -891.897 where: short stacking energy: -339.403 Base-Backbone interact. energy: -1.562 local terms energy: -325.041827 where: bonds (distance) C4'-P energy: -61.349 bonds (distance) P-C4' energy: -55.611 flat angles C4'-P-C4' energy: -71.542 flat angles P-C4'-P energy: -41.099 tors. eta vs tors. theta energy: -95.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1142.163282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.163282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.163282 (E_RNA) where: Base-Base interactions energy: -816.837 where: short stacking energy: -315.926 Base-Backbone interact. energy: -2.510 local terms energy: -322.816535 where: bonds (distance) C4'-P energy: -62.186 bonds (distance) P-C4' energy: -62.221 flat angles C4'-P-C4' energy: -69.246 flat angles P-C4'-P energy: -48.462 tors. eta vs tors. theta energy: -80.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1724.623167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.623167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.623167 (E_RNA) where: Base-Base interactions energy: -1248.089 where: short stacking energy: -486.528 Base-Backbone interact. energy: -0.038 local terms energy: -476.496380 where: bonds (distance) C4'-P energy: -86.647 bonds (distance) P-C4' energy: -78.500 flat angles C4'-P-C4' energy: -102.915 flat angles P-C4'-P energy: -60.701 tors. eta vs tors. theta energy: -147.733 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: 6 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1590.735879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.735879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.735879 (E_RNA) where: Base-Base interactions energy: -1160.818 where: short stacking energy: -448.985 Base-Backbone interact. energy: 5.418 local terms energy: -435.335865 where: bonds (distance) C4'-P energy: -69.265 bonds (distance) P-C4' energy: -84.914 flat angles C4'-P-C4' energy: -91.078 flat angles P-C4'-P energy: -62.575 tors. eta vs tors. theta energy: -127.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1573.258225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.258225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.258225 (E_RNA) where: Base-Base interactions energy: -1140.388 where: short stacking energy: -440.230 Base-Backbone interact. energy: -2.287 local terms energy: -430.583786 where: bonds (distance) C4'-P energy: -80.816 bonds (distance) P-C4' energy: -66.240 flat angles C4'-P-C4' energy: -90.646 flat angles P-C4'-P energy: -66.618 tors. eta vs tors. theta energy: -126.263 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: 2 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1516.619038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.619038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.619038 (E_RNA) where: Base-Base interactions energy: -1119.365 where: short stacking energy: -431.413 Base-Backbone interact. energy: -0.619 local terms energy: -396.634567 where: bonds (distance) C4'-P energy: -68.722 bonds (distance) P-C4' energy: -65.063 flat angles C4'-P-C4' energy: -83.960 flat angles P-C4'-P energy: -55.122 tors. eta vs tors. theta energy: -123.767 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: 338 Temperature: 1.100000 Total energy: -1483.390616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.390616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.390616 (E_RNA) where: Base-Base interactions energy: -1074.046 where: short stacking energy: -423.745 Base-Backbone interact. energy: -0.949 local terms energy: -408.395742 where: bonds (distance) C4'-P energy: -70.113 bonds (distance) P-C4' energy: -75.450 flat angles C4'-P-C4' energy: -83.432 flat angles P-C4'-P energy: -50.975 tors. eta vs tors. theta energy: -128.427 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: 6, replica: 1 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1436.082781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.082781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.082781 (E_RNA) where: Base-Base interactions energy: -1051.791 where: short stacking energy: -411.202 Base-Backbone interact. energy: -3.764 local terms energy: -380.527468 where: bonds (distance) C4'-P energy: -71.905 bonds (distance) P-C4' energy: -65.645 flat angles C4'-P-C4' energy: -80.569 flat angles P-C4'-P energy: -41.785 tors. eta vs tors. theta energy: -120.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1397.282702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.282702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.282702 (E_RNA) where: Base-Base interactions energy: -1020.763 where: short stacking energy: -394.310 Base-Backbone interact. energy: -0.173 local terms energy: -376.346505 where: bonds (distance) C4'-P energy: -67.686 bonds (distance) P-C4' energy: -62.451 flat angles C4'-P-C4' energy: -74.134 flat angles P-C4'-P energy: -57.405 tors. eta vs tors. theta energy: -114.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1267.685210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.685210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.685210 (E_RNA) where: Base-Base interactions energy: -918.558 where: short stacking energy: -351.204 Base-Backbone interact. energy: -0.860 local terms energy: -348.267425 where: bonds (distance) C4'-P energy: -65.748 bonds (distance) P-C4' energy: -61.019 flat angles C4'-P-C4' energy: -70.727 flat angles P-C4'-P energy: -47.671 tors. eta vs tors. theta energy: -103.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1293.700540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.700540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.700540 (E_RNA) where: Base-Base interactions energy: -934.141 where: short stacking energy: -366.143 Base-Backbone interact. energy: 2.565 local terms energy: -362.124466 where: bonds (distance) C4'-P energy: -71.579 bonds (distance) P-C4' energy: -54.593 flat angles C4'-P-C4' energy: -72.049 flat angles P-C4'-P energy: -56.122 tors. eta vs tors. theta energy: -107.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1173.305626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.305626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.305626 (E_RNA) where: Base-Base interactions energy: -837.640 where: short stacking energy: -330.245 Base-Backbone interact. energy: -0.258 local terms energy: -335.407241 where: bonds (distance) C4'-P energy: -55.086 bonds (distance) P-C4' energy: -61.210 flat angles C4'-P-C4' energy: -71.662 flat angles P-C4'-P energy: -48.779 tors. eta vs tors. theta energy: -98.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1705.577013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.577013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.577013 (E_RNA) where: Base-Base interactions energy: -1253.120 where: short stacking energy: -496.938 Base-Backbone interact. energy: -1.237 local terms energy: -451.219116 where: bonds (distance) C4'-P energy: -74.335 bonds (distance) P-C4' energy: -75.022 flat angles C4'-P-C4' energy: -92.908 flat angles P-C4'-P energy: -64.940 tors. eta vs tors. theta energy: -144.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1568.448280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.448280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.448280 (E_RNA) where: Base-Base interactions energy: -1142.178 where: short stacking energy: -442.172 Base-Backbone interact. energy: 0.774 local terms energy: -427.044066 where: bonds (distance) C4'-P energy: -79.123 bonds (distance) P-C4' energy: -65.729 flat angles C4'-P-C4' energy: -89.535 flat angles P-C4'-P energy: -62.876 tors. eta vs tors. theta energy: -129.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1534.761236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.761236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.761236 (E_RNA) where: Base-Base interactions energy: -1120.386 where: short stacking energy: -426.149 Base-Backbone interact. energy: -1.608 local terms energy: -412.766999 where: bonds (distance) C4'-P energy: -76.472 bonds (distance) P-C4' energy: -66.759 flat angles C4'-P-C4' energy: -87.527 flat angles P-C4'-P energy: -59.007 tors. eta vs tors. theta energy: -123.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1506.754170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.754170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.754170 (E_RNA) where: Base-Base interactions energy: -1102.027 where: short stacking energy: -414.811 Base-Backbone interact. energy: -1.477 local terms energy: -403.249957 where: bonds (distance) C4'-P energy: -64.381 bonds (distance) P-C4' energy: -81.839 flat angles C4'-P-C4' energy: -80.286 flat angles P-C4'-P energy: -56.908 tors. eta vs tors. theta energy: -119.836 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: 10 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1484.234175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.234175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.234175 (E_RNA) where: Base-Base interactions energy: -1075.839 where: short stacking energy: -421.278 Base-Backbone interact. energy: -0.520 local terms energy: -407.874975 where: bonds (distance) C4'-P energy: -74.287 bonds (distance) P-C4' energy: -68.240 flat angles C4'-P-C4' energy: -82.427 flat angles P-C4'-P energy: -59.855 tors. eta vs tors. theta energy: -123.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1430.740519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.740519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.740519 (E_RNA) where: Base-Base interactions energy: -1052.514 where: short stacking energy: -411.331 Base-Backbone interact. energy: -1.011 local terms energy: -377.215842 where: bonds (distance) C4'-P energy: -69.420 bonds (distance) P-C4' energy: -54.472 flat angles C4'-P-C4' energy: -78.977 flat angles P-C4'-P energy: -53.424 tors. eta vs tors. theta energy: -120.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1383.625017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.625017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.625017 (E_RNA) where: Base-Base interactions energy: -1013.372 where: short stacking energy: -384.070 Base-Backbone interact. energy: -0.840 local terms energy: -369.413431 where: bonds (distance) C4'-P energy: -55.782 bonds (distance) P-C4' energy: -69.599 flat angles C4'-P-C4' energy: -79.124 flat angles P-C4'-P energy: -54.461 tors. eta vs tors. theta energy: -110.447 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: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1280.067568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.067568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.067568 (E_RNA) where: Base-Base interactions energy: -915.547 where: short stacking energy: -368.445 Base-Backbone interact. energy: -0.661 local terms energy: -363.860311 where: bonds (distance) C4'-P energy: -62.592 bonds (distance) P-C4' energy: -66.547 flat angles C4'-P-C4' energy: -81.505 flat angles P-C4'-P energy: -51.658 tors. eta vs tors. theta energy: -101.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1275.843217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.843217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.843217 (E_RNA) where: Base-Base interactions energy: -909.861 where: short stacking energy: -345.805 Base-Backbone interact. energy: 0.399 local terms energy: -366.380996 where: bonds (distance) C4'-P energy: -58.319 bonds (distance) P-C4' energy: -77.895 flat angles C4'-P-C4' energy: -78.133 flat angles P-C4'-P energy: -52.644 tors. eta vs tors. theta energy: -99.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1139.767084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.767084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.767084 (E_RNA) where: Base-Base interactions energy: -798.073 where: short stacking energy: -316.431 Base-Backbone interact. energy: -0.798 local terms energy: -340.895410 where: bonds (distance) C4'-P energy: -71.116 bonds (distance) P-C4' energy: -52.859 flat angles C4'-P-C4' energy: -76.298 flat angles P-C4'-P energy: -49.282 tors. eta vs tors. theta energy: -91.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1703.577621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.577621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.577621 (E_RNA) where: Base-Base interactions energy: -1243.869 where: short stacking energy: -485.288 Base-Backbone interact. energy: -0.157 local terms energy: -459.551210 where: bonds (distance) C4'-P energy: -75.774 bonds (distance) P-C4' energy: -73.733 flat angles C4'-P-C4' energy: -89.259 flat angles P-C4'-P energy: -73.137 tors. eta vs tors. theta energy: -147.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1575.380389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.380389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.380389 (E_RNA) where: Base-Base interactions energy: -1155.304 where: short stacking energy: -450.025 Base-Backbone interact. energy: 1.696 local terms energy: -421.772598 where: bonds (distance) C4'-P energy: -74.246 bonds (distance) P-C4' energy: -70.841 flat angles C4'-P-C4' energy: -86.967 flat angles P-C4'-P energy: -62.901 tors. eta vs tors. theta energy: -126.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1547.767446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.767446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.767446 (E_RNA) where: Base-Base interactions energy: -1131.421 where: short stacking energy: -429.401 Base-Backbone interact. energy: -1.614 local terms energy: -414.732180 where: bonds (distance) C4'-P energy: -76.670 bonds (distance) P-C4' energy: -73.215 flat angles C4'-P-C4' energy: -84.428 flat angles P-C4'-P energy: -58.616 tors. eta vs tors. theta energy: -121.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1509.813140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.813140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.813140 (E_RNA) where: Base-Base interactions energy: -1110.157 where: short stacking energy: -427.634 Base-Backbone interact. energy: -1.004 local terms energy: -398.651942 where: bonds (distance) C4'-P energy: -62.471 bonds (distance) P-C4' energy: -71.776 flat angles C4'-P-C4' energy: -79.295 flat angles P-C4'-P energy: -60.471 tors. eta vs tors. theta energy: -124.639 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: 10 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1473.801181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.801181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.801181 (E_RNA) where: Base-Base interactions energy: -1062.878 where: short stacking energy: -418.995 Base-Backbone interact. energy: -0.080 local terms energy: -410.843227 where: bonds (distance) C4'-P energy: -65.035 bonds (distance) P-C4' energy: -68.170 flat angles C4'-P-C4' energy: -84.252 flat angles P-C4'-P energy: -63.965 tors. eta vs tors. theta energy: -129.421 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: 1 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1430.515173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.515173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.515173 (E_RNA) where: Base-Base interactions energy: -1045.882 where: short stacking energy: -393.728 Base-Backbone interact. energy: 0.223 local terms energy: -384.855934 where: bonds (distance) C4'-P energy: -63.675 bonds (distance) P-C4' energy: -73.808 flat angles C4'-P-C4' energy: -81.369 flat angles P-C4'-P energy: -51.550 tors. eta vs tors. theta energy: -114.454 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: 340 Temperature: 1.200000 Total energy: -1334.381243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.381243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.381243 (E_RNA) where: Base-Base interactions energy: -968.531 where: short stacking energy: -375.694 Base-Backbone interact. energy: 0.800 local terms energy: -366.650189 where: bonds (distance) C4'-P energy: -55.916 bonds (distance) P-C4' energy: -63.137 flat angles C4'-P-C4' energy: -81.032 flat angles P-C4'-P energy: -53.906 tors. eta vs tors. theta energy: -112.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1397.442925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.442925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.442925 (E_RNA) where: Base-Base interactions energy: -1012.529 where: short stacking energy: -390.669 Base-Backbone interact. energy: 1.318 local terms energy: -386.231681 where: bonds (distance) C4'-P energy: -66.204 bonds (distance) P-C4' energy: -70.604 flat angles C4'-P-C4' energy: -76.179 flat angles P-C4'-P energy: -52.586 tors. eta vs tors. theta energy: -120.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1277.574543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.574543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.574543 (E_RNA) where: Base-Base interactions energy: -925.380 where: short stacking energy: -365.216 Base-Backbone interact. energy: -0.804 local terms energy: -351.390053 where: bonds (distance) C4'-P energy: -63.421 bonds (distance) P-C4' energy: -65.092 flat angles C4'-P-C4' energy: -63.687 flat angles P-C4'-P energy: -53.083 tors. eta vs tors. theta energy: -106.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1140.406097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.406097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.406097 (E_RNA) where: Base-Base interactions energy: -825.622 where: short stacking energy: -333.587 Base-Backbone interact. energy: 1.165 local terms energy: -315.948427 where: bonds (distance) C4'-P energy: -58.456 bonds (distance) P-C4' energy: -61.129 flat angles C4'-P-C4' energy: -72.367 flat angles P-C4'-P energy: -38.456 tors. eta vs tors. theta energy: -85.540 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: 5 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1710.353242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.353242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.353242 (E_RNA) where: Base-Base interactions energy: -1259.848 where: short stacking energy: -502.967 Base-Backbone interact. energy: -0.131 local terms energy: -450.374295 where: bonds (distance) C4'-P energy: -77.394 bonds (distance) P-C4' energy: -68.389 flat angles C4'-P-C4' energy: -90.439 flat angles P-C4'-P energy: -65.023 tors. eta vs tors. theta energy: -149.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1600.478777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.478777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.478777 (E_RNA) where: Base-Base interactions energy: -1151.427 where: short stacking energy: -449.623 Base-Backbone interact. energy: -0.690 local terms energy: -448.361760 where: bonds (distance) C4'-P energy: -82.196 bonds (distance) P-C4' energy: -81.860 flat angles C4'-P-C4' energy: -91.949 flat angles P-C4'-P energy: -61.014 tors. eta vs tors. theta energy: -131.343 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: 341 Temperature: 1.000000 Total energy: -1540.604561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.604561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.604561 (E_RNA) where: Base-Base interactions energy: -1110.690 where: short stacking energy: -409.210 Base-Backbone interact. energy: -0.462 local terms energy: -429.452635 where: bonds (distance) C4'-P energy: -77.740 bonds (distance) P-C4' energy: -73.099 flat angles C4'-P-C4' energy: -91.316 flat angles P-C4'-P energy: -63.204 tors. eta vs tors. theta energy: -124.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1508.548841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.548841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.548841 (E_RNA) where: Base-Base interactions energy: -1101.658 where: short stacking energy: -440.899 Base-Backbone interact. energy: 0.421 local terms energy: -407.311410 where: bonds (distance) C4'-P energy: -65.373 bonds (distance) P-C4' energy: -67.505 flat angles C4'-P-C4' energy: -85.587 flat angles P-C4'-P energy: -56.699 tors. eta vs tors. theta energy: -132.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1498.466562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.466562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.466562 (E_RNA) where: Base-Base interactions energy: -1092.317 where: short stacking energy: -421.372 Base-Backbone interact. energy: -2.010 local terms energy: -404.139950 where: bonds (distance) C4'-P energy: -68.581 bonds (distance) P-C4' energy: -60.947 flat angles C4'-P-C4' energy: -84.675 flat angles P-C4'-P energy: -63.319 tors. eta vs tors. theta energy: -126.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1461.579515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.579515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.579515 (E_RNA) where: Base-Base interactions energy: -1065.352 where: short stacking energy: -408.696 Base-Backbone interact. energy: 0.943 local terms energy: -397.170033 where: bonds (distance) C4'-P energy: -53.198 bonds (distance) P-C4' energy: -68.707 flat angles C4'-P-C4' energy: -94.069 flat angles P-C4'-P energy: -60.915 tors. eta vs tors. theta energy: -120.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1333.704222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.704222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.704222 (E_RNA) where: Base-Base interactions energy: -960.715 where: short stacking energy: -380.776 Base-Backbone interact. energy: 0.041 local terms energy: -373.029889 where: bonds (distance) C4'-P energy: -68.034 bonds (distance) P-C4' energy: -59.083 flat angles C4'-P-C4' energy: -85.365 flat angles P-C4'-P energy: -54.879 tors. eta vs tors. theta energy: -105.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1265.114357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.114357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.114357 (E_RNA) where: Base-Base interactions energy: -888.365 where: short stacking energy: -352.934 Base-Backbone interact. energy: -0.748 local terms energy: -376.001622 where: bonds (distance) C4'-P energy: -72.144 bonds (distance) P-C4' energy: -67.726 flat angles C4'-P-C4' energy: -82.621 flat angles P-C4'-P energy: -53.877 tors. eta vs tors. theta energy: -99.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1311.199752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.199752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.199752 (E_RNA) where: Base-Base interactions energy: -958.817 where: short stacking energy: -376.010 Base-Backbone interact. energy: -0.099 local terms energy: -352.284663 where: bonds (distance) C4'-P energy: -65.654 bonds (distance) P-C4' energy: -59.934 flat angles C4'-P-C4' energy: -71.622 flat angles P-C4'-P energy: -49.535 tors. eta vs tors. theta energy: -105.541 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: 8 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1138.492826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.492826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.492826 (E_RNA) where: Base-Base interactions energy: -795.503 where: short stacking energy: -303.502 Base-Backbone interact. energy: -1.885 local terms energy: -341.104770 where: bonds (distance) C4'-P energy: -62.857 bonds (distance) P-C4' energy: -59.570 flat angles C4'-P-C4' energy: -82.271 flat angles P-C4'-P energy: -52.232 tors. eta vs tors. theta energy: -84.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1694.954182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.954182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.954182 (E_RNA) where: Base-Base interactions energy: -1247.145 where: short stacking energy: -488.639 Base-Backbone interact. energy: -0.071 local terms energy: -447.738228 where: bonds (distance) C4'-P energy: -69.023 bonds (distance) P-C4' energy: -65.443 flat angles C4'-P-C4' energy: -97.084 flat angles P-C4'-P energy: -67.663 tors. eta vs tors. theta energy: -148.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1581.055535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.055535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.055535 (E_RNA) where: Base-Base interactions energy: -1159.959 where: short stacking energy: -443.530 Base-Backbone interact. energy: 5.080 local terms energy: -426.176694 where: bonds (distance) C4'-P energy: -67.966 bonds (distance) P-C4' energy: -72.937 flat angles C4'-P-C4' energy: -90.627 flat angles P-C4'-P energy: -68.003 tors. eta vs tors. theta energy: -126.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1519.292145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.292145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.292145 (E_RNA) where: Base-Base interactions energy: -1107.304 where: short stacking energy: -443.152 Base-Backbone interact. energy: -1.160 local terms energy: -410.828040 where: bonds (distance) C4'-P energy: -72.087 bonds (distance) P-C4' energy: -66.038 flat angles C4'-P-C4' energy: -80.840 flat angles P-C4'-P energy: -61.373 tors. eta vs tors. theta energy: -130.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1506.979070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.979070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.979070 (E_RNA) where: Base-Base interactions energy: -1093.948 where: short stacking energy: -412.314 Base-Backbone interact. energy: 0.418 local terms energy: -413.449676 where: bonds (distance) C4'-P energy: -63.805 bonds (distance) P-C4' energy: -75.835 flat angles C4'-P-C4' energy: -89.573 flat angles P-C4'-P energy: -63.416 tors. eta vs tors. theta energy: -120.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1504.068305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.068305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.068305 (E_RNA) where: Base-Base interactions energy: -1091.130 where: short stacking energy: -431.888 Base-Backbone interact. energy: -0.414 local terms energy: -412.524450 where: bonds (distance) C4'-P energy: -69.397 bonds (distance) P-C4' energy: -65.175 flat angles C4'-P-C4' energy: -82.490 flat angles P-C4'-P energy: -64.992 tors. eta vs tors. theta energy: -130.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1482.614598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.614598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.614598 (E_RNA) where: Base-Base interactions energy: -1092.951 where: short stacking energy: -428.438 Base-Backbone interact. energy: -0.178 local terms energy: -389.485739 where: bonds (distance) C4'-P energy: -57.673 bonds (distance) P-C4' energy: -70.845 flat angles C4'-P-C4' energy: -83.913 flat angles P-C4'-P energy: -56.324 tors. eta vs tors. theta energy: -120.729 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: 7 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1277.645746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.645746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.645746 (E_RNA) where: Base-Base interactions energy: -905.776 where: short stacking energy: -352.570 Base-Backbone interact. energy: -0.337 local terms energy: -371.532819 where: bonds (distance) C4'-P energy: -59.401 bonds (distance) P-C4' energy: -64.039 flat angles C4'-P-C4' energy: -81.063 flat angles P-C4'-P energy: -60.797 tors. eta vs tors. theta energy: -106.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1304.082172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.082172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.082172 (E_RNA) where: Base-Base interactions energy: -956.162 where: short stacking energy: -362.117 Base-Backbone interact. energy: 0.977 local terms energy: -348.897731 where: bonds (distance) C4'-P energy: -49.682 bonds (distance) P-C4' energy: -63.265 flat angles C4'-P-C4' energy: -81.307 flat angles P-C4'-P energy: -50.126 tors. eta vs tors. theta energy: -104.517 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: 3 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1286.804872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.804872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.804872 (E_RNA) where: Base-Base interactions energy: -955.970 where: short stacking energy: -352.310 Base-Backbone interact. energy: 2.268 local terms energy: -333.103023 where: bonds (distance) C4'-P energy: -57.589 bonds (distance) P-C4' energy: -55.282 flat angles C4'-P-C4' energy: -75.345 flat angles P-C4'-P energy: -46.215 tors. eta vs tors. theta energy: -98.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1117.815806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.815806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.815806 (E_RNA) where: Base-Base interactions energy: -798.108 where: short stacking energy: -317.548 Base-Backbone interact. energy: 0.482 local terms energy: -320.189167 where: bonds (distance) C4'-P energy: -54.425 bonds (distance) P-C4' energy: -60.913 flat angles C4'-P-C4' energy: -75.075 flat angles P-C4'-P energy: -39.667 tors. eta vs tors. theta energy: -90.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1706.618728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.618728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.618728 (E_RNA) where: Base-Base interactions energy: -1252.856 where: short stacking energy: -485.509 Base-Backbone interact. energy: 1.302 local terms energy: -455.064379 where: bonds (distance) C4'-P energy: -78.418 bonds (distance) P-C4' energy: -71.100 flat angles C4'-P-C4' energy: -89.033 flat angles P-C4'-P energy: -68.144 tors. eta vs tors. theta energy: -148.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1542.904516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.904516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.904516 (E_RNA) where: Base-Base interactions energy: -1089.423 where: short stacking energy: -430.879 Base-Backbone interact. energy: -1.008 local terms energy: -452.473028 where: bonds (distance) C4'-P energy: -80.352 bonds (distance) P-C4' energy: -78.997 flat angles C4'-P-C4' energy: -95.726 flat angles P-C4'-P energy: -68.900 tors. eta vs tors. theta energy: -128.498 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: 6 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1558.179544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.179544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.179544 (E_RNA) where: Base-Base interactions energy: -1128.705 where: short stacking energy: -427.415 Base-Backbone interact. energy: 5.833 local terms energy: -435.307038 where: bonds (distance) C4'-P energy: -79.321 bonds (distance) P-C4' energy: -73.731 flat angles C4'-P-C4' energy: -88.486 flat angles P-C4'-P energy: -68.983 tors. eta vs tors. theta energy: -124.786 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: 2 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1537.623227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.623227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.623227 (E_RNA) where: Base-Base interactions energy: -1143.651 where: short stacking energy: -434.634 Base-Backbone interact. energy: -0.089 local terms energy: -393.882832 where: bonds (distance) C4'-P energy: -59.548 bonds (distance) P-C4' energy: -69.474 flat angles C4'-P-C4' energy: -83.488 flat angles P-C4'-P energy: -51.923 tors. eta vs tors. theta energy: -129.450 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: 9 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1512.405727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.405727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.405727 (E_RNA) where: Base-Base interactions energy: -1111.486 where: short stacking energy: -425.142 Base-Backbone interact. energy: -0.794 local terms energy: -400.125343 where: bonds (distance) C4'-P energy: -79.414 bonds (distance) P-C4' energy: -53.147 flat angles C4'-P-C4' energy: -79.244 flat angles P-C4'-P energy: -62.944 tors. eta vs tors. theta energy: -125.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1468.113299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.113299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.113299 (E_RNA) where: Base-Base interactions energy: -1079.264 where: short stacking energy: -415.662 Base-Backbone interact. energy: -0.263 local terms energy: -388.585995 where: bonds (distance) C4'-P energy: -69.279 bonds (distance) P-C4' energy: -72.516 flat angles C4'-P-C4' energy: -73.042 flat angles P-C4'-P energy: -50.321 tors. eta vs tors. theta energy: -123.428 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: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1301.734017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.734017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.734017 (E_RNA) where: Base-Base interactions energy: -941.912 where: short stacking energy: -353.188 Base-Backbone interact. energy: 1.680 local terms energy: -361.501528 where: bonds (distance) C4'-P energy: -65.852 bonds (distance) P-C4' energy: -63.365 flat angles C4'-P-C4' energy: -66.530 flat angles P-C4'-P energy: -57.623 tors. eta vs tors. theta energy: -108.132 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: 3 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1310.157891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.157891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.157891 (E_RNA) where: Base-Base interactions energy: -945.575 where: short stacking energy: -370.301 Base-Backbone interact. energy: -0.120 local terms energy: -364.462971 where: bonds (distance) C4'-P energy: -69.531 bonds (distance) P-C4' energy: -58.577 flat angles C4'-P-C4' energy: -76.546 flat angles P-C4'-P energy: -49.158 tors. eta vs tors. theta energy: -110.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1265.937459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.937459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.937459 (E_RNA) where: Base-Base interactions energy: -918.561 where: short stacking energy: -353.778 Base-Backbone interact. energy: 0.833 local terms energy: -348.209399 where: bonds (distance) C4'-P energy: -60.483 bonds (distance) P-C4' energy: -65.296 flat angles C4'-P-C4' energy: -74.411 flat angles P-C4'-P energy: -50.043 tors. eta vs tors. theta energy: -97.977 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: 10, replica: 8 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1160.741472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.741472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.741472 (E_RNA) where: Base-Base interactions energy: -849.355 where: short stacking energy: -326.156 Base-Backbone interact. energy: -0.663 local terms energy: -310.723405 where: bonds (distance) C4'-P energy: -49.507 bonds (distance) P-C4' energy: -56.155 flat angles C4'-P-C4' energy: -72.512 flat angles P-C4'-P energy: -39.917 tors. eta vs tors. theta energy: -92.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1698.551128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.551128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.551128 (E_RNA) where: Base-Base interactions energy: -1260.604 where: short stacking energy: -499.345 Base-Backbone interact. energy: 0.662 local terms energy: -438.609781 where: bonds (distance) C4'-P energy: -62.002 bonds (distance) P-C4' energy: -75.826 flat angles C4'-P-C4' energy: -87.086 flat angles P-C4'-P energy: -69.728 tors. eta vs tors. theta energy: -143.968 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: 2, replica: 10 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1538.085324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.085324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.085324 (E_RNA) where: Base-Base interactions energy: -1112.399 where: short stacking energy: -444.844 Base-Backbone interact. energy: -0.333 local terms energy: -425.353545 where: bonds (distance) C4'-P energy: -75.893 bonds (distance) P-C4' energy: -74.868 flat angles C4'-P-C4' energy: -86.620 flat angles P-C4'-P energy: -55.800 tors. eta vs tors. theta energy: -132.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1561.071294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.071294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.071294 (E_RNA) where: Base-Base interactions energy: -1121.140 where: short stacking energy: -440.529 Base-Backbone interact. energy: 0.811 local terms energy: -440.742281 where: bonds (distance) C4'-P energy: -67.840 bonds (distance) P-C4' energy: -80.394 flat angles C4'-P-C4' energy: -90.881 flat angles P-C4'-P energy: -65.485 tors. eta vs tors. theta energy: -136.142 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: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1535.496226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.496226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.496226 (E_RNA) where: Base-Base interactions energy: -1132.544 where: short stacking energy: -432.128 Base-Backbone interact. energy: 1.768 local terms energy: -404.720433 where: bonds (distance) C4'-P energy: -66.393 bonds (distance) P-C4' energy: -68.798 flat angles C4'-P-C4' energy: -85.896 flat angles P-C4'-P energy: -60.887 tors. eta vs tors. theta energy: -122.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1516.996662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.996662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.996662 (E_RNA) where: Base-Base interactions energy: -1125.143 where: short stacking energy: -431.887 Base-Backbone interact. energy: -1.816 local terms energy: -390.037341 where: bonds (distance) C4'-P energy: -71.764 bonds (distance) P-C4' energy: -55.188 flat angles C4'-P-C4' energy: -79.706 flat angles P-C4'-P energy: -64.226 tors. eta vs tors. theta energy: -119.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1455.819069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.819069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.819069 (E_RNA) where: Base-Base interactions energy: -1061.019 where: short stacking energy: -419.629 Base-Backbone interact. energy: -0.334 local terms energy: -394.466232 where: bonds (distance) C4'-P energy: -71.719 bonds (distance) P-C4' energy: -65.174 flat angles C4'-P-C4' energy: -82.142 flat angles P-C4'-P energy: -53.930 tors. eta vs tors. theta energy: -121.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1368.369306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.369306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.369306 (E_RNA) where: Base-Base interactions energy: -974.658 where: short stacking energy: -376.785 Base-Backbone interact. energy: 0.579 local terms energy: -394.290154 where: bonds (distance) C4'-P energy: -71.938 bonds (distance) P-C4' energy: -69.960 flat angles C4'-P-C4' energy: -76.693 flat angles P-C4'-P energy: -55.898 tors. eta vs tors. theta energy: -119.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1285.517940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.517940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.517940 (E_RNA) where: Base-Base interactions energy: -933.396 where: short stacking energy: -350.309 Base-Backbone interact. energy: -0.360 local terms energy: -351.761648 where: bonds (distance) C4'-P energy: -56.059 bonds (distance) P-C4' energy: -68.625 flat angles C4'-P-C4' energy: -81.450 flat angles P-C4'-P energy: -41.157 tors. eta vs tors. theta energy: -104.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1307.155246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.155246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.155246 (E_RNA) where: Base-Base interactions energy: -934.129 where: short stacking energy: -348.629 Base-Backbone interact. energy: 0.026 local terms energy: -373.052174 where: bonds (distance) C4'-P energy: -48.069 bonds (distance) P-C4' energy: -68.116 flat angles C4'-P-C4' energy: -79.627 flat angles P-C4'-P energy: -70.152 tors. eta vs tors. theta energy: -107.088 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: 8 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1173.143085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.143085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.143085 (E_RNA) where: Base-Base interactions energy: -858.697 where: short stacking energy: -326.394 Base-Backbone interact. energy: 2.181 local terms energy: -316.627299 where: bonds (distance) C4'-P energy: -70.106 bonds (distance) P-C4' energy: -37.893 flat angles C4'-P-C4' energy: -74.187 flat angles P-C4'-P energy: -38.496 tors. eta vs tors. theta energy: -95.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1701.105562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.105562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.105562 (E_RNA) where: Base-Base interactions energy: -1244.032 where: short stacking energy: -487.044 Base-Backbone interact. energy: -0.705 local terms energy: -456.368649 where: bonds (distance) C4'-P energy: -71.132 bonds (distance) P-C4' energy: -72.966 flat angles C4'-P-C4' energy: -93.798 flat angles P-C4'-P energy: -69.080 tors. eta vs tors. theta energy: -149.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1550.226912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.226912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.226912 (E_RNA) where: Base-Base interactions energy: -1120.078 where: short stacking energy: -445.665 Base-Backbone interact. energy: 0.633 local terms energy: -430.782060 where: bonds (distance) C4'-P energy: -77.751 bonds (distance) P-C4' energy: -76.034 flat angles C4'-P-C4' energy: -85.343 flat angles P-C4'-P energy: -62.324 tors. eta vs tors. theta energy: -129.330 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: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1556.211626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.211626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.211626 (E_RNA) where: Base-Base interactions energy: -1124.999 where: short stacking energy: -449.536 Base-Backbone interact. energy: -0.437 local terms energy: -430.775294 where: bonds (distance) C4'-P energy: -64.965 bonds (distance) P-C4' energy: -70.276 flat angles C4'-P-C4' energy: -92.746 flat angles P-C4'-P energy: -68.267 tors. eta vs tors. theta energy: -134.521 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: 2 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1536.880111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.880111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.880111 (E_RNA) where: Base-Base interactions energy: -1125.482 where: short stacking energy: -435.992 Base-Backbone interact. energy: -0.065 local terms energy: -411.332738 where: bonds (distance) C4'-P energy: -75.851 bonds (distance) P-C4' energy: -63.031 flat angles C4'-P-C4' energy: -81.339 flat angles P-C4'-P energy: -65.399 tors. eta vs tors. theta energy: -125.713 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: 9 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1505.994876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.994876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.994876 (E_RNA) where: Base-Base interactions energy: -1097.774 where: short stacking energy: -421.525 Base-Backbone interact. energy: -1.924 local terms energy: -406.297111 where: bonds (distance) C4'-P energy: -74.903 bonds (distance) P-C4' energy: -67.306 flat angles C4'-P-C4' energy: -85.979 flat angles P-C4'-P energy: -50.971 tors. eta vs tors. theta energy: -127.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1437.425909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.425909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.425909 (E_RNA) where: Base-Base interactions energy: -1040.077 where: short stacking energy: -393.155 Base-Backbone interact. energy: 1.381 local terms energy: -398.729426 where: bonds (distance) C4'-P energy: -56.946 bonds (distance) P-C4' energy: -76.113 flat angles C4'-P-C4' energy: -82.831 flat angles P-C4'-P energy: -60.585 tors. eta vs tors. theta energy: -122.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1336.765983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.765983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.765983 (E_RNA) where: Base-Base interactions energy: -954.893 where: short stacking energy: -373.827 Base-Backbone interact. energy: -0.002 local terms energy: -381.871309 where: bonds (distance) C4'-P energy: -77.355 bonds (distance) P-C4' energy: -66.444 flat angles C4'-P-C4' energy: -82.478 flat angles P-C4'-P energy: -38.266 tors. eta vs tors. theta energy: -117.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1274.939756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.939756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.939756 (E_RNA) where: Base-Base interactions energy: -901.602 where: short stacking energy: -360.360 Base-Backbone interact. energy: -0.322 local terms energy: -373.015014 where: bonds (distance) C4'-P energy: -55.329 bonds (distance) P-C4' energy: -70.194 flat angles C4'-P-C4' energy: -82.862 flat angles P-C4'-P energy: -57.134 tors. eta vs tors. theta energy: -107.496 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: 4 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1262.288887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.288887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.288887 (E_RNA) where: Base-Base interactions energy: -921.561 where: short stacking energy: -347.558 Base-Backbone interact. energy: -0.767 local terms energy: -339.961030 where: bonds (distance) C4'-P energy: -64.562 bonds (distance) P-C4' energy: -62.684 flat angles C4'-P-C4' energy: -68.111 flat angles P-C4'-P energy: -46.227 tors. eta vs tors. theta energy: -98.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1144.180223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.180223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.180223 (E_RNA) where: Base-Base interactions energy: -828.472 where: short stacking energy: -328.930 Base-Backbone interact. energy: -0.001 local terms energy: -315.706366 where: bonds (distance) C4'-P energy: -63.076 bonds (distance) P-C4' energy: -57.756 flat angles C4'-P-C4' energy: -68.397 flat angles P-C4'-P energy: -41.469 tors. eta vs tors. theta energy: -85.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1716.585317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.585317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.585317 (E_RNA) where: Base-Base interactions energy: -1246.886 where: short stacking energy: -492.338 Base-Backbone interact. energy: -0.295 local terms energy: -469.404184 where: bonds (distance) C4'-P energy: -74.007 bonds (distance) P-C4' energy: -73.506 flat angles C4'-P-C4' energy: -95.030 flat angles P-C4'-P energy: -74.615 tors. eta vs tors. theta energy: -152.247 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: 10 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1564.899965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.899965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.899965 (E_RNA) where: Base-Base interactions energy: -1118.323 where: short stacking energy: -455.198 Base-Backbone interact. energy: -0.362 local terms energy: -446.215480 where: bonds (distance) C4'-P energy: -74.076 bonds (distance) P-C4' energy: -77.868 flat angles C4'-P-C4' energy: -93.124 flat angles P-C4'-P energy: -61.426 tors. eta vs tors. theta energy: -139.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1546.308462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.308462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.308462 (E_RNA) where: Base-Base interactions energy: -1123.950 where: short stacking energy: -440.457 Base-Backbone interact. energy: 2.805 local terms energy: -425.164070 where: bonds (distance) C4'-P energy: -75.552 bonds (distance) P-C4' energy: -75.420 flat angles C4'-P-C4' energy: -87.214 flat angles P-C4'-P energy: -58.849 tors. eta vs tors. theta energy: -128.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1529.324443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.324443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.324443 (E_RNA) where: Base-Base interactions energy: -1130.216 where: short stacking energy: -438.071 Base-Backbone interact. energy: 1.895 local terms energy: -401.002981 where: bonds (distance) C4'-P energy: -59.441 bonds (distance) P-C4' energy: -63.138 flat angles C4'-P-C4' energy: -87.377 flat angles P-C4'-P energy: -57.114 tors. eta vs tors. theta energy: -133.932 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: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1501.949467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.949467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.949467 (E_RNA) where: Base-Base interactions energy: -1107.379 where: short stacking energy: -405.210 Base-Backbone interact. energy: -2.200 local terms energy: -392.370328 where: bonds (distance) C4'-P energy: -65.612 bonds (distance) P-C4' energy: -70.087 flat angles C4'-P-C4' energy: -79.406 flat angles P-C4'-P energy: -51.346 tors. eta vs tors. theta energy: -125.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1424.970909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.970909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.970909 (E_RNA) where: Base-Base interactions energy: -1029.895 where: short stacking energy: -402.108 Base-Backbone interact. energy: -0.776 local terms energy: -394.299765 where: bonds (distance) C4'-P energy: -65.450 bonds (distance) P-C4' energy: -73.254 flat angles C4'-P-C4' energy: -84.743 flat angles P-C4'-P energy: -51.506 tors. eta vs tors. theta energy: -119.346 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: 3 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1339.068220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.068220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.068220 (E_RNA) where: Base-Base interactions energy: -966.724 where: short stacking energy: -389.420 Base-Backbone interact. energy: 0.286 local terms energy: -372.629663 where: bonds (distance) C4'-P energy: -65.654 bonds (distance) P-C4' energy: -65.144 flat angles C4'-P-C4' energy: -75.880 flat angles P-C4'-P energy: -50.625 tors. eta vs tors. theta energy: -115.326 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: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1263.505729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.505729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.505729 (E_RNA) where: Base-Base interactions energy: -891.010 where: short stacking energy: -348.968 Base-Backbone interact. energy: -1.652 local terms energy: -370.844216 where: bonds (distance) C4'-P energy: -59.895 bonds (distance) P-C4' energy: -71.029 flat angles C4'-P-C4' energy: -76.076 flat angles P-C4'-P energy: -61.439 tors. eta vs tors. theta energy: -102.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1285.083702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.083702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.083702 (E_RNA) where: Base-Base interactions energy: -948.026 where: short stacking energy: -373.413 Base-Backbone interact. energy: 0.537 local terms energy: -337.594693 where: bonds (distance) C4'-P energy: -61.605 bonds (distance) P-C4' energy: -55.323 flat angles C4'-P-C4' energy: -79.607 flat angles P-C4'-P energy: -37.277 tors. eta vs tors. theta energy: -103.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1117.012983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.012983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.012983 (E_RNA) where: Base-Base interactions energy: -779.035 where: short stacking energy: -316.558 Base-Backbone interact. energy: -1.269 local terms energy: -336.709790 where: bonds (distance) C4'-P energy: -63.914 bonds (distance) P-C4' energy: -62.270 flat angles C4'-P-C4' energy: -73.030 flat angles P-C4'-P energy: -44.793 tors. eta vs tors. theta energy: -92.704 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: 5 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1699.344529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.344529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.344529 (E_RNA) where: Base-Base interactions energy: -1252.427 where: short stacking energy: -494.221 Base-Backbone interact. energy: -0.544 local terms energy: -446.373676 where: bonds (distance) C4'-P energy: -72.904 bonds (distance) P-C4' energy: -80.751 flat angles C4'-P-C4' energy: -87.391 flat angles P-C4'-P energy: -60.127 tors. eta vs tors. theta energy: -145.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1575.324144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.324144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.324144 (E_RNA) where: Base-Base interactions energy: -1127.314 where: short stacking energy: -459.070 Base-Backbone interact. energy: -3.196 local terms energy: -444.813732 where: bonds (distance) C4'-P energy: -76.585 bonds (distance) P-C4' energy: -71.834 flat angles C4'-P-C4' energy: -99.499 flat angles P-C4'-P energy: -64.387 tors. eta vs tors. theta energy: -132.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1581.470949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.470949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.470949 (E_RNA) where: Base-Base interactions energy: -1128.835 where: short stacking energy: -436.957 Base-Backbone interact. energy: -2.281 local terms energy: -450.355392 where: bonds (distance) C4'-P energy: -82.211 bonds (distance) P-C4' energy: -80.010 flat angles C4'-P-C4' energy: -93.537 flat angles P-C4'-P energy: -64.241 tors. eta vs tors. theta energy: -130.357 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: 6 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1542.567853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.567853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.567853 (E_RNA) where: Base-Base interactions energy: -1134.449 where: short stacking energy: -447.967 Base-Backbone interact. energy: -0.421 local terms energy: -407.697754 where: bonds (distance) C4'-P energy: -68.562 bonds (distance) P-C4' energy: -69.203 flat angles C4'-P-C4' energy: -80.171 flat angles P-C4'-P energy: -63.494 tors. eta vs tors. theta energy: -126.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1478.927560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.927560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.927560 (E_RNA) where: Base-Base interactions energy: -1077.608 where: short stacking energy: -410.023 Base-Backbone interact. energy: -1.571 local terms energy: -399.749100 where: bonds (distance) C4'-P energy: -62.390 bonds (distance) P-C4' energy: -70.961 flat angles C4'-P-C4' energy: -79.057 flat angles P-C4'-P energy: -63.195 tors. eta vs tors. theta energy: -124.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1434.958946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.958946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.958946 (E_RNA) where: Base-Base interactions energy: -1042.040 where: short stacking energy: -399.640 Base-Backbone interact. energy: -0.160 local terms energy: -392.759880 where: bonds (distance) C4'-P energy: -57.250 bonds (distance) P-C4' energy: -65.240 flat angles C4'-P-C4' energy: -88.572 flat angles P-C4'-P energy: -59.739 tors. eta vs tors. theta energy: -121.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1347.824670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.824670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.824670 (E_RNA) where: Base-Base interactions energy: -966.328 where: short stacking energy: -387.064 Base-Backbone interact. energy: -0.384 local terms energy: -381.112729 where: bonds (distance) C4'-P energy: -66.780 bonds (distance) P-C4' energy: -57.691 flat angles C4'-P-C4' energy: -83.510 flat angles P-C4'-P energy: -53.504 tors. eta vs tors. theta energy: -119.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1283.599497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.599497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.599497 (E_RNA) where: Base-Base interactions energy: -925.431 where: short stacking energy: -350.271 Base-Backbone interact. energy: 2.459 local terms energy: -360.627723 where: bonds (distance) C4'-P energy: -74.272 bonds (distance) P-C4' energy: -56.695 flat angles C4'-P-C4' energy: -80.332 flat angles P-C4'-P energy: -53.465 tors. eta vs tors. theta energy: -95.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1278.649293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.649293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.649293 (E_RNA) where: Base-Base interactions energy: -934.195 where: short stacking energy: -360.714 Base-Backbone interact. energy: -0.800 local terms energy: -343.654533 where: bonds (distance) C4'-P energy: -72.240 bonds (distance) P-C4' energy: -51.960 flat angles C4'-P-C4' energy: -75.367 flat angles P-C4'-P energy: -37.029 tors. eta vs tors. theta energy: -107.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1108.148876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.148876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.148876 (E_RNA) where: Base-Base interactions energy: -807.833 where: short stacking energy: -299.796 Base-Backbone interact. energy: 1.714 local terms energy: -302.029517 where: bonds (distance) C4'-P energy: -50.045 bonds (distance) P-C4' energy: -57.135 flat angles C4'-P-C4' energy: -65.496 flat angles P-C4'-P energy: -48.387 tors. eta vs tors. theta energy: -80.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1699.225294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.225294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.225294 (E_RNA) where: Base-Base interactions energy: -1245.530 where: short stacking energy: -484.718 Base-Backbone interact. energy: 0.046 local terms energy: -453.741653 where: bonds (distance) C4'-P energy: -67.218 bonds (distance) P-C4' energy: -81.719 flat angles C4'-P-C4' energy: -89.124 flat angles P-C4'-P energy: -65.693 tors. eta vs tors. theta energy: -149.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1550.529220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.529220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.529220 (E_RNA) where: Base-Base interactions energy: -1112.445 where: short stacking energy: -457.439 Base-Backbone interact. energy: -0.063 local terms energy: -438.020526 where: bonds (distance) C4'-P energy: -78.755 bonds (distance) P-C4' energy: -75.276 flat angles C4'-P-C4' energy: -89.247 flat angles P-C4'-P energy: -64.439 tors. eta vs tors. theta energy: -130.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1555.281958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.281958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.281958 (E_RNA) where: Base-Base interactions energy: -1140.010 where: short stacking energy: -444.886 Base-Backbone interact. energy: -0.261 local terms energy: -415.011255 where: bonds (distance) C4'-P energy: -67.443 bonds (distance) P-C4' energy: -70.194 flat angles C4'-P-C4' energy: -85.683 flat angles P-C4'-P energy: -59.824 tors. eta vs tors. theta energy: -131.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1555.533226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.533226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.533226 (E_RNA) where: Base-Base interactions energy: -1129.845 where: short stacking energy: -434.206 Base-Backbone interact. energy: 0.435 local terms energy: -426.122882 where: bonds (distance) C4'-P energy: -65.582 bonds (distance) P-C4' energy: -74.119 flat angles C4'-P-C4' energy: -88.045 flat angles P-C4'-P energy: -63.225 tors. eta vs tors. theta energy: -135.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1474.308901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.308901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.308901 (E_RNA) where: Base-Base interactions energy: -1091.605 where: short stacking energy: -413.929 Base-Backbone interact. energy: 0.794 local terms energy: -383.498092 where: bonds (distance) C4'-P energy: -59.659 bonds (distance) P-C4' energy: -71.601 flat angles C4'-P-C4' energy: -78.530 flat angles P-C4'-P energy: -54.100 tors. eta vs tors. theta energy: -119.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1444.726052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.726052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.726052 (E_RNA) where: Base-Base interactions energy: -1042.734 where: short stacking energy: -397.096 Base-Backbone interact. energy: -0.176 local terms energy: -401.815806 where: bonds (distance) C4'-P energy: -68.877 bonds (distance) P-C4' energy: -75.212 flat angles C4'-P-C4' energy: -83.315 flat angles P-C4'-P energy: -56.808 tors. eta vs tors. theta energy: -117.605 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: 7 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1325.623554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.623554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.623554 (E_RNA) where: Base-Base interactions energy: -965.331 where: short stacking energy: -368.853 Base-Backbone interact. energy: 2.667 local terms energy: -362.959225 where: bonds (distance) C4'-P energy: -60.300 bonds (distance) P-C4' energy: -72.216 flat angles C4'-P-C4' energy: -70.730 flat angles P-C4'-P energy: -51.292 tors. eta vs tors. theta energy: -108.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1303.481536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.481536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.481536 (E_RNA) where: Base-Base interactions energy: -938.819 where: short stacking energy: -367.042 Base-Backbone interact. energy: 0.049 local terms energy: -364.711153 where: bonds (distance) C4'-P energy: -64.013 bonds (distance) P-C4' energy: -64.906 flat angles C4'-P-C4' energy: -73.284 flat angles P-C4'-P energy: -50.471 tors. eta vs tors. theta energy: -112.037 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: 348 Temperature: 1.300000 Total energy: -1247.398082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.398082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.398082 (E_RNA) where: Base-Base interactions energy: -893.913 where: short stacking energy: -342.835 Base-Backbone interact. energy: 0.337 local terms energy: -353.822693 where: bonds (distance) C4'-P energy: -55.169 bonds (distance) P-C4' energy: -72.726 flat angles C4'-P-C4' energy: -66.945 flat angles P-C4'-P energy: -49.537 tors. eta vs tors. theta energy: -109.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1117.049099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.049099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.049099 (E_RNA) where: Base-Base interactions energy: -811.737 where: short stacking energy: -318.460 Base-Backbone interact. energy: -1.189 local terms energy: -304.123402 where: bonds (distance) C4'-P energy: -65.567 bonds (distance) P-C4' energy: -51.197 flat angles C4'-P-C4' energy: -63.432 flat angles P-C4'-P energy: -48.172 tors. eta vs tors. theta energy: -75.754 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: 5 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1705.020401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.020401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.020401 (E_RNA) where: Base-Base interactions energy: -1248.946 where: short stacking energy: -489.930 Base-Backbone interact. energy: 0.842 local terms energy: -456.916706 where: bonds (distance) C4'-P energy: -69.759 bonds (distance) P-C4' energy: -76.936 flat angles C4'-P-C4' energy: -90.605 flat angles P-C4'-P energy: -70.359 tors. eta vs tors. theta energy: -149.257 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: 2 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1581.389038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.389038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.389038 (E_RNA) where: Base-Base interactions energy: -1135.852 where: short stacking energy: -451.918 Base-Backbone interact. energy: -1.238 local terms energy: -444.299059 where: bonds (distance) C4'-P energy: -74.303 bonds (distance) P-C4' energy: -69.692 flat angles C4'-P-C4' energy: -98.004 flat angles P-C4'-P energy: -65.131 tors. eta vs tors. theta energy: -137.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1530.887090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.887090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.887090 (E_RNA) where: Base-Base interactions energy: -1107.335 where: short stacking energy: -443.395 Base-Backbone interact. energy: 0.395 local terms energy: -423.946728 where: bonds (distance) C4'-P energy: -64.005 bonds (distance) P-C4' energy: -75.056 flat angles C4'-P-C4' energy: -89.571 flat angles P-C4'-P energy: -62.653 tors. eta vs tors. theta energy: -132.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1550.428768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.428768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.428768 (E_RNA) where: Base-Base interactions energy: -1128.208 where: short stacking energy: -423.721 Base-Backbone interact. energy: -1.080 local terms energy: -421.140508 where: bonds (distance) C4'-P energy: -79.349 bonds (distance) P-C4' energy: -71.170 flat angles C4'-P-C4' energy: -85.689 flat angles P-C4'-P energy: -55.226 tors. eta vs tors. theta energy: -129.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1506.915437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.915437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.915437 (E_RNA) where: Base-Base interactions energy: -1114.126 where: short stacking energy: -409.997 Base-Backbone interact. energy: 1.453 local terms energy: -394.242586 where: bonds (distance) C4'-P energy: -62.494 bonds (distance) P-C4' energy: -77.136 flat angles C4'-P-C4' energy: -82.332 flat angles P-C4'-P energy: -52.033 tors. eta vs tors. theta energy: -120.247 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: 6, replica: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1436.207561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.207561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.207561 (E_RNA) where: Base-Base interactions energy: -1043.613 where: short stacking energy: -417.403 Base-Backbone interact. energy: -0.518 local terms energy: -392.076987 where: bonds (distance) C4'-P energy: -65.776 bonds (distance) P-C4' energy: -71.359 flat angles C4'-P-C4' energy: -82.793 flat angles P-C4'-P energy: -51.696 tors. eta vs tors. theta energy: -120.454 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: 7 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1364.823848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.823848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.823848 (E_RNA) where: Base-Base interactions energy: -985.916 where: short stacking energy: -381.815 Base-Backbone interact. energy: -0.120 local terms energy: -378.787880 where: bonds (distance) C4'-P energy: -49.450 bonds (distance) P-C4' energy: -74.374 flat angles C4'-P-C4' energy: -86.293 flat angles P-C4'-P energy: -56.094 tors. eta vs tors. theta energy: -112.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1290.039007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.039007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.039007 (E_RNA) where: Base-Base interactions energy: -939.056 where: short stacking energy: -364.300 Base-Backbone interact. energy: 0.716 local terms energy: -351.698754 where: bonds (distance) C4'-P energy: -61.678 bonds (distance) P-C4' energy: -55.232 flat angles C4'-P-C4' energy: -76.826 flat angles P-C4'-P energy: -51.071 tors. eta vs tors. theta energy: -106.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1274.744871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.744871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.744871 (E_RNA) where: Base-Base interactions energy: -918.717 where: short stacking energy: -350.099 Base-Backbone interact. energy: 0.012 local terms energy: -356.039583 where: bonds (distance) C4'-P energy: -63.335 bonds (distance) P-C4' energy: -72.713 flat angles C4'-P-C4' energy: -72.760 flat angles P-C4'-P energy: -45.695 tors. eta vs tors. theta energy: -101.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -1154.579949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.579949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.579949 (E_RNA) where: Base-Base interactions energy: -826.301 where: short stacking energy: -331.677 Base-Backbone interact. energy: 3.979 local terms energy: -332.257332 where: bonds (distance) C4'-P energy: -53.002 bonds (distance) P-C4' energy: -53.140 flat angles C4'-P-C4' energy: -82.377 flat angles P-C4'-P energy: -49.491 tors. eta vs tors. theta energy: -94.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1695.686566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.686566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.686566 (E_RNA) where: Base-Base interactions energy: -1244.142 where: short stacking energy: -489.581 Base-Backbone interact. energy: -0.085 local terms energy: -451.459997 where: bonds (distance) C4'-P energy: -82.071 bonds (distance) P-C4' energy: -66.357 flat angles C4'-P-C4' energy: -93.707 flat angles P-C4'-P energy: -66.752 tors. eta vs tors. theta energy: -142.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1592.182976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.182976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.182976 (E_RNA) where: Base-Base interactions energy: -1153.617 where: short stacking energy: -458.002 Base-Backbone interact. energy: 0.324 local terms energy: -438.889525 where: bonds (distance) C4'-P energy: -64.107 bonds (distance) P-C4' energy: -85.374 flat angles C4'-P-C4' energy: -86.482 flat angles P-C4'-P energy: -68.550 tors. eta vs tors. theta energy: -134.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1564.368282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.368282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.368282 (E_RNA) where: Base-Base interactions energy: -1138.261 where: short stacking energy: -435.511 Base-Backbone interact. energy: 0.231 local terms energy: -426.338276 where: bonds (distance) C4'-P energy: -81.520 bonds (distance) P-C4' energy: -70.475 flat angles C4'-P-C4' energy: -88.587 flat angles P-C4'-P energy: -59.081 tors. eta vs tors. theta energy: -126.674 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: 350 Temperature: 1.050000 Total energy: -1496.687153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.687153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.687153 (E_RNA) where: Base-Base interactions energy: -1084.923 where: short stacking energy: -434.980 Base-Backbone interact. energy: -0.668 local terms energy: -411.096773 where: bonds (distance) C4'-P energy: -65.454 bonds (distance) P-C4' energy: -78.105 flat angles C4'-P-C4' energy: -87.848 flat angles P-C4'-P energy: -60.098 tors. eta vs tors. theta energy: -119.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1454.065363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.065363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.065363 (E_RNA) where: Base-Base interactions energy: -1062.810 where: short stacking energy: -396.668 Base-Backbone interact. energy: -0.847 local terms energy: -390.408491 where: bonds (distance) C4'-P energy: -69.648 bonds (distance) P-C4' energy: -64.633 flat angles C4'-P-C4' energy: -79.550 flat angles P-C4'-P energy: -57.945 tors. eta vs tors. theta energy: -118.632 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: 6, replica: 9 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1460.294781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.294781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.294781 (E_RNA) where: Base-Base interactions energy: -1070.286 where: short stacking energy: -400.374 Base-Backbone interact. energy: -1.097 local terms energy: -388.912500 where: bonds (distance) C4'-P energy: -63.564 bonds (distance) P-C4' energy: -75.129 flat angles C4'-P-C4' energy: -80.848 flat angles P-C4'-P energy: -49.451 tors. eta vs tors. theta energy: -119.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1336.148024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.148024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.148024 (E_RNA) where: Base-Base interactions energy: -960.225 where: short stacking energy: -362.634 Base-Backbone interact. energy: -1.428 local terms energy: -374.494581 where: bonds (distance) C4'-P energy: -62.252 bonds (distance) P-C4' energy: -80.537 flat angles C4'-P-C4' energy: -76.477 flat angles P-C4'-P energy: -54.198 tors. eta vs tors. theta energy: -101.030 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: 3 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1339.715451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.715451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.715451 (E_RNA) where: Base-Base interactions energy: -958.144 where: short stacking energy: -375.827 Base-Backbone interact. energy: -0.270 local terms energy: -381.301207 where: bonds (distance) C4'-P energy: -73.572 bonds (distance) P-C4' energy: -54.821 flat angles C4'-P-C4' energy: -76.355 flat angles P-C4'-P energy: -67.724 tors. eta vs tors. theta energy: -108.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1260.603928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.603928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.603928 (E_RNA) where: Base-Base interactions energy: -912.282 where: short stacking energy: -363.270 Base-Backbone interact. energy: -0.696 local terms energy: -347.625783 where: bonds (distance) C4'-P energy: -62.122 bonds (distance) P-C4' energy: -62.468 flat angles C4'-P-C4' energy: -72.455 flat angles P-C4'-P energy: -43.685 tors. eta vs tors. theta energy: -106.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1130.082213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.082213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.082213 (E_RNA) where: Base-Base interactions energy: -838.606 where: short stacking energy: -330.878 Base-Backbone interact. energy: 0.123 local terms energy: -291.599165 where: bonds (distance) C4'-P energy: -44.996 bonds (distance) P-C4' energy: -49.576 flat angles C4'-P-C4' energy: -74.286 flat angles P-C4'-P energy: -41.688 tors. eta vs tors. theta energy: -81.053 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: 351 Temperature: 0.900000 Total energy: -1705.557717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.557717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.557717 (E_RNA) where: Base-Base interactions energy: -1255.398 where: short stacking energy: -484.937 Base-Backbone interact. energy: -0.271 local terms energy: -449.889508 where: bonds (distance) C4'-P energy: -73.745 bonds (distance) P-C4' energy: -76.197 flat angles C4'-P-C4' energy: -87.665 flat angles P-C4'-P energy: -64.128 tors. eta vs tors. theta energy: -148.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1585.197873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.197873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.197873 (E_RNA) where: Base-Base interactions energy: -1148.970 where: short stacking energy: -446.812 Base-Backbone interact. energy: -1.765 local terms energy: -434.462489 where: bonds (distance) C4'-P energy: -70.903 bonds (distance) P-C4' energy: -76.617 flat angles C4'-P-C4' energy: -90.954 flat angles P-C4'-P energy: -62.714 tors. eta vs tors. theta energy: -133.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1569.947278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.947278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.947278 (E_RNA) where: Base-Base interactions energy: -1132.170 where: short stacking energy: -450.242 Base-Backbone interact. energy: -0.693 local terms energy: -437.083473 where: bonds (distance) C4'-P energy: -81.243 bonds (distance) P-C4' energy: -76.688 flat angles C4'-P-C4' energy: -85.736 flat angles P-C4'-P energy: -65.554 tors. eta vs tors. theta energy: -127.863 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: 10 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1513.873676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.873676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.873676 (E_RNA) where: Base-Base interactions energy: -1098.789 where: short stacking energy: -428.459 Base-Backbone interact. energy: -2.036 local terms energy: -413.048613 where: bonds (distance) C4'-P energy: -61.126 bonds (distance) P-C4' energy: -71.906 flat angles C4'-P-C4' energy: -95.173 flat angles P-C4'-P energy: -55.992 tors. eta vs tors. theta energy: -128.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1448.697838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.697838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.697838 (E_RNA) where: Base-Base interactions energy: -1041.064 where: short stacking energy: -402.935 Base-Backbone interact. energy: -1.543 local terms energy: -406.090725 where: bonds (distance) C4'-P energy: -74.500 bonds (distance) P-C4' energy: -70.357 flat angles C4'-P-C4' energy: -85.400 flat angles P-C4'-P energy: -58.450 tors. eta vs tors. theta energy: -117.384 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: 9 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1463.320300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.320300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.320300 (E_RNA) where: Base-Base interactions energy: -1081.511 where: short stacking energy: -401.316 Base-Backbone interact. energy: 0.310 local terms energy: -382.119290 where: bonds (distance) C4'-P energy: -74.396 bonds (distance) P-C4' energy: -61.507 flat angles C4'-P-C4' energy: -80.081 flat angles P-C4'-P energy: -57.370 tors. eta vs tors. theta energy: -108.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1339.297206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.297206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.297206 (E_RNA) where: Base-Base interactions energy: -954.836 where: short stacking energy: -381.439 Base-Backbone interact. energy: 1.650 local terms energy: -386.110854 where: bonds (distance) C4'-P energy: -67.687 bonds (distance) P-C4' energy: -68.977 flat angles C4'-P-C4' energy: -84.635 flat angles P-C4'-P energy: -48.661 tors. eta vs tors. theta energy: -116.151 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: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1294.136765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.136765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.136765 (E_RNA) where: Base-Base interactions energy: -949.151 where: short stacking energy: -356.949 Base-Backbone interact. energy: -0.782 local terms energy: -344.203552 where: bonds (distance) C4'-P energy: -56.816 bonds (distance) P-C4' energy: -58.302 flat angles C4'-P-C4' energy: -83.659 flat angles P-C4'-P energy: -45.974 tors. eta vs tors. theta energy: -99.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1296.297811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.297811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.297811 (E_RNA) where: Base-Base interactions energy: -926.459 where: short stacking energy: -360.785 Base-Backbone interact. energy: -0.502 local terms energy: -369.336603 where: bonds (distance) C4'-P energy: -57.894 bonds (distance) P-C4' energy: -54.818 flat angles C4'-P-C4' energy: -79.506 flat angles P-C4'-P energy: -58.686 tors. eta vs tors. theta energy: -118.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -1167.932173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.932173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.932173 (E_RNA) where: Base-Base interactions energy: -861.194 where: short stacking energy: -338.981 Base-Backbone interact. energy: -0.230 local terms energy: -306.508179 where: bonds (distance) C4'-P energy: -56.784 bonds (distance) P-C4' energy: -36.634 flat angles C4'-P-C4' energy: -68.025 flat angles P-C4'-P energy: -57.813 tors. eta vs tors. theta energy: -87.252 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: 5 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1702.591024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.591024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.591024 (E_RNA) where: Base-Base interactions energy: -1242.683 where: short stacking energy: -473.719 Base-Backbone interact. energy: 1.451 local terms energy: -461.359334 where: bonds (distance) C4'-P energy: -76.992 bonds (distance) P-C4' energy: -77.854 flat angles C4'-P-C4' energy: -89.110 flat angles P-C4'-P energy: -70.672 tors. eta vs tors. theta energy: -146.732 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: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1601.376087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.376087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.376087 (E_RNA) where: Base-Base interactions energy: -1163.435 where: short stacking energy: -460.392 Base-Backbone interact. energy: -0.837 local terms energy: -437.104476 where: bonds (distance) C4'-P energy: -68.148 bonds (distance) P-C4' energy: -75.841 flat angles C4'-P-C4' energy: -93.859 flat angles P-C4'-P energy: -60.726 tors. eta vs tors. theta energy: -138.531 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: 3, replica: 6 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1562.854029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.854029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.854029 (E_RNA) where: Base-Base interactions energy: -1132.891 where: short stacking energy: -437.438 Base-Backbone interact. energy: 1.726 local terms energy: -431.688994 where: bonds (distance) C4'-P energy: -79.384 bonds (distance) P-C4' energy: -71.801 flat angles C4'-P-C4' energy: -89.869 flat angles P-C4'-P energy: -60.035 tors. eta vs tors. theta energy: -130.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1504.969727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.969727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.969727 (E_RNA) where: Base-Base interactions energy: -1087.890 where: short stacking energy: -418.340 Base-Backbone interact. energy: -1.853 local terms energy: -415.226648 where: bonds (distance) C4'-P energy: -72.175 bonds (distance) P-C4' energy: -67.094 flat angles C4'-P-C4' energy: -86.227 flat angles P-C4'-P energy: -64.168 tors. eta vs tors. theta energy: -125.563 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: 1 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1447.889779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.889779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.889779 (E_RNA) where: Base-Base interactions energy: -1068.334 where: short stacking energy: -423.825 Base-Backbone interact. energy: -0.384 local terms energy: -379.171921 where: bonds (distance) C4'-P energy: -66.008 bonds (distance) P-C4' energy: -69.056 flat angles C4'-P-C4' energy: -81.234 flat angles P-C4'-P energy: -47.668 tors. eta vs tors. theta energy: -115.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1409.574109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.574109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.574109 (E_RNA) where: Base-Base interactions energy: -1032.865 where: short stacking energy: -392.838 Base-Backbone interact. energy: 3.512 local terms energy: -380.220853 where: bonds (distance) C4'-P energy: -58.142 bonds (distance) P-C4' energy: -76.537 flat angles C4'-P-C4' energy: -90.643 flat angles P-C4'-P energy: -48.460 tors. eta vs tors. theta energy: -106.439 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: 7 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1339.329167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.329167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.329167 (E_RNA) where: Base-Base interactions energy: -954.944 where: short stacking energy: -360.576 Base-Backbone interact. energy: -1.403 local terms energy: -382.982454 where: bonds (distance) C4'-P energy: -75.489 bonds (distance) P-C4' energy: -65.356 flat angles C4'-P-C4' energy: -78.309 flat angles P-C4'-P energy: -60.208 tors. eta vs tors. theta energy: -103.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1278.736425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.736425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.736425 (E_RNA) where: Base-Base interactions energy: -911.798 where: short stacking energy: -357.448 Base-Backbone interact. energy: -0.307 local terms energy: -366.631856 where: bonds (distance) C4'-P energy: -69.941 bonds (distance) P-C4' energy: -61.269 flat angles C4'-P-C4' energy: -72.050 flat angles P-C4'-P energy: -49.731 tors. eta vs tors. theta energy: -113.640 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: 3 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1306.855565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.855565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.855565 (E_RNA) where: Base-Base interactions energy: -961.727 where: short stacking energy: -371.949 Base-Backbone interact. energy: -0.084 local terms energy: -345.044256 where: bonds (distance) C4'-P energy: -44.134 bonds (distance) P-C4' energy: -65.052 flat angles C4'-P-C4' energy: -78.944 flat angles P-C4'-P energy: -42.489 tors. eta vs tors. theta energy: -114.425 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: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1139.549114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.549114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.549114 (E_RNA) where: Base-Base interactions energy: -802.315 where: short stacking energy: -305.218 Base-Backbone interact. energy: -0.834 local terms energy: -336.400854 where: bonds (distance) C4'-P energy: -66.645 bonds (distance) P-C4' energy: -70.349 flat angles C4'-P-C4' energy: -77.918 flat angles P-C4'-P energy: -42.970 tors. eta vs tors. theta energy: -78.519 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: 5 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1698.698503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.698503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.698503 (E_RNA) where: Base-Base interactions energy: -1245.536 where: short stacking energy: -485.572 Base-Backbone interact. energy: 0.620 local terms energy: -453.783272 where: bonds (distance) C4'-P energy: -73.385 bonds (distance) P-C4' energy: -70.709 flat angles C4'-P-C4' energy: -89.962 flat angles P-C4'-P energy: -69.877 tors. eta vs tors. theta energy: -149.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1589.141224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.141224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.141224 (E_RNA) where: Base-Base interactions energy: -1150.707 where: short stacking energy: -452.260 Base-Backbone interact. energy: -1.581 local terms energy: -436.853250 where: bonds (distance) C4'-P energy: -76.392 bonds (distance) P-C4' energy: -76.638 flat angles C4'-P-C4' energy: -83.237 flat angles P-C4'-P energy: -65.791 tors. eta vs tors. theta energy: -134.795 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: 6 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1560.965558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.965558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.965558 (E_RNA) where: Base-Base interactions energy: -1132.166 where: short stacking energy: -436.780 Base-Backbone interact. energy: -0.622 local terms energy: -428.177791 where: bonds (distance) C4'-P energy: -69.225 bonds (distance) P-C4' energy: -74.902 flat angles C4'-P-C4' energy: -85.574 flat angles P-C4'-P energy: -65.676 tors. eta vs tors. theta energy: -132.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1497.001749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.001749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.001749 (E_RNA) where: Base-Base interactions energy: -1087.914 where: short stacking energy: -435.993 Base-Backbone interact. energy: -0.627 local terms energy: -408.460918 where: bonds (distance) C4'-P energy: -73.781 bonds (distance) P-C4' energy: -69.315 flat angles C4'-P-C4' energy: -81.472 flat angles P-C4'-P energy: -57.807 tors. eta vs tors. theta energy: -126.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1466.156510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.156510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.156510 (E_RNA) where: Base-Base interactions energy: -1058.549 where: short stacking energy: -417.141 Base-Backbone interact. energy: -0.559 local terms energy: -407.049296 where: bonds (distance) C4'-P energy: -69.506 bonds (distance) P-C4' energy: -70.357 flat angles C4'-P-C4' energy: -85.252 flat angles P-C4'-P energy: -56.422 tors. eta vs tors. theta energy: -125.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1428.452046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.452046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.452046 (E_RNA) where: Base-Base interactions energy: -1057.232 where: short stacking energy: -397.360 Base-Backbone interact. energy: -1.174 local terms energy: -370.046615 where: bonds (distance) C4'-P energy: -59.391 bonds (distance) P-C4' energy: -58.034 flat angles C4'-P-C4' energy: -81.485 flat angles P-C4'-P energy: -59.195 tors. eta vs tors. theta energy: -111.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1357.734450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.734450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.734450 (E_RNA) where: Base-Base interactions energy: -993.182 where: short stacking energy: -366.307 Base-Backbone interact. energy: -2.157 local terms energy: -362.395774 where: bonds (distance) C4'-P energy: -57.726 bonds (distance) P-C4' energy: -62.630 flat angles C4'-P-C4' energy: -77.120 flat angles P-C4'-P energy: -55.471 tors. eta vs tors. theta energy: -109.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1328.912446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.912446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.912446 (E_RNA) where: Base-Base interactions energy: -970.415 where: short stacking energy: -379.282 Base-Backbone interact. energy: -0.230 local terms energy: -358.267874 where: bonds (distance) C4'-P energy: -44.715 bonds (distance) P-C4' energy: -77.224 flat angles C4'-P-C4' energy: -75.255 flat angles P-C4'-P energy: -53.048 tors. eta vs tors. theta energy: -108.026 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: 4 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1250.113381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.113381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.113381 (E_RNA) where: Base-Base interactions energy: -899.141 where: short stacking energy: -338.229 Base-Backbone interact. energy: -0.105 local terms energy: -350.867895 where: bonds (distance) C4'-P energy: -62.660 bonds (distance) P-C4' energy: -60.959 flat angles C4'-P-C4' energy: -81.864 flat angles P-C4'-P energy: -51.475 tors. eta vs tors. theta energy: -93.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1142.722141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.722141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.722141 (E_RNA) where: Base-Base interactions energy: -818.463 where: short stacking energy: -315.002 Base-Backbone interact. energy: -0.563 local terms energy: -323.696824 where: bonds (distance) C4'-P energy: -59.020 bonds (distance) P-C4' energy: -55.810 flat angles C4'-P-C4' energy: -72.826 flat angles P-C4'-P energy: -53.345 tors. eta vs tors. theta energy: -82.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1703.249147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.249147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.249147 (E_RNA) where: Base-Base interactions energy: -1251.473 where: short stacking energy: -483.571 Base-Backbone interact. energy: -0.046 local terms energy: -451.730193 where: bonds (distance) C4'-P energy: -72.613 bonds (distance) P-C4' energy: -68.146 flat angles C4'-P-C4' energy: -92.626 flat angles P-C4'-P energy: -69.462 tors. eta vs tors. theta energy: -148.883 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: 2 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1584.582703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.582703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.582703 (E_RNA) where: Base-Base interactions energy: -1144.553 where: short stacking energy: -458.321 Base-Backbone interact. energy: -1.430 local terms energy: -438.599798 where: bonds (distance) C4'-P energy: -78.589 bonds (distance) P-C4' energy: -74.203 flat angles C4'-P-C4' energy: -88.647 flat angles P-C4'-P energy: -57.079 tors. eta vs tors. theta energy: -140.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1554.909942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.909942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.909942 (E_RNA) where: Base-Base interactions energy: -1152.566 where: short stacking energy: -439.212 Base-Backbone interact. energy: -1.421 local terms energy: -400.922207 where: bonds (distance) C4'-P energy: -66.917 bonds (distance) P-C4' energy: -62.692 flat angles C4'-P-C4' energy: -87.998 flat angles P-C4'-P energy: -55.531 tors. eta vs tors. theta energy: -127.784 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: 10 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1499.295420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.295420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.295420 (E_RNA) where: Base-Base interactions energy: -1088.653 where: short stacking energy: -425.361 Base-Backbone interact. energy: -1.058 local terms energy: -409.584202 where: bonds (distance) C4'-P energy: -77.279 bonds (distance) P-C4' energy: -63.009 flat angles C4'-P-C4' energy: -86.686 flat angles P-C4'-P energy: -53.718 tors. eta vs tors. theta energy: -128.892 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: 1 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1457.673011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.673011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.673011 (E_RNA) where: Base-Base interactions energy: -1054.480 where: short stacking energy: -419.952 Base-Backbone interact. energy: -0.386 local terms energy: -402.806523 where: bonds (distance) C4'-P energy: -69.213 bonds (distance) P-C4' energy: -70.959 flat angles C4'-P-C4' energy: -86.264 flat angles P-C4'-P energy: -50.157 tors. eta vs tors. theta energy: -126.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1421.924935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.924935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.924935 (E_RNA) where: Base-Base interactions energy: -1026.787 where: short stacking energy: -403.990 Base-Backbone interact. energy: -1.434 local terms energy: -393.703347 where: bonds (distance) C4'-P energy: -64.107 bonds (distance) P-C4' energy: -62.341 flat angles C4'-P-C4' energy: -85.248 flat angles P-C4'-P energy: -65.533 tors. eta vs tors. theta energy: -116.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1389.402048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.402048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.402048 (E_RNA) where: Base-Base interactions energy: -1002.692 where: short stacking energy: -382.632 Base-Backbone interact. energy: -1.524 local terms energy: -385.186721 where: bonds (distance) C4'-P energy: -74.227 bonds (distance) P-C4' energy: -57.444 flat angles C4'-P-C4' energy: -83.366 flat angles P-C4'-P energy: -59.815 tors. eta vs tors. theta energy: -110.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1303.172975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.172975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.172975 (E_RNA) where: Base-Base interactions energy: -933.745 where: short stacking energy: -366.756 Base-Backbone interact. energy: -0.299 local terms energy: -369.128433 where: bonds (distance) C4'-P energy: -63.579 bonds (distance) P-C4' energy: -74.195 flat angles C4'-P-C4' energy: -80.308 flat angles P-C4'-P energy: -51.840 tors. eta vs tors. theta energy: -99.207 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: 9, replica: 4 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1279.611648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.611648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.611648 (E_RNA) where: Base-Base interactions energy: -926.706 where: short stacking energy: -358.982 Base-Backbone interact. energy: -0.333 local terms energy: -352.572767 where: bonds (distance) C4'-P energy: -62.546 bonds (distance) P-C4' energy: -58.846 flat angles C4'-P-C4' energy: -73.189 flat angles P-C4'-P energy: -52.655 tors. eta vs tors. theta energy: -105.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1125.288549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.288549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.288549 (E_RNA) where: Base-Base interactions energy: -808.893 where: short stacking energy: -323.784 Base-Backbone interact. energy: -0.090 local terms energy: -316.304962 where: bonds (distance) C4'-P energy: -51.458 bonds (distance) P-C4' energy: -65.464 flat angles C4'-P-C4' energy: -64.964 flat angles P-C4'-P energy: -41.658 tors. eta vs tors. theta energy: -92.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1722.945574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.945574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.945574 (E_RNA) where: Base-Base interactions energy: -1263.460 where: short stacking energy: -491.891 Base-Backbone interact. energy: -0.318 local terms energy: -459.167688 where: bonds (distance) C4'-P energy: -77.412 bonds (distance) P-C4' energy: -65.932 flat angles C4'-P-C4' energy: -90.596 flat angles P-C4'-P energy: -74.709 tors. eta vs tors. theta energy: -150.518 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: 355 Temperature: 0.950000 Total energy: -1599.251832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.251832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.251832 (E_RNA) where: Base-Base interactions energy: -1154.758 where: short stacking energy: -466.747 Base-Backbone interact. energy: 0.568 local terms energy: -445.061745 where: bonds (distance) C4'-P energy: -78.814 bonds (distance) P-C4' energy: -63.703 flat angles C4'-P-C4' energy: -95.264 flat angles P-C4'-P energy: -66.848 tors. eta vs tors. theta energy: -140.433 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: 3, replica: 6 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1545.036262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.036262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.036262 (E_RNA) where: Base-Base interactions energy: -1140.780 where: short stacking energy: -435.918 Base-Backbone interact. energy: 1.659 local terms energy: -405.914660 where: bonds (distance) C4'-P energy: -64.419 bonds (distance) P-C4' energy: -73.380 flat angles C4'-P-C4' energy: -82.910 flat angles P-C4'-P energy: -60.022 tors. eta vs tors. theta energy: -125.183 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: 1 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1509.671568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.671568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.671568 (E_RNA) where: Base-Base interactions energy: -1114.162 where: short stacking energy: -424.420 Base-Backbone interact. energy: -1.435 local terms energy: -394.074686 where: bonds (distance) C4'-P energy: -60.564 bonds (distance) P-C4' energy: -68.434 flat angles C4'-P-C4' energy: -81.159 flat angles P-C4'-P energy: -60.334 tors. eta vs tors. theta energy: -123.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1464.907934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.907934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.907934 (E_RNA) where: Base-Base interactions energy: -1076.006 where: short stacking energy: -428.011 Base-Backbone interact. energy: 0.089 local terms energy: -388.990923 where: bonds (distance) C4'-P energy: -50.727 bonds (distance) P-C4' energy: -63.895 flat angles C4'-P-C4' energy: -79.903 flat angles P-C4'-P energy: -66.271 tors. eta vs tors. theta energy: -128.195 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: 6, replica: 9 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1409.219087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.219087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.219087 (E_RNA) where: Base-Base interactions energy: -1032.496 where: short stacking energy: -398.398 Base-Backbone interact. energy: 0.005 local terms energy: -376.728200 where: bonds (distance) C4'-P energy: -68.069 bonds (distance) P-C4' energy: -68.961 flat angles C4'-P-C4' energy: -82.091 flat angles P-C4'-P energy: -42.284 tors. eta vs tors. theta energy: -115.322 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: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1334.486583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.486583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.486583 (E_RNA) where: Base-Base interactions energy: -983.219 where: short stacking energy: -383.837 Base-Backbone interact. energy: -0.265 local terms energy: -351.002915 where: bonds (distance) C4'-P energy: -59.979 bonds (distance) P-C4' energy: -59.616 flat angles C4'-P-C4' energy: -83.730 flat angles P-C4'-P energy: -44.431 tors. eta vs tors. theta energy: -103.247 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: 8, replica: 3 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1303.650990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.650990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.650990 (E_RNA) where: Base-Base interactions energy: -951.169 where: short stacking energy: -375.458 Base-Backbone interact. energy: -0.888 local terms energy: -351.594635 where: bonds (distance) C4'-P energy: -47.445 bonds (distance) P-C4' energy: -43.334 flat angles C4'-P-C4' energy: -80.871 flat angles P-C4'-P energy: -69.757 tors. eta vs tors. theta energy: -110.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1302.029136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.029136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.029136 (E_RNA) where: Base-Base interactions energy: -943.297 where: short stacking energy: -371.915 Base-Backbone interact. energy: 1.068 local terms energy: -359.799355 where: bonds (distance) C4'-P energy: -76.470 bonds (distance) P-C4' energy: -57.633 flat angles C4'-P-C4' energy: -84.560 flat angles P-C4'-P energy: -31.470 tors. eta vs tors. theta energy: -109.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1088.708618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.708618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.708618 (E_RNA) where: Base-Base interactions energy: -750.603 where: short stacking energy: -312.046 Base-Backbone interact. energy: 1.095 local terms energy: -339.200170 where: bonds (distance) C4'-P energy: -70.555 bonds (distance) P-C4' energy: -58.063 flat angles C4'-P-C4' energy: -71.961 flat angles P-C4'-P energy: -50.100 tors. eta vs tors. theta energy: -88.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1704.727698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.727698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.727698 (E_RNA) where: Base-Base interactions energy: -1242.788 where: short stacking energy: -485.487 Base-Backbone interact. energy: -0.012 local terms energy: -461.927697 where: bonds (distance) C4'-P energy: -75.823 bonds (distance) P-C4' energy: -74.603 flat angles C4'-P-C4' energy: -96.164 flat angles P-C4'-P energy: -66.762 tors. eta vs tors. theta energy: -148.576 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: 2, replica: 2 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1588.329900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.329900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.329900 (E_RNA) where: Base-Base interactions energy: -1149.899 where: short stacking energy: -457.407 Base-Backbone interact. energy: -0.061 local terms energy: -438.370662 where: bonds (distance) C4'-P energy: -65.183 bonds (distance) P-C4' energy: -85.546 flat angles C4'-P-C4' energy: -90.190 flat angles P-C4'-P energy: -61.582 tors. eta vs tors. theta energy: -135.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1554.021183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.021183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.021183 (E_RNA) where: Base-Base interactions energy: -1131.506 where: short stacking energy: -432.712 Base-Backbone interact. energy: -0.728 local terms energy: -421.786651 where: bonds (distance) C4'-P energy: -66.215 bonds (distance) P-C4' energy: -70.227 flat angles C4'-P-C4' energy: -90.249 flat angles P-C4'-P energy: -66.076 tors. eta vs tors. theta energy: -129.019 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: 1 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1490.367479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.367479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.367479 (E_RNA) where: Base-Base interactions energy: -1071.720 where: short stacking energy: -427.318 Base-Backbone interact. energy: -0.467 local terms energy: -418.180859 where: bonds (distance) C4'-P energy: -70.232 bonds (distance) P-C4' energy: -68.789 flat angles C4'-P-C4' energy: -91.292 flat angles P-C4'-P energy: -58.815 tors. eta vs tors. theta energy: -129.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1490.707285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.707285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.707285 (E_RNA) where: Base-Base interactions energy: -1071.873 where: short stacking energy: -435.983 Base-Backbone interact. energy: -1.267 local terms energy: -417.566847 where: bonds (distance) C4'-P energy: -67.945 bonds (distance) P-C4' energy: -80.437 flat angles C4'-P-C4' energy: -81.532 flat angles P-C4'-P energy: -55.040 tors. eta vs tors. theta energy: -132.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1417.439242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.439242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.439242 (E_RNA) where: Base-Base interactions energy: -1036.587 where: short stacking energy: -414.626 Base-Backbone interact. energy: 0.519 local terms energy: -381.370683 where: bonds (distance) C4'-P energy: -53.584 bonds (distance) P-C4' energy: -73.703 flat angles C4'-P-C4' energy: -78.963 flat angles P-C4'-P energy: -54.302 tors. eta vs tors. theta energy: -120.819 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: 7 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1352.635807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.635807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.635807 (E_RNA) where: Base-Base interactions energy: -981.625 where: short stacking energy: -364.718 Base-Backbone interact. energy: -0.388 local terms energy: -370.623064 where: bonds (distance) C4'-P energy: -60.221 bonds (distance) P-C4' energy: -74.219 flat angles C4'-P-C4' energy: -72.362 flat angles P-C4'-P energy: -57.550 tors. eta vs tors. theta energy: -106.271 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: 3 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1340.130561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.130561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.130561 (E_RNA) where: Base-Base interactions energy: -963.021 where: short stacking energy: -386.796 Base-Backbone interact. energy: 2.407 local terms energy: -379.516416 where: bonds (distance) C4'-P energy: -61.491 bonds (distance) P-C4' energy: -69.863 flat angles C4'-P-C4' energy: -82.668 flat angles P-C4'-P energy: -54.173 tors. eta vs tors. theta energy: -111.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1296.876669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.876669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.876669 (E_RNA) where: Base-Base interactions energy: -945.139 where: short stacking energy: -359.446 Base-Backbone interact. energy: -0.677 local terms energy: -351.061330 where: bonds (distance) C4'-P energy: -64.208 bonds (distance) P-C4' energy: -60.974 flat angles C4'-P-C4' energy: -77.713 flat angles P-C4'-P energy: -40.743 tors. eta vs tors. theta energy: -107.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1143.233133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.233133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.233133 (E_RNA) where: Base-Base interactions energy: -819.567 where: short stacking energy: -314.177 Base-Backbone interact. energy: 0.407 local terms energy: -324.073356 where: bonds (distance) C4'-P energy: -68.684 bonds (distance) P-C4' energy: -42.095 flat angles C4'-P-C4' energy: -77.122 flat angles P-C4'-P energy: -50.786 tors. eta vs tors. theta energy: -85.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1711.075238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.075238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.075238 (E_RNA) where: Base-Base interactions energy: -1244.873 where: short stacking energy: -489.175 Base-Backbone interact. energy: 0.419 local terms energy: -466.621939 where: bonds (distance) C4'-P energy: -79.373 bonds (distance) P-C4' energy: -79.355 flat angles C4'-P-C4' energy: -82.923 flat angles P-C4'-P energy: -72.622 tors. eta vs tors. theta energy: -152.350 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: 2 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1593.958856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.958856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.958856 (E_RNA) where: Base-Base interactions energy: -1159.496 where: short stacking energy: -457.848 Base-Backbone interact. energy: -0.190 local terms energy: -434.272425 where: bonds (distance) C4'-P energy: -71.530 bonds (distance) P-C4' energy: -72.478 flat angles C4'-P-C4' energy: -87.277 flat angles P-C4'-P energy: -68.911 tors. eta vs tors. theta energy: -134.076 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: 357 Temperature: 1.000000 Total energy: -1559.191159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.191159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.191159 (E_RNA) where: Base-Base interactions energy: -1148.404 where: short stacking energy: -445.385 Base-Backbone interact. energy: -0.298 local terms energy: -410.489333 where: bonds (distance) C4'-P energy: -62.199 bonds (distance) P-C4' energy: -73.826 flat angles C4'-P-C4' energy: -87.622 flat angles P-C4'-P energy: -54.351 tors. eta vs tors. theta energy: -132.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1499.128950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.128950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.128950 (E_RNA) where: Base-Base interactions energy: -1083.349 where: short stacking energy: -434.457 Base-Backbone interact. energy: -0.382 local terms energy: -415.398368 where: bonds (distance) C4'-P energy: -75.886 bonds (distance) P-C4' energy: -68.606 flat angles C4'-P-C4' energy: -79.847 flat angles P-C4'-P energy: -67.509 tors. eta vs tors. theta energy: -123.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1449.598199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.598199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.598199 (E_RNA) where: Base-Base interactions energy: -1053.534 where: short stacking energy: -410.334 Base-Backbone interact. energy: -0.782 local terms energy: -395.282292 where: bonds (distance) C4'-P energy: -73.906 bonds (distance) P-C4' energy: -66.283 flat angles C4'-P-C4' energy: -81.820 flat angles P-C4'-P energy: -48.619 tors. eta vs tors. theta energy: -124.654 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: 9 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1416.396591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.396591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.396591 (E_RNA) where: Base-Base interactions energy: -1009.338 where: short stacking energy: -384.647 Base-Backbone interact. energy: -1.537 local terms energy: -405.522289 where: bonds (distance) C4'-P energy: -70.288 bonds (distance) P-C4' energy: -80.667 flat angles C4'-P-C4' energy: -81.126 flat angles P-C4'-P energy: -55.596 tors. eta vs tors. theta energy: -117.847 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: 7 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1354.268222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.268222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.268222 (E_RNA) where: Base-Base interactions energy: -971.146 where: short stacking energy: -369.632 Base-Backbone interact. energy: -0.963 local terms energy: -382.158383 where: bonds (distance) C4'-P energy: -54.515 bonds (distance) P-C4' energy: -75.205 flat angles C4'-P-C4' energy: -86.817 flat angles P-C4'-P energy: -55.935 tors. eta vs tors. theta energy: -109.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1315.040103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.040103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.040103 (E_RNA) where: Base-Base interactions energy: -949.012 where: short stacking energy: -374.112 Base-Backbone interact. energy: -1.537 local terms energy: -364.491295 where: bonds (distance) C4'-P energy: -54.641 bonds (distance) P-C4' energy: -69.539 flat angles C4'-P-C4' energy: -82.730 flat angles P-C4'-P energy: -47.670 tors. eta vs tors. theta energy: -109.910 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: 4 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1303.911315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.911315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.911315 (E_RNA) where: Base-Base interactions energy: -952.388 where: short stacking energy: -361.509 Base-Backbone interact. energy: -1.732 local terms energy: -349.791602 where: bonds (distance) C4'-P energy: -54.257 bonds (distance) P-C4' energy: -62.941 flat angles C4'-P-C4' energy: -70.512 flat angles P-C4'-P energy: -49.751 tors. eta vs tors. theta energy: -112.330 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: 10, replica: 8 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -1109.717180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.717180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.717180 (E_RNA) where: Base-Base interactions energy: -788.570 where: short stacking energy: -315.443 Base-Backbone interact. energy: -0.892 local terms energy: -320.255114 where: bonds (distance) C4'-P energy: -58.713 bonds (distance) P-C4' energy: -63.453 flat angles C4'-P-C4' energy: -66.675 flat angles P-C4'-P energy: -46.839 tors. eta vs tors. theta energy: -84.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1703.742946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.742946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.742946 (E_RNA) where: Base-Base interactions energy: -1244.004 where: short stacking energy: -478.187 Base-Backbone interact. energy: -0.444 local terms energy: -459.295415 where: bonds (distance) C4'-P energy: -84.108 bonds (distance) P-C4' energy: -74.902 flat angles C4'-P-C4' energy: -88.787 flat angles P-C4'-P energy: -64.785 tors. eta vs tors. theta energy: -146.713 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: 2, replica: 2 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1584.027258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.027258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.027258 (E_RNA) where: Base-Base interactions energy: -1145.009 where: short stacking energy: -453.943 Base-Backbone interact. energy: 0.168 local terms energy: -439.186134 where: bonds (distance) C4'-P energy: -71.204 bonds (distance) P-C4' energy: -75.764 flat angles C4'-P-C4' energy: -87.703 flat angles P-C4'-P energy: -67.169 tors. eta vs tors. theta energy: -137.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1555.361013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.361013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.361013 (E_RNA) where: Base-Base interactions energy: -1146.193 where: short stacking energy: -432.615 Base-Backbone interact. energy: 5.315 local terms energy: -414.483375 where: bonds (distance) C4'-P energy: -78.718 bonds (distance) P-C4' energy: -73.157 flat angles C4'-P-C4' energy: -78.321 flat angles P-C4'-P energy: -53.931 tors. eta vs tors. theta energy: -130.357 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: 1 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1511.786670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.786670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.786670 (E_RNA) where: Base-Base interactions energy: -1086.270 where: short stacking energy: -431.795 Base-Backbone interact. energy: -0.363 local terms energy: -425.153807 where: bonds (distance) C4'-P energy: -72.537 bonds (distance) P-C4' energy: -64.555 flat angles C4'-P-C4' energy: -90.969 flat angles P-C4'-P energy: -67.441 tors. eta vs tors. theta energy: -129.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1482.675568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.675568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.675568 (E_RNA) where: Base-Base interactions energy: -1063.063 where: short stacking energy: -414.646 Base-Backbone interact. energy: -0.112 local terms energy: -419.501091 where: bonds (distance) C4'-P energy: -73.002 bonds (distance) P-C4' energy: -68.551 flat angles C4'-P-C4' energy: -88.980 flat angles P-C4'-P energy: -64.309 tors. eta vs tors. theta energy: -124.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1406.151137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.151137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.151137 (E_RNA) where: Base-Base interactions energy: -1025.693 where: short stacking energy: -403.746 Base-Backbone interact. energy: 0.531 local terms energy: -380.988512 where: bonds (distance) C4'-P energy: -61.434 bonds (distance) P-C4' energy: -65.403 flat angles C4'-P-C4' energy: -86.610 flat angles P-C4'-P energy: -51.434 tors. eta vs tors. theta energy: -116.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1372.643914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.643914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.643914 (E_RNA) where: Base-Base interactions energy: -1019.860 where: short stacking energy: -392.329 Base-Backbone interact. energy: -0.491 local terms energy: -352.292125 where: bonds (distance) C4'-P energy: -54.420 bonds (distance) P-C4' energy: -64.224 flat angles C4'-P-C4' energy: -71.994 flat angles P-C4'-P energy: -47.140 tors. eta vs tors. theta energy: -114.514 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: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1291.624656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.624656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.624656 (E_RNA) where: Base-Base interactions energy: -926.714 where: short stacking energy: -362.415 Base-Backbone interact. energy: 1.919 local terms energy: -366.829881 where: bonds (distance) C4'-P energy: -57.538 bonds (distance) P-C4' energy: -75.516 flat angles C4'-P-C4' energy: -71.223 flat angles P-C4'-P energy: -56.841 tors. eta vs tors. theta energy: -105.712 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: 4 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1300.592138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.592138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.592138 (E_RNA) where: Base-Base interactions energy: -949.942 where: short stacking energy: -353.685 Base-Backbone interact. energy: -0.763 local terms energy: -349.887507 where: bonds (distance) C4'-P energy: -55.022 bonds (distance) P-C4' energy: -61.200 flat angles C4'-P-C4' energy: -81.727 flat angles P-C4'-P energy: -46.072 tors. eta vs tors. theta energy: -105.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1119.764404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.764404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.764404 (E_RNA) where: Base-Base interactions energy: -813.013 where: short stacking energy: -321.484 Base-Backbone interact. energy: -0.095 local terms energy: -306.656989 where: bonds (distance) C4'-P energy: -55.787 bonds (distance) P-C4' energy: -54.938 flat angles C4'-P-C4' energy: -62.849 flat angles P-C4'-P energy: -42.907 tors. eta vs tors. theta energy: -90.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1704.449630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.449630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.449630 (E_RNA) where: Base-Base interactions energy: -1253.966 where: short stacking energy: -493.483 Base-Backbone interact. energy: -0.230 local terms energy: -450.253815 where: bonds (distance) C4'-P energy: -77.826 bonds (distance) P-C4' energy: -64.486 flat angles C4'-P-C4' energy: -91.662 flat angles P-C4'-P energy: -66.198 tors. eta vs tors. theta energy: -150.081 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: 2 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1594.266845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.266845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.266845 (E_RNA) where: Base-Base interactions energy: -1139.504 where: short stacking energy: -458.096 Base-Backbone interact. energy: -0.780 local terms energy: -453.982262 where: bonds (distance) C4'-P energy: -79.353 bonds (distance) P-C4' energy: -83.507 flat angles C4'-P-C4' energy: -94.374 flat angles P-C4'-P energy: -59.201 tors. eta vs tors. theta energy: -137.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1555.253491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.253491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.253491 (E_RNA) where: Base-Base interactions energy: -1148.241 where: short stacking energy: -448.811 Base-Backbone interact. energy: 5.414 local terms energy: -412.425944 where: bonds (distance) C4'-P energy: -70.544 bonds (distance) P-C4' energy: -64.560 flat angles C4'-P-C4' energy: -89.586 flat angles P-C4'-P energy: -58.096 tors. eta vs tors. theta energy: -129.641 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: 359 Temperature: 1.050000 Total energy: -1535.808824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.808824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.808824 (E_RNA) where: Base-Base interactions energy: -1111.715 where: short stacking energy: -437.825 Base-Backbone interact. energy: -1.368 local terms energy: -422.725700 where: bonds (distance) C4'-P energy: -69.713 bonds (distance) P-C4' energy: -70.356 flat angles C4'-P-C4' energy: -87.806 flat angles P-C4'-P energy: -69.967 tors. eta vs tors. theta energy: -124.883 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: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1460.488897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.488897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.488897 (E_RNA) where: Base-Base interactions energy: -1051.316 where: short stacking energy: -431.315 Base-Backbone interact. energy: -1.005 local terms energy: -408.167488 where: bonds (distance) C4'-P energy: -61.137 bonds (distance) P-C4' energy: -80.391 flat angles C4'-P-C4' energy: -82.237 flat angles P-C4'-P energy: -63.329 tors. eta vs tors. theta energy: -121.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1411.544567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.544567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.544567 (E_RNA) where: Base-Base interactions energy: -1027.178 where: short stacking energy: -390.030 Base-Backbone interact. energy: -0.422 local terms energy: -383.944808 where: bonds (distance) C4'-P energy: -57.135 bonds (distance) P-C4' energy: -65.435 flat angles C4'-P-C4' energy: -85.532 flat angles P-C4'-P energy: -56.194 tors. eta vs tors. theta energy: -119.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1373.693900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.693900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.693900 (E_RNA) where: Base-Base interactions energy: -993.619 where: short stacking energy: -383.078 Base-Backbone interact. energy: -0.982 local terms energy: -379.092831 where: bonds (distance) C4'-P energy: -69.751 bonds (distance) P-C4' energy: -60.127 flat angles C4'-P-C4' energy: -75.524 flat angles P-C4'-P energy: -54.248 tors. eta vs tors. theta energy: -119.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1394.579789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.579789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.579789 (E_RNA) where: Base-Base interactions energy: -1026.449 where: short stacking energy: -391.917 Base-Backbone interact. energy: -2.333 local terms energy: -365.797690 where: bonds (distance) C4'-P energy: -53.353 bonds (distance) P-C4' energy: -48.300 flat angles C4'-P-C4' energy: -87.562 flat angles P-C4'-P energy: -53.292 tors. eta vs tors. theta energy: -123.290 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: 3 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1262.066528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.066528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.066528 (E_RNA) where: Base-Base interactions energy: -912.163 where: short stacking energy: -350.011 Base-Backbone interact. energy: -1.810 local terms energy: -348.094220 where: bonds (distance) C4'-P energy: -73.949 bonds (distance) P-C4' energy: -60.112 flat angles C4'-P-C4' energy: -65.231 flat angles P-C4'-P energy: -46.949 tors. eta vs tors. theta energy: -101.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1129.768431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.768431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.768431 (E_RNA) where: Base-Base interactions energy: -814.612 where: short stacking energy: -326.317 Base-Backbone interact. energy: -0.262 local terms energy: -314.894437 where: bonds (distance) C4'-P energy: -57.376 bonds (distance) P-C4' energy: -56.027 flat angles C4'-P-C4' energy: -66.530 flat angles P-C4'-P energy: -49.050 tors. eta vs tors. theta energy: -85.912 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: 5 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1708.532572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.532572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.532572 (E_RNA) where: Base-Base interactions energy: -1254.827 where: short stacking energy: -496.147 Base-Backbone interact. energy: 0.506 local terms energy: -454.211559 where: bonds (distance) C4'-P energy: -73.381 bonds (distance) P-C4' energy: -70.893 flat angles C4'-P-C4' energy: -94.247 flat angles P-C4'-P energy: -66.018 tors. eta vs tors. theta energy: -149.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1586.955218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.955218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.955218 (E_RNA) where: Base-Base interactions energy: -1146.144 where: short stacking energy: -443.794 Base-Backbone interact. energy: -0.650 local terms energy: -440.160386 where: bonds (distance) C4'-P energy: -83.537 bonds (distance) P-C4' energy: -77.646 flat angles C4'-P-C4' energy: -88.860 flat angles P-C4'-P energy: -54.031 tors. eta vs tors. theta energy: -136.087 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: 1 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1537.952499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.952499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.952499 (E_RNA) where: Base-Base interactions energy: -1117.268 where: short stacking energy: -435.908 Base-Backbone interact. energy: -0.429 local terms energy: -420.255224 where: bonds (distance) C4'-P energy: -68.677 bonds (distance) P-C4' energy: -79.887 flat angles C4'-P-C4' energy: -85.151 flat angles P-C4'-P energy: -52.486 tors. eta vs tors. theta energy: -134.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1544.215260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.215260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.215260 (E_RNA) where: Base-Base interactions energy: -1130.622 where: short stacking energy: -433.047 Base-Backbone interact. energy: 1.415 local terms energy: -415.008831 where: bonds (distance) C4'-P energy: -55.299 bonds (distance) P-C4' energy: -83.858 flat angles C4'-P-C4' energy: -89.496 flat angles P-C4'-P energy: -57.094 tors. eta vs tors. theta energy: -129.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1469.968467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.968467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.968467 (E_RNA) where: Base-Base interactions energy: -1072.084 where: short stacking energy: -421.200 Base-Backbone interact. energy: -0.182 local terms energy: -397.702128 where: bonds (distance) C4'-P energy: -65.990 bonds (distance) P-C4' energy: -63.749 flat angles C4'-P-C4' energy: -83.624 flat angles P-C4'-P energy: -57.823 tors. eta vs tors. theta energy: -126.516 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: 9 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1413.431793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.431793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.431793 (E_RNA) where: Base-Base interactions energy: -1030.408 where: short stacking energy: -401.103 Base-Backbone interact. energy: 1.199 local terms energy: -384.222377 where: bonds (distance) C4'-P energy: -63.934 bonds (distance) P-C4' energy: -71.499 flat angles C4'-P-C4' energy: -80.187 flat angles P-C4'-P energy: -53.899 tors. eta vs tors. theta energy: -114.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1385.950025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.950025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.950025 (E_RNA) where: Base-Base interactions energy: -1004.224 where: short stacking energy: -379.057 Base-Backbone interact. energy: -1.241 local terms energy: -380.485304 where: bonds (distance) C4'-P energy: -67.987 bonds (distance) P-C4' energy: -63.695 flat angles C4'-P-C4' energy: -79.855 flat angles P-C4'-P energy: -59.835 tors. eta vs tors. theta energy: -109.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1330.485006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.485006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.485006 (E_RNA) where: Base-Base interactions energy: -968.033 where: short stacking energy: -357.600 Base-Backbone interact. energy: -1.099 local terms energy: -361.353384 where: bonds (distance) C4'-P energy: -58.384 bonds (distance) P-C4' energy: -62.323 flat angles C4'-P-C4' energy: -83.082 flat angles P-C4'-P energy: -53.552 tors. eta vs tors. theta energy: -104.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1288.909374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.909374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.909374 (E_RNA) where: Base-Base interactions energy: -912.215 where: short stacking energy: -360.675 Base-Backbone interact. energy: 1.151 local terms energy: -377.845938 where: bonds (distance) C4'-P energy: -70.423 bonds (distance) P-C4' energy: -76.291 flat angles C4'-P-C4' energy: -79.066 flat angles P-C4'-P energy: -43.399 tors. eta vs tors. theta energy: -108.667 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: 8 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1199.946817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.946817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.946817 (E_RNA) where: Base-Base interactions energy: -876.018 where: short stacking energy: -341.369 Base-Backbone interact. energy: -0.847 local terms energy: -323.081319 where: bonds (distance) C4'-P energy: -49.290 bonds (distance) P-C4' energy: -45.771 flat angles C4'-P-C4' energy: -82.037 flat angles P-C4'-P energy: -47.268 tors. eta vs tors. theta energy: -98.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1722.909746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.909746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.909746 (E_RNA) where: Base-Base interactions energy: -1258.718 where: short stacking energy: -500.877 Base-Backbone interact. energy: -0.194 local terms energy: -463.997561 where: bonds (distance) C4'-P energy: -73.388 bonds (distance) P-C4' energy: -84.898 flat angles C4'-P-C4' energy: -95.111 flat angles P-C4'-P energy: -61.585 tors. eta vs tors. theta energy: -149.015 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: 2, replica: 2 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1584.138684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.138684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.138684 (E_RNA) where: Base-Base interactions energy: -1147.690 where: short stacking energy: -444.528 Base-Backbone interact. energy: -0.148 local terms energy: -436.301166 where: bonds (distance) C4'-P energy: -78.380 bonds (distance) P-C4' energy: -70.533 flat angles C4'-P-C4' energy: -93.921 flat angles P-C4'-P energy: -63.852 tors. eta vs tors. theta energy: -129.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1565.666489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.666489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.666489 (E_RNA) where: Base-Base interactions energy: -1142.769 where: short stacking energy: -441.430 Base-Backbone interact. energy: 0.355 local terms energy: -423.252374 where: bonds (distance) C4'-P energy: -75.045 bonds (distance) P-C4' energy: -74.349 flat angles C4'-P-C4' energy: -85.194 flat angles P-C4'-P energy: -59.157 tors. eta vs tors. theta energy: -129.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1549.919907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.919907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.919907 (E_RNA) where: Base-Base interactions energy: -1133.219 where: short stacking energy: -420.382 Base-Backbone interact. energy: 6.701 local terms energy: -423.402009 where: bonds (distance) C4'-P energy: -71.668 bonds (distance) P-C4' energy: -76.051 flat angles C4'-P-C4' energy: -85.665 flat angles P-C4'-P energy: -59.802 tors. eta vs tors. theta energy: -130.215 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: 10 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1481.977133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.977133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.977133 (E_RNA) where: Base-Base interactions energy: -1077.784 where: short stacking energy: -424.247 Base-Backbone interact. energy: 0.256 local terms energy: -404.448847 where: bonds (distance) C4'-P energy: -61.662 bonds (distance) P-C4' energy: -77.100 flat angles C4'-P-C4' energy: -81.556 flat angles P-C4'-P energy: -56.473 tors. eta vs tors. theta energy: -127.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1426.853625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.853625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.853625 (E_RNA) where: Base-Base interactions energy: -1032.862 where: short stacking energy: -406.489 Base-Backbone interact. energy: -0.991 local terms energy: -393.000537 where: bonds (distance) C4'-P energy: -65.645 bonds (distance) P-C4' energy: -66.676 flat angles C4'-P-C4' energy: -84.776 flat angles P-C4'-P energy: -56.215 tors. eta vs tors. theta energy: -119.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1387.186146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.186146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.186146 (E_RNA) where: Base-Base interactions energy: -1029.856 where: short stacking energy: -393.878 Base-Backbone interact. energy: 0.134 local terms energy: -357.463913 where: bonds (distance) C4'-P energy: -59.368 bonds (distance) P-C4' energy: -65.955 flat angles C4'-P-C4' energy: -79.687 flat angles P-C4'-P energy: -39.707 tors. eta vs tors. theta energy: -112.747 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: 3 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1277.681778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.681778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.681778 (E_RNA) where: Base-Base interactions energy: -903.134 where: short stacking energy: -365.310 Base-Backbone interact. energy: 0.022 local terms energy: -374.570058 where: bonds (distance) C4'-P energy: -69.063 bonds (distance) P-C4' energy: -71.314 flat angles C4'-P-C4' energy: -80.688 flat angles P-C4'-P energy: -50.927 tors. eta vs tors. theta energy: -102.579 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: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1285.341099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.341099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.341099 (E_RNA) where: Base-Base interactions energy: -948.820 where: short stacking energy: -360.029 Base-Backbone interact. energy: 1.288 local terms energy: -337.809723 where: bonds (distance) C4'-P energy: -59.796 bonds (distance) P-C4' energy: -51.868 flat angles C4'-P-C4' energy: -64.658 flat angles P-C4'-P energy: -50.493 tors. eta vs tors. theta energy: -110.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1155.147895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.147895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.147895 (E_RNA) where: Base-Base interactions energy: -827.669 where: short stacking energy: -321.922 Base-Backbone interact. energy: 0.664 local terms energy: -328.142558 where: bonds (distance) C4'-P energy: -62.329 bonds (distance) P-C4' energy: -62.627 flat angles C4'-P-C4' energy: -59.685 flat angles P-C4'-P energy: -53.514 tors. eta vs tors. theta energy: -89.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1714.006253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.006253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.006253 (E_RNA) where: Base-Base interactions energy: -1241.018 where: short stacking energy: -489.118 Base-Backbone interact. energy: -0.384 local terms energy: -472.603637 where: bonds (distance) C4'-P energy: -82.480 bonds (distance) P-C4' energy: -79.060 flat angles C4'-P-C4' energy: -94.068 flat angles P-C4'-P energy: -66.945 tors. eta vs tors. theta energy: -150.050 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: 2 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1579.855510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.855510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.855510 (E_RNA) where: Base-Base interactions energy: -1149.326 where: short stacking energy: -455.547 Base-Backbone interact. energy: -0.124 local terms energy: -430.404687 where: bonds (distance) C4'-P energy: -61.032 bonds (distance) P-C4' energy: -74.501 flat angles C4'-P-C4' energy: -91.114 flat angles P-C4'-P energy: -64.413 tors. eta vs tors. theta energy: -139.344 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: 6 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1569.909387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.909387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.909387 (E_RNA) where: Base-Base interactions energy: -1146.696 where: short stacking energy: -451.492 Base-Backbone interact. energy: -0.195 local terms energy: -423.018209 where: bonds (distance) C4'-P energy: -74.039 bonds (distance) P-C4' energy: -77.697 flat angles C4'-P-C4' energy: -86.774 flat angles P-C4'-P energy: -52.799 tors. eta vs tors. theta energy: -131.710 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: 1 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1530.330533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.330533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.330533 (E_RNA) where: Base-Base interactions energy: -1100.570 where: short stacking energy: -438.589 Base-Backbone interact. energy: -0.351 local terms energy: -429.408794 where: bonds (distance) C4'-P energy: -80.542 bonds (distance) P-C4' energy: -63.827 flat angles C4'-P-C4' energy: -90.225 flat angles P-C4'-P energy: -63.733 tors. eta vs tors. theta energy: -131.081 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: 362 Temperature: 1.100000 Total energy: -1487.006266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.006266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.006266 (E_RNA) where: Base-Base interactions energy: -1077.728 where: short stacking energy: -425.472 Base-Backbone interact. energy: 1.426 local terms energy: -410.703997 where: bonds (distance) C4'-P energy: -73.360 bonds (distance) P-C4' energy: -70.824 flat angles C4'-P-C4' energy: -82.089 flat angles P-C4'-P energy: -61.746 tors. eta vs tors. theta energy: -122.684 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: 6, replica: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1417.389038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.389038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.389038 (E_RNA) where: Base-Base interactions energy: -1019.797 where: short stacking energy: -398.691 Base-Backbone interact. energy: 0.457 local terms energy: -398.048960 where: bonds (distance) C4'-P energy: -69.275 bonds (distance) P-C4' energy: -68.304 flat angles C4'-P-C4' energy: -79.823 flat angles P-C4'-P energy: -58.072 tors. eta vs tors. theta energy: -122.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1391.417067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.417067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.417067 (E_RNA) where: Base-Base interactions energy: -1030.705 where: short stacking energy: -392.398 Base-Backbone interact. energy: 1.446 local terms energy: -362.158623 where: bonds (distance) C4'-P energy: -59.518 bonds (distance) P-C4' energy: -53.744 flat angles C4'-P-C4' energy: -79.939 flat angles P-C4'-P energy: -54.657 tors. eta vs tors. theta energy: -114.301 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: 3 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1299.271899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.271899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.271899 (E_RNA) where: Base-Base interactions energy: -945.552 where: short stacking energy: -371.784 Base-Backbone interact. energy: 2.282 local terms energy: -356.001955 where: bonds (distance) C4'-P energy: -57.195 bonds (distance) P-C4' energy: -62.419 flat angles C4'-P-C4' energy: -78.061 flat angles P-C4'-P energy: -45.999 tors. eta vs tors. theta energy: -112.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1290.169033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.169033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.169033 (E_RNA) where: Base-Base interactions energy: -953.163 where: short stacking energy: -370.801 Base-Backbone interact. energy: 1.007 local terms energy: -338.012808 where: bonds (distance) C4'-P energy: -50.220 bonds (distance) P-C4' energy: -55.756 flat angles C4'-P-C4' energy: -77.775 flat angles P-C4'-P energy: -51.311 tors. eta vs tors. theta energy: -102.951 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: 10, replica: 8 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1139.786906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.786906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.786906 (E_RNA) where: Base-Base interactions energy: -796.727 where: short stacking energy: -316.348 Base-Backbone interact. energy: -0.701 local terms energy: -342.358681 where: bonds (distance) C4'-P energy: -72.413 bonds (distance) P-C4' energy: -68.720 flat angles C4'-P-C4' energy: -67.468 flat angles P-C4'-P energy: -39.324 tors. eta vs tors. theta energy: -94.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1698.503996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.503996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.503996 (E_RNA) where: Base-Base interactions energy: -1247.059 where: short stacking energy: -487.953 Base-Backbone interact. energy: -1.068 local terms energy: -450.376869 where: bonds (distance) C4'-P energy: -68.308 bonds (distance) P-C4' energy: -77.865 flat angles C4'-P-C4' energy: -86.532 flat angles P-C4'-P energy: -70.793 tors. eta vs tors. theta energy: -146.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1577.736500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.736500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.736500 (E_RNA) where: Base-Base interactions energy: -1153.061 where: short stacking energy: -447.989 Base-Backbone interact. energy: -0.832 local terms energy: -423.843963 where: bonds (distance) C4'-P energy: -75.495 bonds (distance) P-C4' energy: -66.610 flat angles C4'-P-C4' energy: -90.546 flat angles P-C4'-P energy: -57.575 tors. eta vs tors. theta energy: -133.618 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: 363 Temperature: 1.000000 Total energy: -1566.423825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.423825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.423825 (E_RNA) where: Base-Base interactions energy: -1133.785 where: short stacking energy: -446.939 Base-Backbone interact. energy: -0.136 local terms energy: -432.502844 where: bonds (distance) C4'-P energy: -61.757 bonds (distance) P-C4' energy: -76.892 flat angles C4'-P-C4' energy: -92.267 flat angles P-C4'-P energy: -67.857 tors. eta vs tors. theta energy: -133.729 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: 1 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1526.680016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.680016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.680016 (E_RNA) where: Base-Base interactions energy: -1119.840 where: short stacking energy: -437.048 Base-Backbone interact. energy: -0.174 local terms energy: -406.665985 where: bonds (distance) C4'-P energy: -63.895 bonds (distance) P-C4' energy: -75.137 flat angles C4'-P-C4' energy: -81.395 flat angles P-C4'-P energy: -54.622 tors. eta vs tors. theta energy: -131.617 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: 10 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1481.063241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.063241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.063241 (E_RNA) where: Base-Base interactions energy: -1071.357 where: short stacking energy: -426.388 Base-Backbone interact. energy: -0.460 local terms energy: -409.246140 where: bonds (distance) C4'-P energy: -62.811 bonds (distance) P-C4' energy: -73.582 flat angles C4'-P-C4' energy: -91.762 flat angles P-C4'-P energy: -48.754 tors. eta vs tors. theta energy: -132.338 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: 363 Temperature: 1.150000 Total energy: -1404.394516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.394516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.394516 (E_RNA) where: Base-Base interactions energy: -1026.386 where: short stacking energy: -389.231 Base-Backbone interact. energy: 1.456 local terms energy: -379.463894 where: bonds (distance) C4'-P energy: -61.465 bonds (distance) P-C4' energy: -69.974 flat angles C4'-P-C4' energy: -77.239 flat angles P-C4'-P energy: -55.344 tors. eta vs tors. theta energy: -115.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1407.482679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.482679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.482679 (E_RNA) where: Base-Base interactions energy: -1033.729 where: short stacking energy: -388.523 Base-Backbone interact. energy: -0.482 local terms energy: -373.272137 where: bonds (distance) C4'-P energy: -57.432 bonds (distance) P-C4' energy: -71.124 flat angles C4'-P-C4' energy: -77.559 flat angles P-C4'-P energy: -48.327 tors. eta vs tors. theta energy: -118.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1332.598880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.598880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.598880 (E_RNA) where: Base-Base interactions energy: -965.108 where: short stacking energy: -372.083 Base-Backbone interact. energy: -0.562 local terms energy: -366.928673 where: bonds (distance) C4'-P energy: -70.621 bonds (distance) P-C4' energy: -69.510 flat angles C4'-P-C4' energy: -73.145 flat angles P-C4'-P energy: -40.942 tors. eta vs tors. theta energy: -112.710 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: 363 Temperature: 1.300000 Total energy: -1309.217596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.217596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.217596 (E_RNA) where: Base-Base interactions energy: -948.387 where: short stacking energy: -354.916 Base-Backbone interact. energy: -0.227 local terms energy: -360.603301 where: bonds (distance) C4'-P energy: -63.591 bonds (distance) P-C4' energy: -66.009 flat angles C4'-P-C4' energy: -82.693 flat angles P-C4'-P energy: -44.213 tors. eta vs tors. theta energy: -104.097 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: 8 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1138.793489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.793489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.793489 (E_RNA) where: Base-Base interactions energy: -839.903 where: short stacking energy: -310.259 Base-Backbone interact. energy: -1.000 local terms energy: -297.890488 where: bonds (distance) C4'-P energy: -54.822 bonds (distance) P-C4' energy: -50.172 flat angles C4'-P-C4' energy: -72.087 flat angles P-C4'-P energy: -36.619 tors. eta vs tors. theta energy: -84.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1719.259286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.259286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.259286 (E_RNA) where: Base-Base interactions energy: -1261.877 where: short stacking energy: -494.862 Base-Backbone interact. energy: -0.293 local terms energy: -457.089941 where: bonds (distance) C4'-P energy: -71.904 bonds (distance) P-C4' energy: -77.876 flat angles C4'-P-C4' energy: -95.035 flat angles P-C4'-P energy: -64.538 tors. eta vs tors. theta energy: -147.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1594.543109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.543109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.543109 (E_RNA) where: Base-Base interactions energy: -1163.974 where: short stacking energy: -450.014 Base-Backbone interact. energy: 4.546 local terms energy: -435.114260 where: bonds (distance) C4'-P energy: -76.181 bonds (distance) P-C4' energy: -82.868 flat angles C4'-P-C4' energy: -91.060 flat angles P-C4'-P energy: -53.453 tors. eta vs tors. theta energy: -131.552 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: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1569.812001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.812001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.812001 (E_RNA) where: Base-Base interactions energy: -1135.759 where: short stacking energy: -450.386 Base-Backbone interact. energy: -0.082 local terms energy: -433.970980 where: bonds (distance) C4'-P energy: -72.822 bonds (distance) P-C4' energy: -77.048 flat angles C4'-P-C4' energy: -87.234 flat angles P-C4'-P energy: -61.087 tors. eta vs tors. theta energy: -135.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1522.654867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.654867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.654867 (E_RNA) where: Base-Base interactions energy: -1122.671 where: short stacking energy: -434.295 Base-Backbone interact. energy: -1.095 local terms energy: -398.888590 where: bonds (distance) C4'-P energy: -54.795 bonds (distance) P-C4' energy: -70.978 flat angles C4'-P-C4' energy: -89.864 flat angles P-C4'-P energy: -56.800 tors. eta vs tors. theta energy: -126.451 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: 364 Temperature: 1.100000 Total energy: -1486.292636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.292636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.292636 (E_RNA) where: Base-Base interactions energy: -1086.702 where: short stacking energy: -425.126 Base-Backbone interact. energy: -0.264 local terms energy: -399.326807 where: bonds (distance) C4'-P energy: -67.127 bonds (distance) P-C4' energy: -60.055 flat angles C4'-P-C4' energy: -87.234 flat angles P-C4'-P energy: -59.266 tors. eta vs tors. theta energy: -125.646 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: 9 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1415.772664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.772664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.772664 (E_RNA) where: Base-Base interactions energy: -1036.050 where: short stacking energy: -407.041 Base-Backbone interact. energy: -3.341 local terms energy: -376.381372 where: bonds (distance) C4'-P energy: -73.613 bonds (distance) P-C4' energy: -69.467 flat angles C4'-P-C4' energy: -64.736 flat angles P-C4'-P energy: -50.645 tors. eta vs tors. theta energy: -117.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1369.444332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.444332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.444332 (E_RNA) where: Base-Base interactions energy: -992.836 where: short stacking energy: -385.787 Base-Backbone interact. energy: -0.176 local terms energy: -376.432561 where: bonds (distance) C4'-P energy: -57.830 bonds (distance) P-C4' energy: -65.573 flat angles C4'-P-C4' energy: -84.928 flat angles P-C4'-P energy: -54.783 tors. eta vs tors. theta energy: -113.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1334.864511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.864511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.864511 (E_RNA) where: Base-Base interactions energy: -976.162 where: short stacking energy: -370.381 Base-Backbone interact. energy: 0.206 local terms energy: -358.909057 where: bonds (distance) C4'-P energy: -73.270 bonds (distance) P-C4' energy: -58.902 flat angles C4'-P-C4' energy: -74.953 flat angles P-C4'-P energy: -35.355 tors. eta vs tors. theta energy: -116.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1255.885992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.885992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.885992 (E_RNA) where: Base-Base interactions energy: -933.796 where: short stacking energy: -371.044 Base-Backbone interact. energy: -0.069 local terms energy: -322.020663 where: bonds (distance) C4'-P energy: -50.197 bonds (distance) P-C4' energy: -61.459 flat angles C4'-P-C4' energy: -74.892 flat angles P-C4'-P energy: -23.129 tors. eta vs tors. theta energy: -112.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1197.393463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.393463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.393463 (E_RNA) where: Base-Base interactions energy: -834.912 where: short stacking energy: -327.443 Base-Backbone interact. energy: -0.763 local terms energy: -361.718912 where: bonds (distance) C4'-P energy: -69.980 bonds (distance) P-C4' energy: -68.469 flat angles C4'-P-C4' energy: -82.639 flat angles P-C4'-P energy: -46.605 tors. eta vs tors. theta energy: -94.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1700.311921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.311921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.311921 (E_RNA) where: Base-Base interactions energy: -1232.801 where: short stacking energy: -488.955 Base-Backbone interact. energy: -0.192 local terms energy: -467.319251 where: bonds (distance) C4'-P energy: -80.149 bonds (distance) P-C4' energy: -83.581 flat angles C4'-P-C4' energy: -93.381 flat angles P-C4'-P energy: -59.081 tors. eta vs tors. theta energy: -151.128 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: 365 Temperature: 0.950000 Total energy: -1577.980533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.980533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.980533 (E_RNA) where: Base-Base interactions energy: -1131.355 where: short stacking energy: -450.131 Base-Backbone interact. energy: -0.407 local terms energy: -446.217911 where: bonds (distance) C4'-P energy: -73.778 bonds (distance) P-C4' energy: -79.253 flat angles C4'-P-C4' energy: -90.253 flat angles P-C4'-P energy: -67.989 tors. eta vs tors. theta energy: -134.944 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: 365 Temperature: 1.000000 Total energy: -1564.698751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.698751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.698751 (E_RNA) where: Base-Base interactions energy: -1157.589 where: short stacking energy: -442.496 Base-Backbone interact. energy: 4.387 local terms energy: -411.497272 where: bonds (distance) C4'-P energy: -60.278 bonds (distance) P-C4' energy: -68.665 flat angles C4'-P-C4' energy: -88.494 flat angles P-C4'-P energy: -63.518 tors. eta vs tors. theta energy: -130.543 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: 4, replica: 1 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1510.630863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.630863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.630863 (E_RNA) where: Base-Base interactions energy: -1091.302 where: short stacking energy: -430.083 Base-Backbone interact. energy: -0.423 local terms energy: -418.906445 where: bonds (distance) C4'-P energy: -77.049 bonds (distance) P-C4' energy: -73.719 flat angles C4'-P-C4' energy: -84.266 flat angles P-C4'-P energy: -52.585 tors. eta vs tors. theta energy: -131.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1482.632327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.632327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.632327 (E_RNA) where: Base-Base interactions energy: -1068.371 where: short stacking energy: -426.316 Base-Backbone interact. energy: -0.634 local terms energy: -413.628127 where: bonds (distance) C4'-P energy: -59.254 bonds (distance) P-C4' energy: -75.636 flat angles C4'-P-C4' energy: -85.566 flat angles P-C4'-P energy: -68.272 tors. eta vs tors. theta energy: -124.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1403.247237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.247237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.247237 (E_RNA) where: Base-Base interactions energy: -1021.601 where: short stacking energy: -386.179 Base-Backbone interact. energy: 0.024 local terms energy: -381.670732 where: bonds (distance) C4'-P energy: -65.011 bonds (distance) P-C4' energy: -64.094 flat angles C4'-P-C4' energy: -77.288 flat angles P-C4'-P energy: -59.781 tors. eta vs tors. theta energy: -115.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1388.755733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.755733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.755733 (E_RNA) where: Base-Base interactions energy: -1022.909 where: short stacking energy: -397.086 Base-Backbone interact. energy: 3.994 local terms energy: -369.840767 where: bonds (distance) C4'-P energy: -68.978 bonds (distance) P-C4' energy: -53.695 flat angles C4'-P-C4' energy: -70.559 flat angles P-C4'-P energy: -61.663 tors. eta vs tors. theta energy: -114.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1328.174828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.174828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.174828 (E_RNA) where: Base-Base interactions energy: -984.409 where: short stacking energy: -378.325 Base-Backbone interact. energy: -0.820 local terms energy: -342.945883 where: bonds (distance) C4'-P energy: -51.654 bonds (distance) P-C4' energy: -61.789 flat angles C4'-P-C4' energy: -70.358 flat angles P-C4'-P energy: -55.241 tors. eta vs tors. theta energy: -103.904 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: 3 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1302.632687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.632687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.632687 (E_RNA) where: Base-Base interactions energy: -958.185 where: short stacking energy: -367.098 Base-Backbone interact. energy: -0.767 local terms energy: -343.679766 where: bonds (distance) C4'-P energy: -50.615 bonds (distance) P-C4' energy: -60.308 flat angles C4'-P-C4' energy: -79.843 flat angles P-C4'-P energy: -46.423 tors. eta vs tors. theta energy: -106.490 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: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1137.897950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.897950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.897950 (E_RNA) where: Base-Base interactions energy: -824.516 where: short stacking energy: -327.517 Base-Backbone interact. energy: -0.141 local terms energy: -313.240288 where: bonds (distance) C4'-P energy: -57.005 bonds (distance) P-C4' energy: -52.964 flat angles C4'-P-C4' energy: -69.446 flat angles P-C4'-P energy: -44.103 tors. eta vs tors. theta energy: -89.721 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: 5 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1708.610019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.610019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.610019 (E_RNA) where: Base-Base interactions energy: -1239.145 where: short stacking energy: -494.040 Base-Backbone interact. energy: -0.083 local terms energy: -469.381762 where: bonds (distance) C4'-P energy: -76.025 bonds (distance) P-C4' energy: -74.976 flat angles C4'-P-C4' energy: -99.101 flat angles P-C4'-P energy: -66.978 tors. eta vs tors. theta energy: -152.303 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: 2 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1563.995197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.995197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.995197 (E_RNA) where: Base-Base interactions energy: -1132.271 where: short stacking energy: -437.141 Base-Backbone interact. energy: 0.821 local terms energy: -432.546088 where: bonds (distance) C4'-P energy: -76.629 bonds (distance) P-C4' energy: -80.991 flat angles C4'-P-C4' energy: -87.866 flat angles P-C4'-P energy: -56.997 tors. eta vs tors. theta energy: -130.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1554.472255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.472255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.472255 (E_RNA) where: Base-Base interactions energy: -1137.213 where: short stacking energy: -448.526 Base-Backbone interact. energy: 0.035 local terms energy: -417.293785 where: bonds (distance) C4'-P energy: -71.211 bonds (distance) P-C4' energy: -66.889 flat angles C4'-P-C4' energy: -85.665 flat angles P-C4'-P energy: -58.367 tors. eta vs tors. theta energy: -135.162 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: 1 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1514.271730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.271730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.271730 (E_RNA) where: Base-Base interactions energy: -1109.616 where: short stacking energy: -448.094 Base-Backbone interact. energy: -0.215 local terms energy: -404.440648 where: bonds (distance) C4'-P energy: -62.545 bonds (distance) P-C4' energy: -58.215 flat angles C4'-P-C4' energy: -90.230 flat angles P-C4'-P energy: -58.911 tors. eta vs tors. theta energy: -134.541 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: 5, replica: 10 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1488.352014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.352014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.352014 (E_RNA) where: Base-Base interactions energy: -1071.977 where: short stacking energy: -414.843 Base-Backbone interact. energy: -0.936 local terms energy: -415.439943 where: bonds (distance) C4'-P energy: -73.798 bonds (distance) P-C4' energy: -64.411 flat angles C4'-P-C4' energy: -88.707 flat angles P-C4'-P energy: -65.891 tors. eta vs tors. theta energy: -122.632 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: 6, replica: 4 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1435.397291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.397291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.397291 (E_RNA) where: Base-Base interactions energy: -1038.676 where: short stacking energy: -413.401 Base-Backbone interact. energy: -0.693 local terms energy: -396.028135 where: bonds (distance) C4'-P energy: -68.482 bonds (distance) P-C4' energy: -67.164 flat angles C4'-P-C4' energy: -84.380 flat angles P-C4'-P energy: -51.612 tors. eta vs tors. theta energy: -124.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1375.029367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.029367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.029367 (E_RNA) where: Base-Base interactions energy: -992.017 where: short stacking energy: -375.104 Base-Backbone interact. energy: -1.245 local terms energy: -381.767019 where: bonds (distance) C4'-P energy: -62.819 bonds (distance) P-C4' energy: -69.524 flat angles C4'-P-C4' energy: -73.241 flat angles P-C4'-P energy: -56.452 tors. eta vs tors. theta energy: -119.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1358.417294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.417294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.417294 (E_RNA) where: Base-Base interactions energy: -989.737 where: short stacking energy: -381.955 Base-Backbone interact. energy: 1.293 local terms energy: -369.973468 where: bonds (distance) C4'-P energy: -61.443 bonds (distance) P-C4' energy: -63.497 flat angles C4'-P-C4' energy: -84.566 flat angles P-C4'-P energy: -49.293 tors. eta vs tors. theta energy: -111.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1335.828531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.828531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.828531 (E_RNA) where: Base-Base interactions energy: -988.067 where: short stacking energy: -381.777 Base-Backbone interact. energy: -0.996 local terms energy: -346.765116 where: bonds (distance) C4'-P energy: -62.731 bonds (distance) P-C4' energy: -50.655 flat angles C4'-P-C4' energy: -63.582 flat angles P-C4'-P energy: -53.050 tors. eta vs tors. theta energy: -116.748 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: 8 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1179.402754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.402754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.402754 (E_RNA) where: Base-Base interactions energy: -822.198 where: short stacking energy: -328.499 Base-Backbone interact. energy: -2.846 local terms energy: -354.358867 where: bonds (distance) C4'-P energy: -79.662 bonds (distance) P-C4' energy: -64.282 flat angles C4'-P-C4' energy: -71.087 flat angles P-C4'-P energy: -49.483 tors. eta vs tors. theta energy: -89.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1691.552954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.552954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.552954 (E_RNA) where: Base-Base interactions energy: -1226.783 where: short stacking energy: -476.157 Base-Backbone interact. energy: -0.644 local terms energy: -464.125383 where: bonds (distance) C4'-P energy: -80.952 bonds (distance) P-C4' energy: -73.214 flat angles C4'-P-C4' energy: -90.671 flat angles P-C4'-P energy: -68.760 tors. eta vs tors. theta energy: -150.529 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: 6 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1595.504173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.504173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.504173 (E_RNA) where: Base-Base interactions energy: -1155.806 where: short stacking energy: -461.722 Base-Backbone interact. energy: 1.732 local terms energy: -441.429849 where: bonds (distance) C4'-P energy: -75.556 bonds (distance) P-C4' energy: -77.489 flat angles C4'-P-C4' energy: -92.106 flat angles P-C4'-P energy: -63.230 tors. eta vs tors. theta energy: -133.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1571.417546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.417546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.417546 (E_RNA) where: Base-Base interactions energy: -1136.042 where: short stacking energy: -448.165 Base-Backbone interact. energy: -0.505 local terms energy: -434.870727 where: bonds (distance) C4'-P energy: -80.782 bonds (distance) P-C4' energy: -67.012 flat angles C4'-P-C4' energy: -86.271 flat angles P-C4'-P energy: -61.737 tors. eta vs tors. theta energy: -139.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1507.701875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.701875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.701875 (E_RNA) where: Base-Base interactions energy: -1108.114 where: short stacking energy: -441.409 Base-Backbone interact. energy: -0.719 local terms energy: -398.868818 where: bonds (distance) C4'-P energy: -63.944 bonds (distance) P-C4' energy: -65.243 flat angles C4'-P-C4' energy: -84.608 flat angles P-C4'-P energy: -59.652 tors. eta vs tors. theta energy: -125.421 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: 10 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1474.410757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.410757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.410757 (E_RNA) where: Base-Base interactions energy: -1064.519 where: short stacking energy: -416.301 Base-Backbone interact. energy: 0.025 local terms energy: -409.916275 where: bonds (distance) C4'-P energy: -71.380 bonds (distance) P-C4' energy: -71.641 flat angles C4'-P-C4' energy: -78.141 flat angles P-C4'-P energy: -64.768 tors. eta vs tors. theta energy: -123.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1436.669414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.669414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.669414 (E_RNA) where: Base-Base interactions energy: -1045.281 where: short stacking energy: -411.444 Base-Backbone interact. energy: -0.024 local terms energy: -391.364967 where: bonds (distance) C4'-P energy: -69.118 bonds (distance) P-C4' energy: -75.164 flat angles C4'-P-C4' energy: -71.793 flat angles P-C4'-P energy: -53.471 tors. eta vs tors. theta energy: -121.819 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: 7 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1396.049411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.049411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.049411 (E_RNA) where: Base-Base interactions energy: -1020.134 where: short stacking energy: -392.763 Base-Backbone interact. energy: -0.186 local terms energy: -375.728784 where: bonds (distance) C4'-P energy: -65.125 bonds (distance) P-C4' energy: -68.579 flat angles C4'-P-C4' energy: -81.223 flat angles P-C4'-P energy: -43.113 tors. eta vs tors. theta energy: -117.689 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: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1371.464209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.464209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.464209 (E_RNA) where: Base-Base interactions energy: -1002.750 where: short stacking energy: -383.704 Base-Backbone interact. energy: 5.777 local terms energy: -374.491331 where: bonds (distance) C4'-P energy: -63.596 bonds (distance) P-C4' energy: -61.350 flat angles C4'-P-C4' energy: -83.122 flat angles P-C4'-P energy: -56.975 tors. eta vs tors. theta energy: -109.450 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: 3 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1336.163393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.163393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.163393 (E_RNA) where: Base-Base interactions energy: -991.868 where: short stacking energy: -384.746 Base-Backbone interact. energy: 0.256 local terms energy: -344.551482 where: bonds (distance) C4'-P energy: -47.728 bonds (distance) P-C4' energy: -59.823 flat angles C4'-P-C4' energy: -73.717 flat angles P-C4'-P energy: -57.203 tors. eta vs tors. theta energy: -106.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1168.707001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.707001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.707001 (E_RNA) where: Base-Base interactions energy: -830.063 where: short stacking energy: -332.056 Base-Backbone interact. energy: -0.701 local terms energy: -337.943101 where: bonds (distance) C4'-P energy: -64.973 bonds (distance) P-C4' energy: -44.669 flat angles C4'-P-C4' energy: -83.917 flat angles P-C4'-P energy: -46.987 tors. eta vs tors. theta energy: -97.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1709.186609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.186609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.186609 (E_RNA) where: Base-Base interactions energy: -1240.165 where: short stacking energy: -483.784 Base-Backbone interact. energy: -0.156 local terms energy: -468.865538 where: bonds (distance) C4'-P energy: -82.711 bonds (distance) P-C4' energy: -74.530 flat angles C4'-P-C4' energy: -95.908 flat angles P-C4'-P energy: -64.714 tors. eta vs tors. theta energy: -151.003 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: 6 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1603.110289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.110289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.110289 (E_RNA) where: Base-Base interactions energy: -1167.350 where: short stacking energy: -455.050 Base-Backbone interact. energy: 0.061 local terms energy: -435.821554 where: bonds (distance) C4'-P energy: -68.373 bonds (distance) P-C4' energy: -76.542 flat angles C4'-P-C4' energy: -93.434 flat angles P-C4'-P energy: -62.931 tors. eta vs tors. theta energy: -134.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1571.469671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.469671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.469671 (E_RNA) where: Base-Base interactions energy: -1136.537 where: short stacking energy: -449.593 Base-Backbone interact. energy: 0.234 local terms energy: -435.166090 where: bonds (distance) C4'-P energy: -76.952 bonds (distance) P-C4' energy: -65.027 flat angles C4'-P-C4' energy: -92.457 flat angles P-C4'-P energy: -63.233 tors. eta vs tors. theta energy: -137.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1528.263213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.263213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.263213 (E_RNA) where: Base-Base interactions energy: -1104.856 where: short stacking energy: -438.332 Base-Backbone interact. energy: -2.116 local terms energy: -421.291047 where: bonds (distance) C4'-P energy: -74.885 bonds (distance) P-C4' energy: -70.565 flat angles C4'-P-C4' energy: -77.933 flat angles P-C4'-P energy: -67.246 tors. eta vs tors. theta energy: -130.662 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: 10 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1496.380370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.380370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.380370 (E_RNA) where: Base-Base interactions energy: -1076.485 where: short stacking energy: -422.286 Base-Backbone interact. energy: 0.077 local terms energy: -419.971952 where: bonds (distance) C4'-P energy: -72.865 bonds (distance) P-C4' energy: -69.776 flat angles C4'-P-C4' energy: -84.909 flat angles P-C4'-P energy: -63.071 tors. eta vs tors. theta energy: -129.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1413.106070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.106070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.106070 (E_RNA) where: Base-Base interactions energy: -1039.892 where: short stacking energy: -416.204 Base-Backbone interact. energy: -0.188 local terms energy: -373.026243 where: bonds (distance) C4'-P energy: -67.964 bonds (distance) P-C4' energy: -52.275 flat angles C4'-P-C4' energy: -82.729 flat angles P-C4'-P energy: -57.085 tors. eta vs tors. theta energy: -112.974 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: 9 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1384.285080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.285080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.285080 (E_RNA) where: Base-Base interactions energy: -998.726 where: short stacking energy: -379.747 Base-Backbone interact. energy: 0.055 local terms energy: -385.614337 where: bonds (distance) C4'-P energy: -61.291 bonds (distance) P-C4' energy: -77.205 flat angles C4'-P-C4' energy: -82.144 flat angles P-C4'-P energy: -56.046 tors. eta vs tors. theta energy: -108.928 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: 8, replica: 7 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1361.562650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.562650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.562650 (E_RNA) where: Base-Base interactions energy: -1017.904 where: short stacking energy: -392.589 Base-Backbone interact. energy: 1.581 local terms energy: -345.239091 where: bonds (distance) C4'-P energy: -49.419 bonds (distance) P-C4' energy: -56.209 flat angles C4'-P-C4' energy: -77.057 flat angles P-C4'-P energy: -50.599 tors. eta vs tors. theta energy: -111.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1314.293522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.293522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.293522 (E_RNA) where: Base-Base interactions energy: -966.070 where: short stacking energy: -373.314 Base-Backbone interact. energy: -0.855 local terms energy: -347.368518 where: bonds (distance) C4'-P energy: -57.225 bonds (distance) P-C4' energy: -65.972 flat angles C4'-P-C4' energy: -81.236 flat angles P-C4'-P energy: -42.323 tors. eta vs tors. theta energy: -100.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1167.696358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.696358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.696358 (E_RNA) where: Base-Base interactions energy: -830.263 where: short stacking energy: -336.768 Base-Backbone interact. energy: -0.551 local terms energy: -336.882558 where: bonds (distance) C4'-P energy: -54.967 bonds (distance) P-C4' energy: -57.483 flat angles C4'-P-C4' energy: -71.826 flat angles P-C4'-P energy: -46.987 tors. eta vs tors. theta energy: -105.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1716.536242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.536242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.536242 (E_RNA) where: Base-Base interactions energy: -1252.342 where: short stacking energy: -499.359 Base-Backbone interact. energy: -1.362 local terms energy: -462.832183 where: bonds (distance) C4'-P energy: -76.553 bonds (distance) P-C4' energy: -78.195 flat angles C4'-P-C4' energy: -90.338 flat angles P-C4'-P energy: -70.440 tors. eta vs tors. theta energy: -147.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1593.462300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.462300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.462300 (E_RNA) where: Base-Base interactions energy: -1155.442 where: short stacking energy: -453.435 Base-Backbone interact. energy: -0.810 local terms energy: -437.210118 where: bonds (distance) C4'-P energy: -75.190 bonds (distance) P-C4' energy: -71.038 flat angles C4'-P-C4' energy: -89.459 flat angles P-C4'-P energy: -67.056 tors. eta vs tors. theta energy: -134.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1534.686295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.686295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.686295 (E_RNA) where: Base-Base interactions energy: -1127.294 where: short stacking energy: -431.382 Base-Backbone interact. energy: 0.556 local terms energy: -407.948262 where: bonds (distance) C4'-P energy: -73.400 bonds (distance) P-C4' energy: -62.935 flat angles C4'-P-C4' energy: -86.985 flat angles P-C4'-P energy: -59.786 tors. eta vs tors. theta energy: -124.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1497.850439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.850439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.850439 (E_RNA) where: Base-Base interactions energy: -1083.057 where: short stacking energy: -432.441 Base-Backbone interact. energy: -0.774 local terms energy: -414.020196 where: bonds (distance) C4'-P energy: -71.755 bonds (distance) P-C4' energy: -73.023 flat angles C4'-P-C4' energy: -85.458 flat angles P-C4'-P energy: -57.812 tors. eta vs tors. theta energy: -125.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1502.011587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.011587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.011587 (E_RNA) where: Base-Base interactions energy: -1102.859 where: short stacking energy: -422.069 Base-Backbone interact. energy: -2.158 local terms energy: -396.994791 where: bonds (distance) C4'-P energy: -71.487 bonds (distance) P-C4' energy: -56.707 flat angles C4'-P-C4' energy: -90.922 flat angles P-C4'-P energy: -49.399 tors. eta vs tors. theta energy: -128.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1401.675251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.675251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.675251 (E_RNA) where: Base-Base interactions energy: -1021.508 where: short stacking energy: -388.532 Base-Backbone interact. energy: 1.055 local terms energy: -381.221415 where: bonds (distance) C4'-P energy: -56.376 bonds (distance) P-C4' energy: -66.223 flat angles C4'-P-C4' energy: -82.581 flat angles P-C4'-P energy: -60.214 tors. eta vs tors. theta energy: -115.827 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: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1380.209705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.209705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.209705 (E_RNA) where: Base-Base interactions energy: -978.172 where: short stacking energy: -385.129 Base-Backbone interact. energy: -0.588 local terms energy: -401.449774 where: bonds (distance) C4'-P energy: -73.310 bonds (distance) P-C4' energy: -74.051 flat angles C4'-P-C4' energy: -86.865 flat angles P-C4'-P energy: -50.259 tors. eta vs tors. theta energy: -116.964 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: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1351.407837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.407837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.407837 (E_RNA) where: Base-Base interactions energy: -992.045 where: short stacking energy: -387.783 Base-Backbone interact. energy: 0.340 local terms energy: -359.702346 where: bonds (distance) C4'-P energy: -64.139 bonds (distance) P-C4' energy: -58.887 flat angles C4'-P-C4' energy: -65.400 flat angles P-C4'-P energy: -61.736 tors. eta vs tors. theta energy: -109.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1324.254528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.254528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.254528 (E_RNA) where: Base-Base interactions energy: -974.515 where: short stacking energy: -371.493 Base-Backbone interact. energy: 1.843 local terms energy: -351.582093 where: bonds (distance) C4'-P energy: -52.920 bonds (distance) P-C4' energy: -61.009 flat angles C4'-P-C4' energy: -80.929 flat angles P-C4'-P energy: -47.654 tors. eta vs tors. theta energy: -109.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1135.397735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.397735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.397735 (E_RNA) where: Base-Base interactions energy: -804.331 where: short stacking energy: -318.088 Base-Backbone interact. energy: 3.357 local terms energy: -334.423104 where: bonds (distance) C4'-P energy: -58.822 bonds (distance) P-C4' energy: -69.779 flat angles C4'-P-C4' energy: -67.144 flat angles P-C4'-P energy: -54.490 tors. eta vs tors. theta energy: -84.189 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: 5 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1710.072642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.072642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.072642 (E_RNA) where: Base-Base interactions energy: -1249.057 where: short stacking energy: -479.457 Base-Backbone interact. energy: -0.809 local terms energy: -460.206490 where: bonds (distance) C4'-P energy: -67.872 bonds (distance) P-C4' energy: -80.963 flat angles C4'-P-C4' energy: -93.492 flat angles P-C4'-P energy: -71.364 tors. eta vs tors. theta energy: -146.515 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: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1603.762435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.762435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.762435 (E_RNA) where: Base-Base interactions energy: -1171.486 where: short stacking energy: -451.982 Base-Backbone interact. energy: -2.078 local terms energy: -430.198466 where: bonds (distance) C4'-P energy: -71.221 bonds (distance) P-C4' energy: -76.712 flat angles C4'-P-C4' energy: -83.246 flat angles P-C4'-P energy: -67.378 tors. eta vs tors. theta energy: -131.642 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: 6 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1551.058046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.058046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.058046 (E_RNA) where: Base-Base interactions energy: -1127.908 where: short stacking energy: -442.880 Base-Backbone interact. energy: -1.721 local terms energy: -421.429140 where: bonds (distance) C4'-P energy: -68.443 bonds (distance) P-C4' energy: -76.569 flat angles C4'-P-C4' energy: -87.945 flat angles P-C4'-P energy: -65.517 tors. eta vs tors. theta energy: -122.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1484.388700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.388700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.388700 (E_RNA) where: Base-Base interactions energy: -1072.244 where: short stacking energy: -417.031 Base-Backbone interact. energy: -0.578 local terms energy: -411.566114 where: bonds (distance) C4'-P energy: -68.437 bonds (distance) P-C4' energy: -79.213 flat angles C4'-P-C4' energy: -87.681 flat angles P-C4'-P energy: -55.979 tors. eta vs tors. theta energy: -120.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1490.254697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.254697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.254697 (E_RNA) where: Base-Base interactions energy: -1085.042 where: short stacking energy: -418.567 Base-Backbone interact. energy: 1.114 local terms energy: -406.326317 where: bonds (distance) C4'-P energy: -55.103 bonds (distance) P-C4' energy: -78.292 flat angles C4'-P-C4' energy: -87.602 flat angles P-C4'-P energy: -60.539 tors. eta vs tors. theta energy: -124.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1419.921083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.921083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.921083 (E_RNA) where: Base-Base interactions energy: -1044.265 where: short stacking energy: -397.402 Base-Backbone interact. energy: 0.926 local terms energy: -376.581750 where: bonds (distance) C4'-P energy: -68.621 bonds (distance) P-C4' energy: -62.536 flat angles C4'-P-C4' energy: -84.423 flat angles P-C4'-P energy: -49.906 tors. eta vs tors. theta energy: -111.096 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: 4 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1359.459416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.459416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.459416 (E_RNA) where: Base-Base interactions energy: -989.786 where: short stacking energy: -382.292 Base-Backbone interact. energy: -0.584 local terms energy: -369.090167 where: bonds (distance) C4'-P energy: -61.897 bonds (distance) P-C4' energy: -62.212 flat angles C4'-P-C4' energy: -85.085 flat angles P-C4'-P energy: -49.234 tors. eta vs tors. theta energy: -110.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1329.522836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.522836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.522836 (E_RNA) where: Base-Base interactions energy: -973.508 where: short stacking energy: -371.938 Base-Backbone interact. energy: 0.931 local terms energy: -356.945923 where: bonds (distance) C4'-P energy: -59.798 bonds (distance) P-C4' energy: -65.666 flat angles C4'-P-C4' energy: -79.060 flat angles P-C4'-P energy: -51.183 tors. eta vs tors. theta energy: -101.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1343.380830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.380830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.380830 (E_RNA) where: Base-Base interactions energy: -980.589 where: short stacking energy: -376.015 Base-Backbone interact. energy: 0.498 local terms energy: -363.289969 where: bonds (distance) C4'-P energy: -61.023 bonds (distance) P-C4' energy: -56.693 flat angles C4'-P-C4' energy: -85.183 flat angles P-C4'-P energy: -53.278 tors. eta vs tors. theta energy: -107.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1094.726107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.726107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.726107 (E_RNA) where: Base-Base interactions energy: -778.219 where: short stacking energy: -314.579 Base-Backbone interact. energy: 0.318 local terms energy: -316.824844 where: bonds (distance) C4'-P energy: -51.072 bonds (distance) P-C4' energy: -61.146 flat angles C4'-P-C4' energy: -74.310 flat angles P-C4'-P energy: -50.255 tors. eta vs tors. theta energy: -80.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1721.717040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.717040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.717040 (E_RNA) where: Base-Base interactions energy: -1252.579 where: short stacking energy: -487.327 Base-Backbone interact. energy: -0.346 local terms energy: -468.792412 where: bonds (distance) C4'-P energy: -76.389 bonds (distance) P-C4' energy: -82.307 flat angles C4'-P-C4' energy: -89.087 flat angles P-C4'-P energy: -71.332 tors. eta vs tors. theta energy: -149.678 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: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1590.525045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.525045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.525045 (E_RNA) where: Base-Base interactions energy: -1157.502 where: short stacking energy: -442.163 Base-Backbone interact. energy: -1.587 local terms energy: -431.436087 where: bonds (distance) C4'-P energy: -86.470 bonds (distance) P-C4' energy: -73.159 flat angles C4'-P-C4' energy: -82.772 flat angles P-C4'-P energy: -59.479 tors. eta vs tors. theta energy: -129.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1543.254900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.254900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.254900 (E_RNA) where: Base-Base interactions energy: -1133.965 where: short stacking energy: -439.322 Base-Backbone interact. energy: -0.895 local terms energy: -408.395553 where: bonds (distance) C4'-P energy: -71.105 bonds (distance) P-C4' energy: -74.402 flat angles C4'-P-C4' energy: -88.230 flat angles P-C4'-P energy: -42.387 tors. eta vs tors. theta energy: -132.273 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: 1 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1507.614732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.614732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.614732 (E_RNA) where: Base-Base interactions energy: -1099.944 where: short stacking energy: -440.743 Base-Backbone interact. energy: -0.781 local terms energy: -406.889984 where: bonds (distance) C4'-P energy: -71.352 bonds (distance) P-C4' energy: -61.194 flat angles C4'-P-C4' energy: -81.328 flat angles P-C4'-P energy: -64.538 tors. eta vs tors. theta energy: -128.478 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: 371 Temperature: 1.100000 Total energy: -1465.114487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.114487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.114487 (E_RNA) where: Base-Base interactions energy: -1059.918 where: short stacking energy: -416.465 Base-Backbone interact. energy: -0.276 local terms energy: -404.919833 where: bonds (distance) C4'-P energy: -76.667 bonds (distance) P-C4' energy: -66.580 flat angles C4'-P-C4' energy: -84.150 flat angles P-C4'-P energy: -57.863 tors. eta vs tors. theta energy: -119.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1420.167467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.167467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.167467 (E_RNA) where: Base-Base interactions energy: -1028.494 where: short stacking energy: -400.477 Base-Backbone interact. energy: 0.619 local terms energy: -392.292540 where: bonds (distance) C4'-P energy: -71.625 bonds (distance) P-C4' energy: -58.692 flat angles C4'-P-C4' energy: -87.044 flat angles P-C4'-P energy: -53.423 tors. eta vs tors. theta energy: -121.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1351.464282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.464282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.464282 (E_RNA) where: Base-Base interactions energy: -988.338 where: short stacking energy: -371.392 Base-Backbone interact. energy: -0.366 local terms energy: -362.760414 where: bonds (distance) C4'-P energy: -58.752 bonds (distance) P-C4' energy: -50.234 flat angles C4'-P-C4' energy: -86.464 flat angles P-C4'-P energy: -52.985 tors. eta vs tors. theta energy: -114.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1361.651722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.651722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.651722 (E_RNA) where: Base-Base interactions energy: -995.393 where: short stacking energy: -385.042 Base-Backbone interact. energy: 1.405 local terms energy: -367.663371 where: bonds (distance) C4'-P energy: -57.546 bonds (distance) P-C4' energy: -67.457 flat angles C4'-P-C4' energy: -81.260 flat angles P-C4'-P energy: -48.005 tors. eta vs tors. theta energy: -113.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1321.205840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.205840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.205840 (E_RNA) where: Base-Base interactions energy: -969.641 where: short stacking energy: -360.005 Base-Backbone interact. energy: -1.046 local terms energy: -350.519195 where: bonds (distance) C4'-P energy: -55.374 bonds (distance) P-C4' energy: -60.573 flat angles C4'-P-C4' energy: -79.974 flat angles P-C4'-P energy: -44.099 tors. eta vs tors. theta energy: -110.499 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: 8 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1115.767698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.767698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.767698 (E_RNA) where: Base-Base interactions energy: -793.247 where: short stacking energy: -317.429 Base-Backbone interact. energy: -1.489 local terms energy: -321.031587 where: bonds (distance) C4'-P energy: -51.100 bonds (distance) P-C4' energy: -60.704 flat angles C4'-P-C4' energy: -78.902 flat angles P-C4'-P energy: -45.181 tors. eta vs tors. theta energy: -85.144 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: 5 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1697.442331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.442331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.442331 (E_RNA) where: Base-Base interactions energy: -1240.221 where: short stacking energy: -485.101 Base-Backbone interact. energy: -0.009 local terms energy: -457.212541 where: bonds (distance) C4'-P energy: -79.907 bonds (distance) P-C4' energy: -76.054 flat angles C4'-P-C4' energy: -90.600 flat angles P-C4'-P energy: -61.981 tors. eta vs tors. theta energy: -148.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1601.560267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.560267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.560267 (E_RNA) where: Base-Base interactions energy: -1172.380 where: short stacking energy: -462.559 Base-Backbone interact. energy: -0.545 local terms energy: -428.635688 where: bonds (distance) C4'-P energy: -72.772 bonds (distance) P-C4' energy: -77.154 flat angles C4'-P-C4' energy: -89.291 flat angles P-C4'-P energy: -62.789 tors. eta vs tors. theta energy: -126.629 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: 3, replica: 1 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1542.774256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.774256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.774256 (E_RNA) where: Base-Base interactions energy: -1114.041 where: short stacking energy: -447.784 Base-Backbone interact. energy: 0.355 local terms energy: -429.088607 where: bonds (distance) C4'-P energy: -75.819 bonds (distance) P-C4' energy: -81.333 flat angles C4'-P-C4' energy: -83.777 flat angles P-C4'-P energy: -61.181 tors. eta vs tors. theta energy: -126.978 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: 372 Temperature: 1.050000 Total energy: -1557.755985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.755985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.755985 (E_RNA) where: Base-Base interactions energy: -1124.927 where: short stacking energy: -449.305 Base-Backbone interact. energy: -0.321 local terms energy: -432.507336 where: bonds (distance) C4'-P energy: -74.511 bonds (distance) P-C4' energy: -65.376 flat angles C4'-P-C4' energy: -93.724 flat angles P-C4'-P energy: -63.624 tors. eta vs tors. theta energy: -135.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1468.612058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.612058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.612058 (E_RNA) where: Base-Base interactions energy: -1062.256 where: short stacking energy: -408.137 Base-Backbone interact. energy: -0.404 local terms energy: -405.952673 where: bonds (distance) C4'-P energy: -66.394 bonds (distance) P-C4' energy: -73.736 flat angles C4'-P-C4' energy: -81.652 flat angles P-C4'-P energy: -54.779 tors. eta vs tors. theta energy: -129.392 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: 9 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1434.188737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.188737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.188737 (E_RNA) where: Base-Base interactions energy: -1028.555 where: short stacking energy: -400.893 Base-Backbone interact. energy: 1.268 local terms energy: -406.901266 where: bonds (distance) C4'-P energy: -68.082 bonds (distance) P-C4' energy: -74.062 flat angles C4'-P-C4' energy: -85.472 flat angles P-C4'-P energy: -63.875 tors. eta vs tors. theta energy: -115.410 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: 3 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1375.221784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.221784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.221784 (E_RNA) where: Base-Base interactions energy: -984.689 where: short stacking energy: -399.356 Base-Backbone interact. energy: -0.705 local terms energy: -389.827167 where: bonds (distance) C4'-P energy: -69.992 bonds (distance) P-C4' energy: -65.618 flat angles C4'-P-C4' energy: -71.563 flat angles P-C4'-P energy: -59.422 tors. eta vs tors. theta energy: -123.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1354.273284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.273284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.273284 (E_RNA) where: Base-Base interactions energy: -996.563 where: short stacking energy: -384.723 Base-Backbone interact. energy: 1.674 local terms energy: -359.384441 where: bonds (distance) C4'-P energy: -46.326 bonds (distance) P-C4' energy: -74.877 flat angles C4'-P-C4' energy: -62.962 flat angles P-C4'-P energy: -59.158 tors. eta vs tors. theta energy: -116.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1284.229714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.229714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.229714 (E_RNA) where: Base-Base interactions energy: -954.370 where: short stacking energy: -357.372 Base-Backbone interact. energy: 3.433 local terms energy: -333.292657 where: bonds (distance) C4'-P energy: -64.534 bonds (distance) P-C4' energy: -53.242 flat angles C4'-P-C4' energy: -73.330 flat angles P-C4'-P energy: -37.376 tors. eta vs tors. theta energy: -104.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1131.657643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.657643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.657643 (E_RNA) where: Base-Base interactions energy: -805.382 where: short stacking energy: -320.512 Base-Backbone interact. energy: -1.172 local terms energy: -325.103825 where: bonds (distance) C4'-P energy: -52.940 bonds (distance) P-C4' energy: -57.083 flat angles C4'-P-C4' energy: -70.035 flat angles P-C4'-P energy: -55.078 tors. eta vs tors. theta energy: -89.969 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: 1, replica: 5 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1719.337569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.337569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.337569 (E_RNA) where: Base-Base interactions energy: -1251.044 where: short stacking energy: -489.753 Base-Backbone interact. energy: -0.185 local terms energy: -468.109271 where: bonds (distance) C4'-P energy: -79.107 bonds (distance) P-C4' energy: -81.866 flat angles C4'-P-C4' energy: -90.476 flat angles P-C4'-P energy: -67.354 tors. eta vs tors. theta energy: -149.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1581.344925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.344925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.344925 (E_RNA) where: Base-Base interactions energy: -1143.326 where: short stacking energy: -460.107 Base-Backbone interact. energy: -0.154 local terms energy: -437.865097 where: bonds (distance) C4'-P energy: -74.522 bonds (distance) P-C4' energy: -78.355 flat angles C4'-P-C4' energy: -81.227 flat angles P-C4'-P energy: -65.549 tors. eta vs tors. theta energy: -138.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1568.089893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.089893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.089893 (E_RNA) where: Base-Base interactions energy: -1148.080 where: short stacking energy: -442.190 Base-Backbone interact. energy: -0.764 local terms energy: -419.246540 where: bonds (distance) C4'-P energy: -78.664 bonds (distance) P-C4' energy: -70.055 flat angles C4'-P-C4' energy: -82.618 flat angles P-C4'-P energy: -63.162 tors. eta vs tors. theta energy: -124.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1542.076553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.076553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.076553 (E_RNA) where: Base-Base interactions energy: -1134.441 where: short stacking energy: -436.230 Base-Backbone interact. energy: -0.765 local terms energy: -406.870653 where: bonds (distance) C4'-P energy: -68.637 bonds (distance) P-C4' energy: -65.924 flat angles C4'-P-C4' energy: -83.734 flat angles P-C4'-P energy: -62.687 tors. eta vs tors. theta energy: -125.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1490.113391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.113391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.113391 (E_RNA) where: Base-Base interactions energy: -1090.127 where: short stacking energy: -437.683 Base-Backbone interact. energy: -0.575 local terms energy: -399.411655 where: bonds (distance) C4'-P energy: -63.151 bonds (distance) P-C4' energy: -65.257 flat angles C4'-P-C4' energy: -86.167 flat angles P-C4'-P energy: -55.761 tors. eta vs tors. theta energy: -129.076 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: 3 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1417.700622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.700622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.700622 (E_RNA) where: Base-Base interactions energy: -1024.068 where: short stacking energy: -408.215 Base-Backbone interact. energy: -0.464 local terms energy: -393.168633 where: bonds (distance) C4'-P energy: -71.773 bonds (distance) P-C4' energy: -61.529 flat angles C4'-P-C4' energy: -79.875 flat angles P-C4'-P energy: -63.822 tors. eta vs tors. theta energy: -116.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1377.420657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.420657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.420657 (E_RNA) where: Base-Base interactions energy: -1024.355 where: short stacking energy: -391.761 Base-Backbone interact. energy: -1.064 local terms energy: -352.001338 where: bonds (distance) C4'-P energy: -57.682 bonds (distance) P-C4' energy: -47.160 flat angles C4'-P-C4' energy: -78.791 flat angles P-C4'-P energy: -53.673 tors. eta vs tors. theta energy: -114.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1369.098559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.098559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.098559 (E_RNA) where: Base-Base interactions energy: -1002.109 where: short stacking energy: -385.793 Base-Backbone interact. energy: -1.353 local terms energy: -365.636100 where: bonds (distance) C4'-P energy: -60.269 bonds (distance) P-C4' energy: -59.632 flat angles C4'-P-C4' energy: -75.590 flat angles P-C4'-P energy: -53.892 tors. eta vs tors. theta energy: -116.254 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: 9, replica: 7 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1308.839309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.839309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.839309 (E_RNA) where: Base-Base interactions energy: -944.269 where: short stacking energy: -350.501 Base-Backbone interact. energy: -0.403 local terms energy: -364.166953 where: bonds (distance) C4'-P energy: -69.199 bonds (distance) P-C4' energy: -59.445 flat angles C4'-P-C4' energy: -74.711 flat angles P-C4'-P energy: -53.262 tors. eta vs tors. theta energy: -107.550 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: 10, replica: 8 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1120.001561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.001561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.001561 (E_RNA) where: Base-Base interactions energy: -818.717 where: short stacking energy: -313.360 Base-Backbone interact. energy: -0.763 local terms energy: -300.521842 where: bonds (distance) C4'-P energy: -58.707 bonds (distance) P-C4' energy: -55.218 flat angles C4'-P-C4' energy: -50.947 flat angles P-C4'-P energy: -45.108 tors. eta vs tors. theta energy: -90.542 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: 5 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1693.784019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.784019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.784019 (E_RNA) where: Base-Base interactions energy: -1251.074 where: short stacking energy: -471.429 Base-Backbone interact. energy: -0.968 local terms energy: -441.742182 where: bonds (distance) C4'-P energy: -70.886 bonds (distance) P-C4' energy: -65.334 flat angles C4'-P-C4' energy: -88.076 flat angles P-C4'-P energy: -69.852 tors. eta vs tors. theta energy: -147.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1579.978085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.978085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.978085 (E_RNA) where: Base-Base interactions energy: -1146.432 where: short stacking energy: -457.805 Base-Backbone interact. energy: -0.718 local terms energy: -432.828087 where: bonds (distance) C4'-P energy: -61.728 bonds (distance) P-C4' energy: -78.760 flat angles C4'-P-C4' energy: -88.306 flat angles P-C4'-P energy: -64.778 tors. eta vs tors. theta energy: -139.256 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: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1579.398160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.398160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.398160 (E_RNA) where: Base-Base interactions energy: -1154.340 where: short stacking energy: -457.651 Base-Backbone interact. energy: -1.316 local terms energy: -423.742462 where: bonds (distance) C4'-P energy: -74.937 bonds (distance) P-C4' energy: -75.390 flat angles C4'-P-C4' energy: -81.328 flat angles P-C4'-P energy: -58.381 tors. eta vs tors. theta energy: -133.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1554.878880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.878880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.878880 (E_RNA) where: Base-Base interactions energy: -1132.043 where: short stacking energy: -448.247 Base-Backbone interact. energy: -0.818 local terms energy: -422.018008 where: bonds (distance) C4'-P energy: -74.567 bonds (distance) P-C4' energy: -66.086 flat angles C4'-P-C4' energy: -86.029 flat angles P-C4'-P energy: -62.916 tors. eta vs tors. theta energy: -132.419 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: 10 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1479.732575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.732575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.732575 (E_RNA) where: Base-Base interactions energy: -1068.555 where: short stacking energy: -410.644 Base-Backbone interact. energy: -0.708 local terms energy: -410.469226 where: bonds (distance) C4'-P energy: -66.742 bonds (distance) P-C4' energy: -67.999 flat angles C4'-P-C4' energy: -88.784 flat angles P-C4'-P energy: -61.517 tors. eta vs tors. theta energy: -125.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1413.694737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.694737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.694737 (E_RNA) where: Base-Base interactions energy: -1052.676 where: short stacking energy: -422.600 Base-Backbone interact. energy: 5.577 local terms energy: -366.595877 where: bonds (distance) C4'-P energy: -55.624 bonds (distance) P-C4' energy: -66.280 flat angles C4'-P-C4' energy: -75.801 flat angles P-C4'-P energy: -47.197 tors. eta vs tors. theta energy: -121.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1370.495473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.495473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.495473 (E_RNA) where: Base-Base interactions energy: -987.100 where: short stacking energy: -384.932 Base-Backbone interact. energy: -0.809 local terms energy: -382.587148 where: bonds (distance) C4'-P energy: -69.731 bonds (distance) P-C4' energy: -63.079 flat angles C4'-P-C4' energy: -78.820 flat angles P-C4'-P energy: -53.747 tors. eta vs tors. theta energy: -117.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1356.278847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.278847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.278847 (E_RNA) where: Base-Base interactions energy: -1013.534 where: short stacking energy: -384.444 Base-Backbone interact. energy: -1.497 local terms energy: -341.247154 where: bonds (distance) C4'-P energy: -57.452 bonds (distance) P-C4' energy: -59.874 flat angles C4'-P-C4' energy: -68.718 flat angles P-C4'-P energy: -44.150 tors. eta vs tors. theta energy: -111.053 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: 374 Temperature: 1.300000 Total energy: -1258.787817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.787817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.787817 (E_RNA) where: Base-Base interactions energy: -910.770 where: short stacking energy: -348.492 Base-Backbone interact. energy: 0.019 local terms energy: -348.037221 where: bonds (distance) C4'-P energy: -56.896 bonds (distance) P-C4' energy: -68.282 flat angles C4'-P-C4' energy: -73.968 flat angles P-C4'-P energy: -45.998 tors. eta vs tors. theta energy: -102.894 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: 10, replica: 8 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1142.844218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.844218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.844218 (E_RNA) where: Base-Base interactions energy: -826.161 where: short stacking energy: -325.526 Base-Backbone interact. energy: -2.265 local terms energy: -314.418160 where: bonds (distance) C4'-P energy: -58.816 bonds (distance) P-C4' energy: -59.870 flat angles C4'-P-C4' energy: -77.081 flat angles P-C4'-P energy: -31.881 tors. eta vs tors. theta energy: -86.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1696.212236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.212236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.212236 (E_RNA) where: Base-Base interactions energy: -1250.234 where: short stacking energy: -500.721 Base-Backbone interact. energy: -1.002 local terms energy: -444.976335 where: bonds (distance) C4'-P energy: -73.955 bonds (distance) P-C4' energy: -71.832 flat angles C4'-P-C4' energy: -90.909 flat angles P-C4'-P energy: -62.552 tors. eta vs tors. theta energy: -145.728 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: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1594.624752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.624752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.624752 (E_RNA) where: Base-Base interactions energy: -1171.815 where: short stacking energy: -447.434 Base-Backbone interact. energy: 0.285 local terms energy: -423.094617 where: bonds (distance) C4'-P energy: -63.953 bonds (distance) P-C4' energy: -71.615 flat angles C4'-P-C4' energy: -86.024 flat angles P-C4'-P energy: -67.839 tors. eta vs tors. theta energy: -133.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1550.518246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.518246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.518246 (E_RNA) where: Base-Base interactions energy: -1131.910 where: short stacking energy: -452.449 Base-Backbone interact. energy: -0.494 local terms energy: -418.113918 where: bonds (distance) C4'-P energy: -70.144 bonds (distance) P-C4' energy: -73.822 flat angles C4'-P-C4' energy: -78.932 flat angles P-C4'-P energy: -59.677 tors. eta vs tors. theta energy: -135.540 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: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1564.294245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.294245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.294245 (E_RNA) where: Base-Base interactions energy: -1142.115 where: short stacking energy: -449.685 Base-Backbone interact. energy: 2.415 local terms energy: -424.593985 where: bonds (distance) C4'-P energy: -65.637 bonds (distance) P-C4' energy: -80.995 flat angles C4'-P-C4' energy: -88.149 flat angles P-C4'-P energy: -58.211 tors. eta vs tors. theta energy: -131.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1480.141139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.141139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.141139 (E_RNA) where: Base-Base interactions energy: -1069.772 where: short stacking energy: -406.967 Base-Backbone interact. energy: -2.293 local terms energy: -408.076766 where: bonds (distance) C4'-P energy: -76.842 bonds (distance) P-C4' energy: -67.375 flat angles C4'-P-C4' energy: -90.537 flat angles P-C4'-P energy: -50.987 tors. eta vs tors. theta energy: -122.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1412.905410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.905410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.905410 (E_RNA) where: Base-Base interactions energy: -1030.284 where: short stacking energy: -401.281 Base-Backbone interact. energy: 0.249 local terms energy: -382.870210 where: bonds (distance) C4'-P energy: -67.929 bonds (distance) P-C4' energy: -75.518 flat angles C4'-P-C4' energy: -70.405 flat angles P-C4'-P energy: -52.801 tors. eta vs tors. theta energy: -116.217 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: 7, replica: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1367.907926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.907926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.907926 (E_RNA) where: Base-Base interactions energy: -1003.331 where: short stacking energy: -382.072 Base-Backbone interact. energy: -0.535 local terms energy: -364.042564 where: bonds (distance) C4'-P energy: -66.973 bonds (distance) P-C4' energy: -60.091 flat angles C4'-P-C4' energy: -78.457 flat angles P-C4'-P energy: -48.759 tors. eta vs tors. theta energy: -109.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1345.690882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.690882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.690882 (E_RNA) where: Base-Base interactions energy: -982.588 where: short stacking energy: -367.603 Base-Backbone interact. energy: 7.050 local terms energy: -370.153051 where: bonds (distance) C4'-P energy: -69.438 bonds (distance) P-C4' energy: -48.197 flat angles C4'-P-C4' energy: -87.979 flat angles P-C4'-P energy: -57.325 tors. eta vs tors. theta energy: -107.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1249.879513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.879513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.879513 (E_RNA) where: Base-Base interactions energy: -926.191 where: short stacking energy: -356.461 Base-Backbone interact. energy: 0.790 local terms energy: -324.478707 where: bonds (distance) C4'-P energy: -44.159 bonds (distance) P-C4' energy: -66.735 flat angles C4'-P-C4' energy: -79.102 flat angles P-C4'-P energy: -39.222 tors. eta vs tors. theta energy: -95.262 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: 10, replica: 8 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1181.660059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.660059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.660059 (E_RNA) where: Base-Base interactions energy: -844.053 where: short stacking energy: -348.540 Base-Backbone interact. energy: 2.153 local terms energy: -339.759947 where: bonds (distance) C4'-P energy: -60.423 bonds (distance) P-C4' energy: -73.390 flat angles C4'-P-C4' energy: -68.009 flat angles P-C4'-P energy: -48.336 tors. eta vs tors. theta energy: -89.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1713.645201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.645201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.645201 (E_RNA) where: Base-Base interactions energy: -1241.912 where: short stacking energy: -485.454 Base-Backbone interact. energy: -0.012 local terms energy: -471.720431 where: bonds (distance) C4'-P energy: -75.538 bonds (distance) P-C4' energy: -80.108 flat angles C4'-P-C4' energy: -98.271 flat angles P-C4'-P energy: -69.826 tors. eta vs tors. theta energy: -147.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1607.386751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.386751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.386751 (E_RNA) where: Base-Base interactions energy: -1174.476 where: short stacking energy: -452.122 Base-Backbone interact. energy: 1.048 local terms energy: -433.959542 where: bonds (distance) C4'-P energy: -70.476 bonds (distance) P-C4' energy: -76.239 flat angles C4'-P-C4' energy: -89.934 flat angles P-C4'-P energy: -56.667 tors. eta vs tors. theta energy: -140.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1579.153173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.153173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.153173 (E_RNA) where: Base-Base interactions energy: -1138.865 where: short stacking energy: -442.716 Base-Backbone interact. energy: 0.143 local terms energy: -440.430284 where: bonds (distance) C4'-P energy: -83.605 bonds (distance) P-C4' energy: -80.229 flat angles C4'-P-C4' energy: -94.909 flat angles P-C4'-P energy: -51.596 tors. eta vs tors. theta energy: -130.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1522.330883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.330883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.330883 (E_RNA) where: Base-Base interactions energy: -1120.559 where: short stacking energy: -440.857 Base-Backbone interact. energy: -1.564 local terms energy: -400.207142 where: bonds (distance) C4'-P energy: -59.273 bonds (distance) P-C4' energy: -73.631 flat angles C4'-P-C4' energy: -82.865 flat angles P-C4'-P energy: -58.766 tors. eta vs tors. theta energy: -125.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1500.176893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.176893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.176893 (E_RNA) where: Base-Base interactions energy: -1079.911 where: short stacking energy: -420.326 Base-Backbone interact. energy: -0.884 local terms energy: -419.381333 where: bonds (distance) C4'-P energy: -68.676 bonds (distance) P-C4' energy: -78.349 flat angles C4'-P-C4' energy: -84.581 flat angles P-C4'-P energy: -55.242 tors. eta vs tors. theta energy: -132.534 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: 3 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1429.268641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.268641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.268641 (E_RNA) where: Base-Base interactions energy: -1035.516 where: short stacking energy: -414.657 Base-Backbone interact. energy: 0.153 local terms energy: -393.905786 where: bonds (distance) C4'-P energy: -70.189 bonds (distance) P-C4' energy: -53.713 flat angles C4'-P-C4' energy: -88.038 flat angles P-C4'-P energy: -65.416 tors. eta vs tors. theta energy: -116.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1397.671847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.671847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.671847 (E_RNA) where: Base-Base interactions energy: -1027.665 where: short stacking energy: -394.319 Base-Backbone interact. energy: 2.111 local terms energy: -372.117603 where: bonds (distance) C4'-P energy: -72.207 bonds (distance) P-C4' energy: -61.214 flat angles C4'-P-C4' energy: -78.962 flat angles P-C4'-P energy: -49.297 tors. eta vs tors. theta energy: -110.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1364.569958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.569958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.569958 (E_RNA) where: Base-Base interactions energy: -977.309 where: short stacking energy: -370.911 Base-Backbone interact. energy: -0.363 local terms energy: -386.897980 where: bonds (distance) C4'-P energy: -63.868 bonds (distance) P-C4' energy: -65.343 flat angles C4'-P-C4' energy: -85.927 flat angles P-C4'-P energy: -57.590 tors. eta vs tors. theta energy: -114.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1214.316594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.316594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.316594 (E_RNA) where: Base-Base interactions energy: -887.231 where: short stacking energy: -348.032 Base-Backbone interact. energy: 0.480 local terms energy: -327.565911 where: bonds (distance) C4'-P energy: -51.502 bonds (distance) P-C4' energy: -55.236 flat angles C4'-P-C4' energy: -73.199 flat angles P-C4'-P energy: -49.543 tors. eta vs tors. theta energy: -98.086 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: 8 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1142.631685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.631685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.631685 (E_RNA) where: Base-Base interactions energy: -792.426 where: short stacking energy: -330.920 Base-Backbone interact. energy: -0.042 local terms energy: -350.163186 where: bonds (distance) C4'-P energy: -67.992 bonds (distance) P-C4' energy: -55.063 flat angles C4'-P-C4' energy: -77.754 flat angles P-C4'-P energy: -53.258 tors. eta vs tors. theta energy: -96.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1704.398058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.398058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.398058 (E_RNA) where: Base-Base interactions energy: -1249.767 where: short stacking energy: -493.055 Base-Backbone interact. energy: -1.300 local terms energy: -453.331265 where: bonds (distance) C4'-P energy: -74.399 bonds (distance) P-C4' energy: -74.844 flat angles C4'-P-C4' energy: -87.924 flat angles P-C4'-P energy: -69.452 tors. eta vs tors. theta energy: -146.712 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: 6 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1604.301601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.301601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.301601 (E_RNA) where: Base-Base interactions energy: -1162.085 where: short stacking energy: -454.445 Base-Backbone interact. energy: -1.834 local terms energy: -440.382821 where: bonds (distance) C4'-P energy: -80.806 bonds (distance) P-C4' energy: -75.215 flat angles C4'-P-C4' energy: -93.702 flat angles P-C4'-P energy: -55.662 tors. eta vs tors. theta energy: -134.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1592.407494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.407494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.407494 (E_RNA) where: Base-Base interactions energy: -1148.036 where: short stacking energy: -447.636 Base-Backbone interact. energy: 1.996 local terms energy: -446.367407 where: bonds (distance) C4'-P energy: -72.083 bonds (distance) P-C4' energy: -78.374 flat angles C4'-P-C4' energy: -90.989 flat angles P-C4'-P energy: -69.326 tors. eta vs tors. theta energy: -135.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1518.258406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.258406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.258406 (E_RNA) where: Base-Base interactions energy: -1115.685 where: short stacking energy: -440.171 Base-Backbone interact. energy: -0.456 local terms energy: -402.118112 where: bonds (distance) C4'-P energy: -55.645 bonds (distance) P-C4' energy: -70.522 flat angles C4'-P-C4' energy: -88.289 flat angles P-C4'-P energy: -61.038 tors. eta vs tors. theta energy: -126.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1493.190000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.190000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.190000 (E_RNA) where: Base-Base interactions energy: -1090.357 where: short stacking energy: -424.503 Base-Backbone interact. energy: -0.680 local terms energy: -402.152184 where: bonds (distance) C4'-P energy: -65.594 bonds (distance) P-C4' energy: -70.422 flat angles C4'-P-C4' energy: -83.330 flat angles P-C4'-P energy: -58.175 tors. eta vs tors. theta energy: -124.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1455.144547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.144547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.144547 (E_RNA) where: Base-Base interactions energy: -1051.091 where: short stacking energy: -416.482 Base-Backbone interact. energy: -0.091 local terms energy: -403.962741 where: bonds (distance) C4'-P energy: -72.074 bonds (distance) P-C4' energy: -65.761 flat angles C4'-P-C4' energy: -79.967 flat angles P-C4'-P energy: -58.117 tors. eta vs tors. theta energy: -128.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1374.873595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.873595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.873595 (E_RNA) where: Base-Base interactions energy: -1013.587 where: short stacking energy: -384.860 Base-Backbone interact. energy: 3.141 local terms energy: -364.428166 where: bonds (distance) C4'-P energy: -51.374 bonds (distance) P-C4' energy: -70.026 flat angles C4'-P-C4' energy: -72.099 flat angles P-C4'-P energy: -56.990 tors. eta vs tors. theta energy: -113.940 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: 8, replica: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1343.933770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.933770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.933770 (E_RNA) where: Base-Base interactions energy: -1002.067 where: short stacking energy: -383.094 Base-Backbone interact. energy: -0.122 local terms energy: -341.745363 where: bonds (distance) C4'-P energy: -55.783 bonds (distance) P-C4' energy: -45.905 flat angles C4'-P-C4' energy: -79.029 flat angles P-C4'-P energy: -50.356 tors. eta vs tors. theta energy: -110.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1247.149200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.149200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.149200 (E_RNA) where: Base-Base interactions energy: -902.264 where: short stacking energy: -352.827 Base-Backbone interact. energy: 0.402 local terms energy: -345.286609 where: bonds (distance) C4'-P energy: -55.934 bonds (distance) P-C4' energy: -68.306 flat angles C4'-P-C4' energy: -68.628 flat angles P-C4'-P energy: -43.307 tors. eta vs tors. theta energy: -109.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1146.094419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.094419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.094419 (E_RNA) where: Base-Base interactions energy: -822.011 where: short stacking energy: -334.418 Base-Backbone interact. energy: -1.226 local terms energy: -322.857459 where: bonds (distance) C4'-P energy: -53.875 bonds (distance) P-C4' energy: -64.017 flat angles C4'-P-C4' energy: -71.198 flat angles P-C4'-P energy: -41.453 tors. eta vs tors. theta energy: -92.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1700.099109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.099109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.099109 (E_RNA) where: Base-Base interactions energy: -1242.742 where: short stacking energy: -483.132 Base-Backbone interact. energy: -0.478 local terms energy: -456.879362 where: bonds (distance) C4'-P energy: -71.931 bonds (distance) P-C4' energy: -77.691 flat angles C4'-P-C4' energy: -93.864 flat angles P-C4'-P energy: -68.022 tors. eta vs tors. theta energy: -145.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1593.886585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.886585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.886585 (E_RNA) where: Base-Base interactions energy: -1160.219 where: short stacking energy: -443.117 Base-Backbone interact. energy: 1.943 local terms energy: -435.610468 where: bonds (distance) C4'-P energy: -74.531 bonds (distance) P-C4' energy: -75.534 flat angles C4'-P-C4' energy: -86.536 flat angles P-C4'-P energy: -62.138 tors. eta vs tors. theta energy: -136.871 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: 2 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1569.860093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.860093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.860093 (E_RNA) where: Base-Base interactions energy: -1142.284 where: short stacking energy: -433.442 Base-Backbone interact. energy: 0.016 local terms energy: -427.591818 where: bonds (distance) C4'-P energy: -63.454 bonds (distance) P-C4' energy: -78.330 flat angles C4'-P-C4' energy: -86.943 flat angles P-C4'-P energy: -65.090 tors. eta vs tors. theta energy: -133.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1500.270762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.270762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.270762 (E_RNA) where: Base-Base interactions energy: -1075.619 where: short stacking energy: -432.592 Base-Backbone interact. energy: -0.222 local terms energy: -424.429750 where: bonds (distance) C4'-P energy: -79.391 bonds (distance) P-C4' energy: -67.982 flat angles C4'-P-C4' energy: -88.929 flat angles P-C4'-P energy: -61.813 tors. eta vs tors. theta energy: -126.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1503.556453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.556453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.556453 (E_RNA) where: Base-Base interactions energy: -1101.898 where: short stacking energy: -429.035 Base-Backbone interact. energy: 0.314 local terms energy: -401.973006 where: bonds (distance) C4'-P energy: -67.666 bonds (distance) P-C4' energy: -76.738 flat angles C4'-P-C4' energy: -84.825 flat angles P-C4'-P energy: -42.888 tors. eta vs tors. theta energy: -129.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1424.545438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.545438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.545438 (E_RNA) where: Base-Base interactions energy: -1035.225 where: short stacking energy: -405.650 Base-Backbone interact. energy: 0.337 local terms energy: -389.657079 where: bonds (distance) C4'-P energy: -55.366 bonds (distance) P-C4' energy: -63.938 flat angles C4'-P-C4' energy: -88.069 flat angles P-C4'-P energy: -56.590 tors. eta vs tors. theta energy: -125.693 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: 7, replica: 9 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1409.789028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.789028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.789028 (E_RNA) where: Base-Base interactions energy: -1029.764 where: short stacking energy: -400.859 Base-Backbone interact. energy: -0.841 local terms energy: -379.183829 where: bonds (distance) C4'-P energy: -62.152 bonds (distance) P-C4' energy: -68.503 flat angles C4'-P-C4' energy: -82.426 flat angles P-C4'-P energy: -54.415 tors. eta vs tors. theta energy: -111.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1314.938182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.938182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.938182 (E_RNA) where: Base-Base interactions energy: -958.444 where: short stacking energy: -379.185 Base-Backbone interact. energy: 0.651 local terms energy: -357.144480 where: bonds (distance) C4'-P energy: -57.779 bonds (distance) P-C4' energy: -81.091 flat angles C4'-P-C4' energy: -63.579 flat angles P-C4'-P energy: -48.876 tors. eta vs tors. theta energy: -105.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1255.952852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.952852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.952852 (E_RNA) where: Base-Base interactions energy: -909.341 where: short stacking energy: -355.364 Base-Backbone interact. energy: 0.001 local terms energy: -346.612739 where: bonds (distance) C4'-P energy: -57.784 bonds (distance) P-C4' energy: -66.508 flat angles C4'-P-C4' energy: -73.570 flat angles P-C4'-P energy: -39.463 tors. eta vs tors. theta energy: -109.288 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: 8 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1172.662955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.662955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.662955 (E_RNA) where: Base-Base interactions energy: -832.018 where: short stacking energy: -326.600 Base-Backbone interact. energy: -0.723 local terms energy: -339.921608 where: bonds (distance) C4'-P energy: -60.898 bonds (distance) P-C4' energy: -69.174 flat angles C4'-P-C4' energy: -64.924 flat angles P-C4'-P energy: -46.217 tors. eta vs tors. theta energy: -98.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1692.229674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.229674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.229674 (E_RNA) where: Base-Base interactions energy: -1238.868 where: short stacking energy: -481.425 Base-Backbone interact. energy: -0.027 local terms energy: -453.334229 where: bonds (distance) C4'-P energy: -81.346 bonds (distance) P-C4' energy: -75.830 flat angles C4'-P-C4' energy: -86.011 flat angles P-C4'-P energy: -66.263 tors. eta vs tors. theta energy: -143.885 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: 2, replica: 6 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1619.014859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.014859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.014859 (E_RNA) where: Base-Base interactions energy: -1180.234 where: short stacking energy: -463.440 Base-Backbone interact. energy: 8.607 local terms energy: -447.386962 where: bonds (distance) C4'-P energy: -81.296 bonds (distance) P-C4' energy: -74.104 flat angles C4'-P-C4' energy: -88.672 flat angles P-C4'-P energy: -62.751 tors. eta vs tors. theta energy: -140.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1569.913758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.913758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.913758 (E_RNA) where: Base-Base interactions energy: -1150.541 where: short stacking energy: -442.640 Base-Backbone interact. energy: -0.528 local terms energy: -418.844022 where: bonds (distance) C4'-P energy: -74.639 bonds (distance) P-C4' energy: -75.658 flat angles C4'-P-C4' energy: -81.232 flat angles P-C4'-P energy: -58.877 tors. eta vs tors. theta energy: -128.438 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: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1530.456331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.456331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.456331 (E_RNA) where: Base-Base interactions energy: -1126.476 where: short stacking energy: -437.437 Base-Backbone interact. energy: -1.255 local terms energy: -402.725331 where: bonds (distance) C4'-P energy: -62.135 bonds (distance) P-C4' energy: -61.914 flat angles C4'-P-C4' energy: -88.526 flat angles P-C4'-P energy: -58.033 tors. eta vs tors. theta energy: -132.117 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: 10 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1471.094373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.094373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.094373 (E_RNA) where: Base-Base interactions energy: -1067.655 where: short stacking energy: -431.551 Base-Backbone interact. energy: -0.493 local terms energy: -402.946629 where: bonds (distance) C4'-P energy: -66.815 bonds (distance) P-C4' energy: -68.869 flat angles C4'-P-C4' energy: -85.275 flat angles P-C4'-P energy: -53.667 tors. eta vs tors. theta energy: -128.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1452.099660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.099660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.099660 (E_RNA) where: Base-Base interactions energy: -1051.279 where: short stacking energy: -417.323 Base-Backbone interact. energy: -0.351 local terms energy: -400.469701 where: bonds (distance) C4'-P energy: -54.382 bonds (distance) P-C4' energy: -74.583 flat angles C4'-P-C4' energy: -92.097 flat angles P-C4'-P energy: -57.963 tors. eta vs tors. theta energy: -121.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1374.452812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.452812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.452812 (E_RNA) where: Base-Base interactions energy: -1011.643 where: short stacking energy: -402.578 Base-Backbone interact. energy: -0.172 local terms energy: -362.638017 where: bonds (distance) C4'-P energy: -52.558 bonds (distance) P-C4' energy: -63.873 flat angles C4'-P-C4' energy: -74.160 flat angles P-C4'-P energy: -54.945 tors. eta vs tors. theta energy: -117.103 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: 379 Temperature: 1.250000 Total energy: -1288.974022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.974022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.974022 (E_RNA) where: Base-Base interactions energy: -912.456 where: short stacking energy: -354.852 Base-Backbone interact. energy: -0.453 local terms energy: -376.065210 where: bonds (distance) C4'-P energy: -66.868 bonds (distance) P-C4' energy: -62.672 flat angles C4'-P-C4' energy: -85.327 flat angles P-C4'-P energy: -47.672 tors. eta vs tors. theta energy: -113.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1253.124172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.124172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.124172 (E_RNA) where: Base-Base interactions energy: -917.306 where: short stacking energy: -353.318 Base-Backbone interact. energy: 0.509 local terms energy: -336.327243 where: bonds (distance) C4'-P energy: -40.778 bonds (distance) P-C4' energy: -70.065 flat angles C4'-P-C4' energy: -72.237 flat angles P-C4'-P energy: -49.542 tors. eta vs tors. theta energy: -103.705 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: 10, replica: 8 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1142.222725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.222725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.222725 (E_RNA) where: Base-Base interactions energy: -822.231 where: short stacking energy: -318.026 Base-Backbone interact. energy: 3.300 local terms energy: -323.291295 where: bonds (distance) C4'-P energy: -68.562 bonds (distance) P-C4' energy: -60.012 flat angles C4'-P-C4' energy: -65.149 flat angles P-C4'-P energy: -36.890 tors. eta vs tors. theta energy: -92.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1715.350960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.350960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.350960 (E_RNA) where: Base-Base interactions energy: -1251.453 where: short stacking energy: -494.183 Base-Backbone interact. energy: 0.112 local terms energy: -464.009823 where: bonds (distance) C4'-P energy: -78.700 bonds (distance) P-C4' energy: -69.967 flat angles C4'-P-C4' energy: -96.096 flat angles P-C4'-P energy: -71.126 tors. eta vs tors. theta energy: -148.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1600.108580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.108580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.108580 (E_RNA) where: Base-Base interactions energy: -1160.530 where: short stacking energy: -453.714 Base-Backbone interact. energy: 6.763 local terms energy: -446.341535 where: bonds (distance) C4'-P energy: -80.555 bonds (distance) P-C4' energy: -79.684 flat angles C4'-P-C4' energy: -90.579 flat angles P-C4'-P energy: -62.784 tors. eta vs tors. theta energy: -132.740 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: 380 Temperature: 1.000000 Total energy: -1597.129038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.129038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.129038 (E_RNA) where: Base-Base interactions energy: -1140.322 where: short stacking energy: -449.959 Base-Backbone interact. energy: -2.070 local terms energy: -454.736889 where: bonds (distance) C4'-P energy: -75.982 bonds (distance) P-C4' energy: -75.990 flat angles C4'-P-C4' energy: -97.544 flat angles P-C4'-P energy: -67.662 tors. eta vs tors. theta energy: -137.558 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: 1 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1528.823714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.823714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.823714 (E_RNA) where: Base-Base interactions energy: -1145.406 where: short stacking energy: -453.545 Base-Backbone interact. energy: -0.122 local terms energy: -383.296165 where: bonds (distance) C4'-P energy: -61.773 bonds (distance) P-C4' energy: -60.436 flat angles C4'-P-C4' energy: -80.690 flat angles P-C4'-P energy: -53.698 tors. eta vs tors. theta energy: -126.700 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: 380 Temperature: 1.100000 Total energy: -1486.791731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.791731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.791731 (E_RNA) where: Base-Base interactions energy: -1103.307 where: short stacking energy: -424.281 Base-Backbone interact. energy: -1.143 local terms energy: -382.341089 where: bonds (distance) C4'-P energy: -50.443 bonds (distance) P-C4' energy: -65.893 flat angles C4'-P-C4' energy: -80.737 flat angles P-C4'-P energy: -60.399 tors. eta vs tors. theta energy: -124.869 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: 10 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1453.632613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.632613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.632613 (E_RNA) where: Base-Base interactions energy: -1066.994 where: short stacking energy: -410.126 Base-Backbone interact. energy: -0.827 local terms energy: -385.811641 where: bonds (distance) C4'-P energy: -67.409 bonds (distance) P-C4' energy: -59.228 flat angles C4'-P-C4' energy: -81.886 flat angles P-C4'-P energy: -52.045 tors. eta vs tors. theta energy: -125.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1413.157616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.157616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.157616 (E_RNA) where: Base-Base interactions energy: -1032.307 where: short stacking energy: -403.794 Base-Backbone interact. energy: -0.928 local terms energy: -379.923347 where: bonds (distance) C4'-P energy: -67.351 bonds (distance) P-C4' energy: -67.363 flat angles C4'-P-C4' energy: -82.198 flat angles P-C4'-P energy: -50.183 tors. eta vs tors. theta energy: -112.828 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: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1271.333317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.333317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.333317 (E_RNA) where: Base-Base interactions energy: -928.776 where: short stacking energy: -370.940 Base-Backbone interact. energy: 1.149 local terms energy: -343.705792 where: bonds (distance) C4'-P energy: -59.436 bonds (distance) P-C4' energy: -54.955 flat angles C4'-P-C4' energy: -68.133 flat angles P-C4'-P energy: -50.534 tors. eta vs tors. theta energy: -110.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1259.629445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.629445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.629445 (E_RNA) where: Base-Base interactions energy: -918.270 where: short stacking energy: -363.860 Base-Backbone interact. energy: 3.557 local terms energy: -344.916729 where: bonds (distance) C4'-P energy: -56.930 bonds (distance) P-C4' energy: -60.763 flat angles C4'-P-C4' energy: -79.083 flat angles P-C4'-P energy: -45.757 tors. eta vs tors. theta energy: -102.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1129.596083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.596083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.596083 (E_RNA) where: Base-Base interactions energy: -794.991 where: short stacking energy: -317.719 Base-Backbone interact. energy: -0.291 local terms energy: -334.313198 where: bonds (distance) C4'-P energy: -70.656 bonds (distance) P-C4' energy: -58.151 flat angles C4'-P-C4' energy: -76.104 flat angles P-C4'-P energy: -32.523 tors. eta vs tors. theta energy: -96.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1703.580973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.580973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.580973 (E_RNA) where: Base-Base interactions energy: -1247.679 where: short stacking energy: -483.659 Base-Backbone interact. energy: -0.047 local terms energy: -455.854433 where: bonds (distance) C4'-P energy: -77.204 bonds (distance) P-C4' energy: -77.067 flat angles C4'-P-C4' energy: -87.691 flat angles P-C4'-P energy: -67.276 tors. eta vs tors. theta energy: -146.616 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: 6 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1601.590596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.590596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.590596 (E_RNA) where: Base-Base interactions energy: -1166.819 where: short stacking energy: -451.307 Base-Backbone interact. energy: 5.022 local terms energy: -439.793391 where: bonds (distance) C4'-P energy: -75.187 bonds (distance) P-C4' energy: -78.396 flat angles C4'-P-C4' energy: -87.894 flat angles P-C4'-P energy: -67.418 tors. eta vs tors. theta energy: -130.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1569.833867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.833867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.833867 (E_RNA) where: Base-Base interactions energy: -1148.522 where: short stacking energy: -440.509 Base-Backbone interact. energy: -1.149 local terms energy: -420.163611 where: bonds (distance) C4'-P energy: -63.005 bonds (distance) P-C4' energy: -83.901 flat angles C4'-P-C4' energy: -84.862 flat angles P-C4'-P energy: -54.929 tors. eta vs tors. theta energy: -133.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1524.464468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.464468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.464468 (E_RNA) where: Base-Base interactions energy: -1102.919 where: short stacking energy: -420.580 Base-Backbone interact. energy: 0.027 local terms energy: -421.573024 where: bonds (distance) C4'-P energy: -72.638 bonds (distance) P-C4' energy: -84.970 flat angles C4'-P-C4' energy: -86.111 flat angles P-C4'-P energy: -53.678 tors. eta vs tors. theta energy: -124.177 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: 381 Temperature: 1.100000 Total energy: -1507.879584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.879584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.879584 (E_RNA) where: Base-Base interactions energy: -1106.575 where: short stacking energy: -437.021 Base-Backbone interact. energy: -0.083 local terms energy: -401.221394 where: bonds (distance) C4'-P energy: -64.669 bonds (distance) P-C4' energy: -63.779 flat angles C4'-P-C4' energy: -77.562 flat angles P-C4'-P energy: -67.948 tors. eta vs tors. theta energy: -127.264 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: 10 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1448.638185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.638185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.638185 (E_RNA) where: Base-Base interactions energy: -1065.801 where: short stacking energy: -417.304 Base-Backbone interact. energy: -1.457 local terms energy: -381.379455 where: bonds (distance) C4'-P energy: -55.375 bonds (distance) P-C4' energy: -62.260 flat angles C4'-P-C4' energy: -83.595 flat angles P-C4'-P energy: -55.767 tors. eta vs tors. theta energy: -124.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1397.949830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.949830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.949830 (E_RNA) where: Base-Base interactions energy: -1044.422 where: short stacking energy: -397.798 Base-Backbone interact. energy: 2.308 local terms energy: -355.836540 where: bonds (distance) C4'-P energy: -56.507 bonds (distance) P-C4' energy: -56.910 flat angles C4'-P-C4' energy: -86.525 flat angles P-C4'-P energy: -47.156 tors. eta vs tors. theta energy: -108.738 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: 8, replica: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1319.953540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.953540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.953540 (E_RNA) where: Base-Base interactions energy: -951.229 where: short stacking energy: -363.360 Base-Backbone interact. energy: 8.798 local terms energy: -377.522705 where: bonds (distance) C4'-P energy: -73.440 bonds (distance) P-C4' energy: -65.213 flat angles C4'-P-C4' energy: -80.112 flat angles P-C4'-P energy: -49.604 tors. eta vs tors. theta energy: -109.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1231.815353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.815353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.815353 (E_RNA) where: Base-Base interactions energy: -862.313 where: short stacking energy: -352.849 Base-Backbone interact. energy: -0.497 local terms energy: -369.006028 where: bonds (distance) C4'-P energy: -57.877 bonds (distance) P-C4' energy: -74.159 flat angles C4'-P-C4' energy: -78.368 flat angles P-C4'-P energy: -54.644 tors. eta vs tors. theta energy: -103.958 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: 8 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1167.604321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.604321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.604321 (E_RNA) where: Base-Base interactions energy: -839.980 where: short stacking energy: -336.932 Base-Backbone interact. energy: -0.767 local terms energy: -326.856734 where: bonds (distance) C4'-P energy: -50.352 bonds (distance) P-C4' energy: -65.329 flat angles C4'-P-C4' energy: -78.499 flat angles P-C4'-P energy: -39.441 tors. eta vs tors. theta energy: -93.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1695.198202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.198202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.198202 (E_RNA) where: Base-Base interactions energy: -1253.519 where: short stacking energy: -494.366 Base-Backbone interact. energy: -0.105 local terms energy: -441.573990 where: bonds (distance) C4'-P energy: -83.692 bonds (distance) P-C4' energy: -56.804 flat angles C4'-P-C4' energy: -86.910 flat angles P-C4'-P energy: -65.015 tors. eta vs tors. theta energy: -149.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1605.920429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.920429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.920429 (E_RNA) where: Base-Base interactions energy: -1181.836 where: short stacking energy: -464.976 Base-Backbone interact. energy: 4.352 local terms energy: -428.436293 where: bonds (distance) C4'-P energy: -66.889 bonds (distance) P-C4' energy: -83.080 flat angles C4'-P-C4' energy: -88.959 flat angles P-C4'-P energy: -56.323 tors. eta vs tors. theta energy: -133.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1568.198237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.198237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.198237 (E_RNA) where: Base-Base interactions energy: -1141.563 where: short stacking energy: -449.495 Base-Backbone interact. energy: -1.100 local terms energy: -425.535281 where: bonds (distance) C4'-P energy: -63.902 bonds (distance) P-C4' energy: -78.569 flat angles C4'-P-C4' energy: -89.152 flat angles P-C4'-P energy: -60.235 tors. eta vs tors. theta energy: -133.677 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: 4, replica: 3 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1529.222902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.222902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.222902 (E_RNA) where: Base-Base interactions energy: -1112.740 where: short stacking energy: -429.757 Base-Backbone interact. energy: -0.290 local terms energy: -416.193277 where: bonds (distance) C4'-P energy: -63.513 bonds (distance) P-C4' energy: -73.744 flat angles C4'-P-C4' energy: -94.220 flat angles P-C4'-P energy: -57.236 tors. eta vs tors. theta energy: -127.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1514.979596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.979596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.979596 (E_RNA) where: Base-Base interactions energy: -1116.806 where: short stacking energy: -427.392 Base-Backbone interact. energy: -0.050 local terms energy: -398.123742 where: bonds (distance) C4'-P energy: -71.279 bonds (distance) P-C4' energy: -52.214 flat angles C4'-P-C4' energy: -82.833 flat angles P-C4'-P energy: -62.876 tors. eta vs tors. theta energy: -128.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1449.848855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.848855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.848855 (E_RNA) where: Base-Base interactions energy: -1065.527 where: short stacking energy: -424.197 Base-Backbone interact. energy: -1.245 local terms energy: -383.077065 where: bonds (distance) C4'-P energy: -71.512 bonds (distance) P-C4' energy: -58.633 flat angles C4'-P-C4' energy: -73.998 flat angles P-C4'-P energy: -50.875 tors. eta vs tors. theta energy: -128.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1384.861962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.861962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.861962 (E_RNA) where: Base-Base interactions energy: -1028.912 where: short stacking energy: -391.589 Base-Backbone interact. energy: 3.593 local terms energy: -359.542650 where: bonds (distance) C4'-P energy: -51.038 bonds (distance) P-C4' energy: -66.281 flat angles C4'-P-C4' energy: -79.725 flat angles P-C4'-P energy: -53.226 tors. eta vs tors. theta energy: -109.272 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: 8, replica: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1311.290790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.290790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.290790 (E_RNA) where: Base-Base interactions energy: -954.937 where: short stacking energy: -353.089 Base-Backbone interact. energy: 1.320 local terms energy: -357.673901 where: bonds (distance) C4'-P energy: -62.642 bonds (distance) P-C4' energy: -61.458 flat angles C4'-P-C4' energy: -82.106 flat angles P-C4'-P energy: -50.709 tors. eta vs tors. theta energy: -100.759 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: 9, replica: 7 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1223.410855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.410855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.410855 (E_RNA) where: Base-Base interactions energy: -863.816 where: short stacking energy: -335.803 Base-Backbone interact. energy: -1.023 local terms energy: -358.571436 where: bonds (distance) C4'-P energy: -59.615 bonds (distance) P-C4' energy: -68.052 flat angles C4'-P-C4' energy: -86.375 flat angles P-C4'-P energy: -46.661 tors. eta vs tors. theta energy: -97.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1123.460308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.460308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.460308 (E_RNA) where: Base-Base interactions energy: -782.632 where: short stacking energy: -311.846 Base-Backbone interact. energy: 0.269 local terms energy: -341.097360 where: bonds (distance) C4'-P energy: -67.219 bonds (distance) P-C4' energy: -70.965 flat angles C4'-P-C4' energy: -67.321 flat angles P-C4'-P energy: -48.313 tors. eta vs tors. theta energy: -87.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1708.445232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.445232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.445232 (E_RNA) where: Base-Base interactions energy: -1243.370 where: short stacking energy: -490.461 Base-Backbone interact. energy: -1.598 local terms energy: -463.476868 where: bonds (distance) C4'-P energy: -69.226 bonds (distance) P-C4' energy: -75.735 flat angles C4'-P-C4' energy: -97.177 flat angles P-C4'-P energy: -69.989 tors. eta vs tors. theta energy: -151.350 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: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1589.836277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.836277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.836277 (E_RNA) where: Base-Base interactions energy: -1151.395 where: short stacking energy: -449.514 Base-Backbone interact. energy: 0.635 local terms energy: -439.076135 where: bonds (distance) C4'-P energy: -77.114 bonds (distance) P-C4' energy: -79.502 flat angles C4'-P-C4' energy: -91.250 flat angles P-C4'-P energy: -52.624 tors. eta vs tors. theta energy: -138.587 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: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1556.587138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.587138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.587138 (E_RNA) where: Base-Base interactions energy: -1124.865 where: short stacking energy: -437.315 Base-Backbone interact. energy: -0.527 local terms energy: -431.194825 where: bonds (distance) C4'-P energy: -70.297 bonds (distance) P-C4' energy: -71.945 flat angles C4'-P-C4' energy: -91.497 flat angles P-C4'-P energy: -62.079 tors. eta vs tors. theta energy: -135.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1538.997572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.997572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.997572 (E_RNA) where: Base-Base interactions energy: -1125.014 where: short stacking energy: -444.444 Base-Backbone interact. energy: -0.531 local terms energy: -413.452937 where: bonds (distance) C4'-P energy: -68.405 bonds (distance) P-C4' energy: -69.196 flat angles C4'-P-C4' energy: -77.284 flat angles P-C4'-P energy: -66.733 tors. eta vs tors. theta energy: -131.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1487.245397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.245397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.245397 (E_RNA) where: Base-Base interactions energy: -1085.401 where: short stacking energy: -437.034 Base-Backbone interact. energy: -0.210 local terms energy: -401.633885 where: bonds (distance) C4'-P energy: -51.101 bonds (distance) P-C4' energy: -76.885 flat angles C4'-P-C4' energy: -82.518 flat angles P-C4'-P energy: -63.987 tors. eta vs tors. theta energy: -127.143 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: 10 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1460.326314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.326314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.326314 (E_RNA) where: Base-Base interactions energy: -1070.316 where: short stacking energy: -419.816 Base-Backbone interact. energy: -0.477 local terms energy: -389.533545 where: bonds (distance) C4'-P energy: -60.402 bonds (distance) P-C4' energy: -71.473 flat angles C4'-P-C4' energy: -84.368 flat angles P-C4'-P energy: -52.565 tors. eta vs tors. theta energy: -120.726 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: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1388.868035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.868035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.868035 (E_RNA) where: Base-Base interactions energy: -1017.798 where: short stacking energy: -384.261 Base-Backbone interact. energy: -1.332 local terms energy: -369.737796 where: bonds (distance) C4'-P energy: -64.207 bonds (distance) P-C4' energy: -62.840 flat angles C4'-P-C4' energy: -81.034 flat angles P-C4'-P energy: -56.268 tors. eta vs tors. theta energy: -105.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1276.250188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.250188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.250188 (E_RNA) where: Base-Base interactions energy: -916.030 where: short stacking energy: -358.177 Base-Backbone interact. energy: -0.276 local terms energy: -359.943352 where: bonds (distance) C4'-P energy: -66.786 bonds (distance) P-C4' energy: -61.936 flat angles C4'-P-C4' energy: -77.017 flat angles P-C4'-P energy: -51.869 tors. eta vs tors. theta energy: -102.336 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: 383 Temperature: 1.300000 Total energy: -1287.449648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.449648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.449648 (E_RNA) where: Base-Base interactions energy: -929.063 where: short stacking energy: -352.431 Base-Backbone interact. energy: -1.158 local terms energy: -357.228774 where: bonds (distance) C4'-P energy: -66.957 bonds (distance) P-C4' energy: -61.183 flat angles C4'-P-C4' energy: -77.520 flat angles P-C4'-P energy: -52.789 tors. eta vs tors. theta energy: -98.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1145.370338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.370338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.370338 (E_RNA) where: Base-Base interactions energy: -816.014 where: short stacking energy: -318.217 Base-Backbone interact. energy: 0.862 local terms energy: -330.218009 where: bonds (distance) C4'-P energy: -66.780 bonds (distance) P-C4' energy: -58.147 flat angles C4'-P-C4' energy: -70.152 flat angles P-C4'-P energy: -43.695 tors. eta vs tors. theta energy: -91.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1706.681725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.681725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.681725 (E_RNA) where: Base-Base interactions energy: -1244.984 where: short stacking energy: -491.428 Base-Backbone interact. energy: -0.041 local terms energy: -461.656582 where: bonds (distance) C4'-P energy: -72.068 bonds (distance) P-C4' energy: -79.195 flat angles C4'-P-C4' energy: -93.924 flat angles P-C4'-P energy: -69.623 tors. eta vs tors. theta energy: -146.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1601.083431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.083431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.083431 (E_RNA) where: Base-Base interactions energy: -1159.017 where: short stacking energy: -443.467 Base-Backbone interact. energy: -2.009 local terms energy: -440.056902 where: bonds (distance) C4'-P energy: -70.584 bonds (distance) P-C4' energy: -73.450 flat angles C4'-P-C4' energy: -93.422 flat angles P-C4'-P energy: -68.027 tors. eta vs tors. theta energy: -134.574 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: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1567.076386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.076386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.076386 (E_RNA) where: Base-Base interactions energy: -1126.358 where: short stacking energy: -442.278 Base-Backbone interact. energy: 0.549 local terms energy: -441.267385 where: bonds (distance) C4'-P energy: -75.302 bonds (distance) P-C4' energy: -81.355 flat angles C4'-P-C4' energy: -97.208 flat angles P-C4'-P energy: -62.821 tors. eta vs tors. theta energy: -124.581 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: 4, replica: 1 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1522.167948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.167948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.167948 (E_RNA) where: Base-Base interactions energy: -1108.421 where: short stacking energy: -431.683 Base-Backbone interact. energy: 0.064 local terms energy: -413.810720 where: bonds (distance) C4'-P energy: -66.217 bonds (distance) P-C4' energy: -74.081 flat angles C4'-P-C4' energy: -83.913 flat angles P-C4'-P energy: -57.923 tors. eta vs tors. theta energy: -131.677 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: 384 Temperature: 1.100000 Total energy: -1495.868995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.868995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.868995 (E_RNA) where: Base-Base interactions energy: -1091.371 where: short stacking energy: -420.446 Base-Backbone interact. energy: -1.325 local terms energy: -403.172538 where: bonds (distance) C4'-P energy: -56.998 bonds (distance) P-C4' energy: -79.862 flat angles C4'-P-C4' energy: -87.943 flat angles P-C4'-P energy: -56.286 tors. eta vs tors. theta energy: -122.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1442.263011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.263011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.263011 (E_RNA) where: Base-Base interactions energy: -1064.437 where: short stacking energy: -409.591 Base-Backbone interact. energy: -0.358 local terms energy: -377.467919 where: bonds (distance) C4'-P energy: -64.318 bonds (distance) P-C4' energy: -60.984 flat angles C4'-P-C4' energy: -76.621 flat angles P-C4'-P energy: -56.699 tors. eta vs tors. theta energy: -118.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1374.478305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.478305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.478305 (E_RNA) where: Base-Base interactions energy: -1003.365 where: short stacking energy: -383.245 Base-Backbone interact. energy: -0.458 local terms energy: -370.655770 where: bonds (distance) C4'-P energy: -64.087 bonds (distance) P-C4' energy: -62.397 flat angles C4'-P-C4' energy: -78.414 flat angles P-C4'-P energy: -56.637 tors. eta vs tors. theta energy: -109.121 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: 8, replica: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1300.593617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.593617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.593617 (E_RNA) where: Base-Base interactions energy: -932.839 where: short stacking energy: -358.055 Base-Backbone interact. energy: -0.132 local terms energy: -367.622739 where: bonds (distance) C4'-P energy: -69.755 bonds (distance) P-C4' energy: -64.227 flat angles C4'-P-C4' energy: -68.568 flat angles P-C4'-P energy: -58.327 tors. eta vs tors. theta energy: -106.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1298.739983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.739983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.739983 (E_RNA) where: Base-Base interactions energy: -963.650 where: short stacking energy: -365.272 Base-Backbone interact. energy: 0.477 local terms energy: -335.566785 where: bonds (distance) C4'-P energy: -62.082 bonds (distance) P-C4' energy: -49.919 flat angles C4'-P-C4' energy: -72.071 flat angles P-C4'-P energy: -44.041 tors. eta vs tors. theta energy: -107.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1121.188795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.188795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.188795 (E_RNA) where: Base-Base interactions energy: -808.996 where: short stacking energy: -331.746 Base-Backbone interact. energy: -1.352 local terms energy: -310.840667 where: bonds (distance) C4'-P energy: -47.891 bonds (distance) P-C4' energy: -60.077 flat angles C4'-P-C4' energy: -64.616 flat angles P-C4'-P energy: -47.540 tors. eta vs tors. theta energy: -90.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1701.266986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.266986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.266986 (E_RNA) where: Base-Base interactions energy: -1257.732 where: short stacking energy: -491.845 Base-Backbone interact. energy: -0.488 local terms energy: -443.046826 where: bonds (distance) C4'-P energy: -63.124 bonds (distance) P-C4' energy: -76.103 flat angles C4'-P-C4' energy: -90.668 flat angles P-C4'-P energy: -62.029 tors. eta vs tors. theta energy: -151.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1593.799468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.799468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.799468 (E_RNA) where: Base-Base interactions energy: -1162.652 where: short stacking energy: -450.758 Base-Backbone interact. energy: -0.767 local terms energy: -430.380332 where: bonds (distance) C4'-P energy: -80.823 bonds (distance) P-C4' energy: -68.042 flat angles C4'-P-C4' energy: -88.347 flat angles P-C4'-P energy: -60.318 tors. eta vs tors. theta energy: -132.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1550.314600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.314600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.314600 (E_RNA) where: Base-Base interactions energy: -1114.606 where: short stacking energy: -441.865 Base-Backbone interact. energy: -1.345 local terms energy: -434.363851 where: bonds (distance) C4'-P energy: -74.215 bonds (distance) P-C4' energy: -64.897 flat angles C4'-P-C4' energy: -95.559 flat angles P-C4'-P energy: -62.636 tors. eta vs tors. theta energy: -137.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1532.049320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.049320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.049320 (E_RNA) where: Base-Base interactions energy: -1123.585 where: short stacking energy: -438.408 Base-Backbone interact. energy: 0.411 local terms energy: -408.876032 where: bonds (distance) C4'-P energy: -66.797 bonds (distance) P-C4' energy: -67.620 flat angles C4'-P-C4' energy: -84.999 flat angles P-C4'-P energy: -60.949 tors. eta vs tors. theta energy: -128.511 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: 3 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1506.315345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.315345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.315345 (E_RNA) where: Base-Base interactions energy: -1099.215 where: short stacking energy: -419.808 Base-Backbone interact. energy: -0.981 local terms energy: -406.119067 where: bonds (distance) C4'-P energy: -73.071 bonds (distance) P-C4' energy: -66.440 flat angles C4'-P-C4' energy: -83.294 flat angles P-C4'-P energy: -65.251 tors. eta vs tors. theta energy: -118.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1460.593513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.593513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.593513 (E_RNA) where: Base-Base interactions energy: -1051.666 where: short stacking energy: -412.890 Base-Backbone interact. energy: 2.590 local terms energy: -411.517211 where: bonds (distance) C4'-P energy: -66.298 bonds (distance) P-C4' energy: -71.805 flat angles C4'-P-C4' energy: -89.844 flat angles P-C4'-P energy: -56.354 tors. eta vs tors. theta energy: -127.217 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: 7, replica: 9 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1386.785330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.785330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.785330 (E_RNA) where: Base-Base interactions energy: -1027.508 where: short stacking energy: -401.926 Base-Backbone interact. energy: -1.167 local terms energy: -358.110416 where: bonds (distance) C4'-P energy: -61.793 bonds (distance) P-C4' energy: -60.848 flat angles C4'-P-C4' energy: -77.194 flat angles P-C4'-P energy: -49.728 tors. eta vs tors. theta energy: -108.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1334.075268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.075268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.075268 (E_RNA) where: Base-Base interactions energy: -961.868 where: short stacking energy: -362.440 Base-Backbone interact. energy: -0.158 local terms energy: -372.049649 where: bonds (distance) C4'-P energy: -63.942 bonds (distance) P-C4' energy: -63.807 flat angles C4'-P-C4' energy: -78.719 flat angles P-C4'-P energy: -55.850 tors. eta vs tors. theta energy: -109.732 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: 385 Temperature: 1.300000 Total energy: -1229.731633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.731633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.731633 (E_RNA) where: Base-Base interactions energy: -880.150 where: short stacking energy: -339.254 Base-Backbone interact. energy: -0.702 local terms energy: -348.879897 where: bonds (distance) C4'-P energy: -64.638 bonds (distance) P-C4' energy: -64.164 flat angles C4'-P-C4' energy: -75.493 flat angles P-C4'-P energy: -44.560 tors. eta vs tors. theta energy: -100.024 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: 8 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1140.274006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.274006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.274006 (E_RNA) where: Base-Base interactions energy: -802.166 where: short stacking energy: -319.280 Base-Backbone interact. energy: -1.191 local terms energy: -336.917262 where: bonds (distance) C4'-P energy: -70.298 bonds (distance) P-C4' energy: -66.114 flat angles C4'-P-C4' energy: -73.362 flat angles P-C4'-P energy: -41.460 tors. eta vs tors. theta energy: -85.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1716.356938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.356938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.356938 (E_RNA) where: Base-Base interactions energy: -1254.303 where: short stacking energy: -494.927 Base-Backbone interact. energy: -0.111 local terms energy: -461.942772 where: bonds (distance) C4'-P energy: -77.162 bonds (distance) P-C4' energy: -67.780 flat angles C4'-P-C4' energy: -97.446 flat angles P-C4'-P energy: -67.309 tors. eta vs tors. theta energy: -152.246 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: 2, replica: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1593.591847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.591847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.591847 (E_RNA) where: Base-Base interactions energy: -1151.785 where: short stacking energy: -445.328 Base-Backbone interact. energy: -0.696 local terms energy: -441.110649 where: bonds (distance) C4'-P energy: -62.690 bonds (distance) P-C4' energy: -85.134 flat angles C4'-P-C4' energy: -86.119 flat angles P-C4'-P energy: -65.032 tors. eta vs tors. theta energy: -142.136 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: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1566.080793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.080793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.080793 (E_RNA) where: Base-Base interactions energy: -1135.041 where: short stacking energy: -455.213 Base-Backbone interact. energy: -0.994 local terms energy: -430.045122 where: bonds (distance) C4'-P energy: -69.485 bonds (distance) P-C4' energy: -69.375 flat angles C4'-P-C4' energy: -92.775 flat angles P-C4'-P energy: -62.518 tors. eta vs tors. theta energy: -135.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1547.230427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.230427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.230427 (E_RNA) where: Base-Base interactions energy: -1117.187 where: short stacking energy: -446.424 Base-Backbone interact. energy: 0.210 local terms energy: -430.254062 where: bonds (distance) C4'-P energy: -78.340 bonds (distance) P-C4' energy: -70.972 flat angles C4'-P-C4' energy: -91.381 flat angles P-C4'-P energy: -56.597 tors. eta vs tors. theta energy: -132.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1496.999737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.999737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.999737 (E_RNA) where: Base-Base interactions energy: -1075.713 where: short stacking energy: -423.486 Base-Backbone interact. energy: -0.227 local terms energy: -421.059973 where: bonds (distance) C4'-P energy: -69.887 bonds (distance) P-C4' energy: -74.855 flat angles C4'-P-C4' energy: -86.819 flat angles P-C4'-P energy: -60.420 tors. eta vs tors. theta energy: -129.078 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: 6, replica: 10 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1428.959935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.959935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.959935 (E_RNA) where: Base-Base interactions energy: -1036.059 where: short stacking energy: -412.718 Base-Backbone interact. energy: -0.404 local terms energy: -392.497065 where: bonds (distance) C4'-P energy: -57.220 bonds (distance) P-C4' energy: -70.519 flat angles C4'-P-C4' energy: -84.142 flat angles P-C4'-P energy: -56.991 tors. eta vs tors. theta energy: -123.625 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: 7, replica: 4 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1402.541923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.541923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.541923 (E_RNA) where: Base-Base interactions energy: -1033.276 where: short stacking energy: -396.626 Base-Backbone interact. energy: -0.849 local terms energy: -368.417422 where: bonds (distance) C4'-P energy: -58.990 bonds (distance) P-C4' energy: -58.485 flat angles C4'-P-C4' energy: -83.186 flat angles P-C4'-P energy: -56.776 tors. eta vs tors. theta energy: -110.980 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: 9 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1351.044933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.044933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.044933 (E_RNA) where: Base-Base interactions energy: -997.767 where: short stacking energy: -380.465 Base-Backbone interact. energy: -0.901 local terms energy: -352.376824 where: bonds (distance) C4'-P energy: -47.677 bonds (distance) P-C4' energy: -58.089 flat angles C4'-P-C4' energy: -74.080 flat angles P-C4'-P energy: -53.156 tors. eta vs tors. theta energy: -119.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1192.239819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.239819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.239819 (E_RNA) where: Base-Base interactions energy: -882.314 where: short stacking energy: -333.050 Base-Backbone interact. energy: 3.030 local terms energy: -312.956501 where: bonds (distance) C4'-P energy: -49.435 bonds (distance) P-C4' energy: -57.571 flat angles C4'-P-C4' energy: -70.074 flat angles P-C4'-P energy: -44.316 tors. eta vs tors. theta energy: -91.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1199.159021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.159021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.159021 (E_RNA) where: Base-Base interactions energy: -851.359 where: short stacking energy: -321.356 Base-Backbone interact. energy: 0.080 local terms energy: -347.880419 where: bonds (distance) C4'-P energy: -80.505 bonds (distance) P-C4' energy: -54.593 flat angles C4'-P-C4' energy: -77.913 flat angles P-C4'-P energy: -43.251 tors. eta vs tors. theta energy: -91.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1704.082759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.082759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.082759 (E_RNA) where: Base-Base interactions energy: -1240.691 where: short stacking energy: -493.354 Base-Backbone interact. energy: 0.284 local terms energy: -463.675467 where: bonds (distance) C4'-P energy: -78.891 bonds (distance) P-C4' energy: -75.390 flat angles C4'-P-C4' energy: -93.402 flat angles P-C4'-P energy: -65.323 tors. eta vs tors. theta energy: -150.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1612.235707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.235707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.235707 (E_RNA) where: Base-Base interactions energy: -1175.321 where: short stacking energy: -457.896 Base-Backbone interact. energy: 5.961 local terms energy: -442.874852 where: bonds (distance) C4'-P energy: -70.929 bonds (distance) P-C4' energy: -83.942 flat angles C4'-P-C4' energy: -88.729 flat angles P-C4'-P energy: -63.186 tors. eta vs tors. theta energy: -136.088 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: 3, replica: 2 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1557.668469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.668469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.668469 (E_RNA) where: Base-Base interactions energy: -1126.451 where: short stacking energy: -442.275 Base-Backbone interact. energy: -0.112 local terms energy: -431.105826 where: bonds (distance) C4'-P energy: -74.778 bonds (distance) P-C4' energy: -73.994 flat angles C4'-P-C4' energy: -85.897 flat angles P-C4'-P energy: -65.265 tors. eta vs tors. theta energy: -131.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1538.105973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.105973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.105973 (E_RNA) where: Base-Base interactions energy: -1107.962 where: short stacking energy: -437.069 Base-Backbone interact. energy: -0.338 local terms energy: -429.806367 where: bonds (distance) C4'-P energy: -74.810 bonds (distance) P-C4' energy: -66.839 flat angles C4'-P-C4' energy: -95.162 flat angles P-C4'-P energy: -62.383 tors. eta vs tors. theta energy: -130.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1471.287618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.287618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.287618 (E_RNA) where: Base-Base interactions energy: -1079.932 where: short stacking energy: -414.630 Base-Backbone interact. energy: -0.569 local terms energy: -390.786839 where: bonds (distance) C4'-P energy: -62.423 bonds (distance) P-C4' energy: -52.638 flat angles C4'-P-C4' energy: -89.916 flat angles P-C4'-P energy: -63.326 tors. eta vs tors. theta energy: -122.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1470.910372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.910372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.910372 (E_RNA) where: Base-Base interactions energy: -1068.366 where: short stacking energy: -418.910 Base-Backbone interact. energy: -0.244 local terms energy: -402.300141 where: bonds (distance) C4'-P energy: -64.001 bonds (distance) P-C4' energy: -71.039 flat angles C4'-P-C4' energy: -85.260 flat angles P-C4'-P energy: -52.887 tors. eta vs tors. theta energy: -129.113 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: 4 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1388.103146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.103146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.103146 (E_RNA) where: Base-Base interactions energy: -991.828 where: short stacking energy: -383.287 Base-Backbone interact. energy: -0.614 local terms energy: -395.660573 where: bonds (distance) C4'-P energy: -57.011 bonds (distance) P-C4' energy: -71.479 flat angles C4'-P-C4' energy: -88.663 flat angles P-C4'-P energy: -59.270 tors. eta vs tors. theta energy: -119.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1363.040626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.040626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.040626 (E_RNA) where: Base-Base interactions energy: -999.525 where: short stacking energy: -371.873 Base-Backbone interact. energy: 1.200 local terms energy: -364.715278 where: bonds (distance) C4'-P energy: -64.530 bonds (distance) P-C4' energy: -66.929 flat angles C4'-P-C4' energy: -71.260 flat angles P-C4'-P energy: -57.006 tors. eta vs tors. theta energy: -104.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1193.381499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.381499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.381499 (E_RNA) where: Base-Base interactions energy: -822.754 where: short stacking energy: -326.982 Base-Backbone interact. energy: -0.841 local terms energy: -369.786099 where: bonds (distance) C4'-P energy: -69.759 bonds (distance) P-C4' energy: -70.616 flat angles C4'-P-C4' energy: -75.553 flat angles P-C4'-P energy: -58.074 tors. eta vs tors. theta energy: -95.785 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: 10, replica: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1158.339137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.339137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.339137 (E_RNA) where: Base-Base interactions energy: -852.489 where: short stacking energy: -332.456 Base-Backbone interact. energy: -0.231 local terms energy: -305.619079 where: bonds (distance) C4'-P energy: -56.788 bonds (distance) P-C4' energy: -61.715 flat angles C4'-P-C4' energy: -69.796 flat angles P-C4'-P energy: -29.873 tors. eta vs tors. theta energy: -87.446 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: 5 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1707.394446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.394446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.394446 (E_RNA) where: Base-Base interactions energy: -1254.118 where: short stacking energy: -488.029 Base-Backbone interact. energy: -0.123 local terms energy: -453.153379 where: bonds (distance) C4'-P energy: -78.101 bonds (distance) P-C4' energy: -78.520 flat angles C4'-P-C4' energy: -90.690 flat angles P-C4'-P energy: -62.207 tors. eta vs tors. theta energy: -143.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1598.056857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.056857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.056857 (E_RNA) where: Base-Base interactions energy: -1162.581 where: short stacking energy: -452.229 Base-Backbone interact. energy: 0.560 local terms energy: -436.035663 where: bonds (distance) C4'-P energy: -76.155 bonds (distance) P-C4' energy: -71.391 flat angles C4'-P-C4' energy: -92.053 flat angles P-C4'-P energy: -64.754 tors. eta vs tors. theta energy: -131.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1556.562024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.562024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.562024 (E_RNA) where: Base-Base interactions energy: -1115.073 where: short stacking energy: -437.943 Base-Backbone interact. energy: -0.894 local terms energy: -440.595724 where: bonds (distance) C4'-P energy: -73.146 bonds (distance) P-C4' energy: -77.776 flat angles C4'-P-C4' energy: -90.241 flat angles P-C4'-P energy: -66.318 tors. eta vs tors. theta energy: -133.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1538.726505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.726505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.726505 (E_RNA) where: Base-Base interactions energy: -1121.687 where: short stacking energy: -447.907 Base-Backbone interact. energy: -0.274 local terms energy: -416.765595 where: bonds (distance) C4'-P energy: -66.365 bonds (distance) P-C4' energy: -65.969 flat angles C4'-P-C4' energy: -90.481 flat angles P-C4'-P energy: -65.452 tors. eta vs tors. theta energy: -128.497 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: 3 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1492.122728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.122728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.122728 (E_RNA) where: Base-Base interactions energy: -1088.230 where: short stacking energy: -434.709 Base-Backbone interact. energy: -0.653 local terms energy: -403.239273 where: bonds (distance) C4'-P energy: -61.482 bonds (distance) P-C4' energy: -66.053 flat angles C4'-P-C4' energy: -90.465 flat angles P-C4'-P energy: -62.745 tors. eta vs tors. theta energy: -122.495 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: 10 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1480.784266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.784266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.784266 (E_RNA) where: Base-Base interactions energy: -1084.676 where: short stacking energy: -418.560 Base-Backbone interact. energy: -0.307 local terms energy: -395.801758 where: bonds (distance) C4'-P energy: -68.509 bonds (distance) P-C4' energy: -58.141 flat angles C4'-P-C4' energy: -79.592 flat angles P-C4'-P energy: -60.468 tors. eta vs tors. theta energy: -129.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1399.826695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.826695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.826695 (E_RNA) where: Base-Base interactions energy: -1016.413 where: short stacking energy: -392.099 Base-Backbone interact. energy: 1.420 local terms energy: -384.833074 where: bonds (distance) C4'-P energy: -53.711 bonds (distance) P-C4' energy: -67.103 flat angles C4'-P-C4' energy: -84.405 flat angles P-C4'-P energy: -67.396 tors. eta vs tors. theta energy: -112.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1377.008655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.008655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.008655 (E_RNA) where: Base-Base interactions energy: -984.400 where: short stacking energy: -387.802 Base-Backbone interact. energy: -0.288 local terms energy: -392.320628 where: bonds (distance) C4'-P energy: -64.352 bonds (distance) P-C4' energy: -83.884 flat angles C4'-P-C4' energy: -76.976 flat angles P-C4'-P energy: -56.260 tors. eta vs tors. theta energy: -110.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1187.832382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.832382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.832382 (E_RNA) where: Base-Base interactions energy: -838.822 where: short stacking energy: -334.288 Base-Backbone interact. energy: -0.638 local terms energy: -348.373219 where: bonds (distance) C4'-P energy: -59.637 bonds (distance) P-C4' energy: -70.970 flat angles C4'-P-C4' energy: -66.442 flat angles P-C4'-P energy: -55.886 tors. eta vs tors. theta energy: -95.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1246.995520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.995520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.995520 (E_RNA) where: Base-Base interactions energy: -877.314 where: short stacking energy: -343.464 Base-Backbone interact. energy: -1.917 local terms energy: -367.764690 where: bonds (distance) C4'-P energy: -68.567 bonds (distance) P-C4' energy: -64.506 flat angles C4'-P-C4' energy: -82.004 flat angles P-C4'-P energy: -52.970 tors. eta vs tors. theta energy: -99.717 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: 5 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1702.456714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.456714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.456714 (E_RNA) where: Base-Base interactions energy: -1234.579 where: short stacking energy: -480.563 Base-Backbone interact. energy: -0.860 local terms energy: -467.017174 where: bonds (distance) C4'-P energy: -80.822 bonds (distance) P-C4' energy: -70.466 flat angles C4'-P-C4' energy: -96.625 flat angles P-C4'-P energy: -68.938 tors. eta vs tors. theta energy: -150.166 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: 6 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1596.715140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.715140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.715140 (E_RNA) where: Base-Base interactions energy: -1148.716 where: short stacking energy: -454.686 Base-Backbone interact. energy: -1.137 local terms energy: -446.862537 where: bonds (distance) C4'-P energy: -79.872 bonds (distance) P-C4' energy: -80.965 flat angles C4'-P-C4' energy: -92.991 flat angles P-C4'-P energy: -58.328 tors. eta vs tors. theta energy: -134.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1560.367516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.367516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.367516 (E_RNA) where: Base-Base interactions energy: -1141.789 where: short stacking energy: -454.222 Base-Backbone interact. energy: -0.754 local terms energy: -417.824592 where: bonds (distance) C4'-P energy: -76.620 bonds (distance) P-C4' energy: -74.170 flat angles C4'-P-C4' energy: -81.951 flat angles P-C4'-P energy: -52.972 tors. eta vs tors. theta energy: -132.111 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: 1 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1536.151437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.151437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.151437 (E_RNA) where: Base-Base interactions energy: -1115.465 where: short stacking energy: -438.213 Base-Backbone interact. energy: -0.534 local terms energy: -420.152414 where: bonds (distance) C4'-P energy: -71.750 bonds (distance) P-C4' energy: -66.028 flat angles C4'-P-C4' energy: -92.455 flat angles P-C4'-P energy: -62.017 tors. eta vs tors. theta energy: -127.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1486.612452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.612452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.612452 (E_RNA) where: Base-Base interactions energy: -1099.683 where: short stacking energy: -432.879 Base-Backbone interact. energy: -1.715 local terms energy: -385.214556 where: bonds (distance) C4'-P energy: -68.622 bonds (distance) P-C4' energy: -59.655 flat angles C4'-P-C4' energy: -74.910 flat angles P-C4'-P energy: -64.822 tors. eta vs tors. theta energy: -117.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1470.152393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.152393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.152393 (E_RNA) where: Base-Base interactions energy: -1075.955 where: short stacking energy: -419.686 Base-Backbone interact. energy: 2.807 local terms energy: -397.003991 where: bonds (distance) C4'-P energy: -74.885 bonds (distance) P-C4' energy: -55.795 flat angles C4'-P-C4' energy: -88.053 flat angles P-C4'-P energy: -55.224 tors. eta vs tors. theta energy: -123.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1404.985948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.985948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.985948 (E_RNA) where: Base-Base interactions energy: -1029.856 where: short stacking energy: -393.140 Base-Backbone interact. energy: 2.416 local terms energy: -377.545829 where: bonds (distance) C4'-P energy: -70.058 bonds (distance) P-C4' energy: -67.599 flat angles C4'-P-C4' energy: -69.753 flat angles P-C4'-P energy: -59.082 tors. eta vs tors. theta energy: -111.054 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: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1302.866573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.866573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.866573 (E_RNA) where: Base-Base interactions energy: -954.989 where: short stacking energy: -352.099 Base-Backbone interact. energy: -0.047 local terms energy: -347.830798 where: bonds (distance) C4'-P energy: -63.493 bonds (distance) P-C4' energy: -65.607 flat angles C4'-P-C4' energy: -76.955 flat angles P-C4'-P energy: -40.968 tors. eta vs tors. theta energy: -100.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1181.886917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.886917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.886917 (E_RNA) where: Base-Base interactions energy: -846.309 where: short stacking energy: -341.247 Base-Backbone interact. energy: -0.686 local terms energy: -334.891928 where: bonds (distance) C4'-P energy: -59.513 bonds (distance) P-C4' energy: -54.263 flat angles C4'-P-C4' energy: -74.198 flat angles P-C4'-P energy: -51.006 tors. eta vs tors. theta energy: -95.912 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: 7 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1260.604596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.604596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.604596 (E_RNA) where: Base-Base interactions energy: -912.986 where: short stacking energy: -355.725 Base-Backbone interact. energy: 4.185 local terms energy: -351.803437 where: bonds (distance) C4'-P energy: -62.609 bonds (distance) P-C4' energy: -57.938 flat angles C4'-P-C4' energy: -82.370 flat angles P-C4'-P energy: -46.849 tors. eta vs tors. theta energy: -102.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1704.381195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.381195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.381195 (E_RNA) where: Base-Base interactions energy: -1243.495 where: short stacking energy: -477.840 Base-Backbone interact. energy: -0.608 local terms energy: -460.278198 where: bonds (distance) C4'-P energy: -71.693 bonds (distance) P-C4' energy: -75.163 flat angles C4'-P-C4' energy: -94.943 flat angles P-C4'-P energy: -69.128 tors. eta vs tors. theta energy: -149.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1585.726628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.726628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.726628 (E_RNA) where: Base-Base interactions energy: -1165.319 where: short stacking energy: -453.332 Base-Backbone interact. energy: -0.957 local terms energy: -419.450705 where: bonds (distance) C4'-P energy: -71.957 bonds (distance) P-C4' energy: -65.924 flat angles C4'-P-C4' energy: -87.108 flat angles P-C4'-P energy: -59.852 tors. eta vs tors. theta energy: -134.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1543.949820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.949820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.949820 (E_RNA) where: Base-Base interactions energy: -1119.997 where: short stacking energy: -445.472 Base-Backbone interact. energy: 0.001 local terms energy: -423.953432 where: bonds (distance) C4'-P energy: -71.590 bonds (distance) P-C4' energy: -79.902 flat angles C4'-P-C4' energy: -88.286 flat angles P-C4'-P energy: -51.896 tors. eta vs tors. theta energy: -132.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1551.979431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.979431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.979431 (E_RNA) where: Base-Base interactions energy: -1129.665 where: short stacking energy: -442.694 Base-Backbone interact. energy: -0.222 local terms energy: -422.092582 where: bonds (distance) C4'-P energy: -68.551 bonds (distance) P-C4' energy: -63.859 flat angles C4'-P-C4' energy: -86.957 flat angles P-C4'-P energy: -68.693 tors. eta vs tors. theta energy: -134.033 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: 10 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1470.027909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.027909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.027909 (E_RNA) where: Base-Base interactions energy: -1068.364 where: short stacking energy: -418.505 Base-Backbone interact. energy: -0.113 local terms energy: -401.550331 where: bonds (distance) C4'-P energy: -58.769 bonds (distance) P-C4' energy: -67.831 flat angles C4'-P-C4' energy: -83.221 flat angles P-C4'-P energy: -56.787 tors. eta vs tors. theta energy: -134.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1470.534677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.534677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.534677 (E_RNA) where: Base-Base interactions energy: -1083.306 where: short stacking energy: -420.980 Base-Backbone interact. energy: -0.508 local terms energy: -386.720330 where: bonds (distance) C4'-P energy: -64.771 bonds (distance) P-C4' energy: -65.634 flat angles C4'-P-C4' energy: -83.850 flat angles P-C4'-P energy: -52.808 tors. eta vs tors. theta energy: -119.658 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: 9 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1425.800483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.800483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.800483 (E_RNA) where: Base-Base interactions energy: -1054.719 where: short stacking energy: -407.271 Base-Backbone interact. energy: -1.384 local terms energy: -369.697857 where: bonds (distance) C4'-P energy: -65.944 bonds (distance) P-C4' energy: -54.947 flat angles C4'-P-C4' energy: -77.347 flat angles P-C4'-P energy: -53.693 tors. eta vs tors. theta energy: -117.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1331.791327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.791327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.791327 (E_RNA) where: Base-Base interactions energy: -972.205 where: short stacking energy: -389.545 Base-Backbone interact. energy: 0.417 local terms energy: -360.002822 where: bonds (distance) C4'-P energy: -51.354 bonds (distance) P-C4' energy: -72.326 flat angles C4'-P-C4' energy: -74.996 flat angles P-C4'-P energy: -53.848 tors. eta vs tors. theta energy: -107.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1271.393268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.393268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.393268 (E_RNA) where: Base-Base interactions energy: -924.107 where: short stacking energy: -351.515 Base-Backbone interact. energy: 4.268 local terms energy: -351.554307 where: bonds (distance) C4'-P energy: -60.384 bonds (distance) P-C4' energy: -64.034 flat angles C4'-P-C4' energy: -68.685 flat angles P-C4'-P energy: -50.713 tors. eta vs tors. theta energy: -107.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1116.122191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.122191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.122191 (E_RNA) where: Base-Base interactions energy: -784.668 where: short stacking energy: -299.045 Base-Backbone interact. energy: -0.729 local terms energy: -330.725088 where: bonds (distance) C4'-P energy: -65.903 bonds (distance) P-C4' energy: -64.913 flat angles C4'-P-C4' energy: -72.439 flat angles P-C4'-P energy: -48.157 tors. eta vs tors. theta energy: -79.313 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: 5 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1704.425481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.425481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.425481 (E_RNA) where: Base-Base interactions energy: -1256.814 where: short stacking energy: -501.230 Base-Backbone interact. energy: 0.591 local terms energy: -448.202249 where: bonds (distance) C4'-P energy: -69.821 bonds (distance) P-C4' energy: -71.896 flat angles C4'-P-C4' energy: -91.572 flat angles P-C4'-P energy: -68.248 tors. eta vs tors. theta energy: -146.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1592.398303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.398303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.398303 (E_RNA) where: Base-Base interactions energy: -1159.792 where: short stacking energy: -442.633 Base-Backbone interact. energy: 1.315 local terms energy: -433.920940 where: bonds (distance) C4'-P energy: -80.518 bonds (distance) P-C4' energy: -68.003 flat angles C4'-P-C4' energy: -90.201 flat angles P-C4'-P energy: -62.989 tors. eta vs tors. theta energy: -132.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1553.903053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.903053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.903053 (E_RNA) where: Base-Base interactions energy: -1139.253 where: short stacking energy: -452.392 Base-Backbone interact. energy: -0.176 local terms energy: -414.474138 where: bonds (distance) C4'-P energy: -63.647 bonds (distance) P-C4' energy: -68.228 flat angles C4'-P-C4' energy: -88.376 flat angles P-C4'-P energy: -64.928 tors. eta vs tors. theta energy: -129.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1521.723463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.723463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.723463 (E_RNA) where: Base-Base interactions energy: -1106.988 where: short stacking energy: -425.459 Base-Backbone interact. energy: -0.623 local terms energy: -414.112362 where: bonds (distance) C4'-P energy: -71.816 bonds (distance) P-C4' energy: -67.921 flat angles C4'-P-C4' energy: -88.227 flat angles P-C4'-P energy: -60.650 tors. eta vs tors. theta energy: -125.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1488.122846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.122846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.122846 (E_RNA) where: Base-Base interactions energy: -1057.582 where: short stacking energy: -422.321 Base-Backbone interact. energy: -0.794 local terms energy: -429.746549 where: bonds (distance) C4'-P energy: -76.848 bonds (distance) P-C4' energy: -76.009 flat angles C4'-P-C4' energy: -86.982 flat angles P-C4'-P energy: -58.555 tors. eta vs tors. theta energy: -131.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1474.207170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.207170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.207170 (E_RNA) where: Base-Base interactions energy: -1099.040 where: short stacking energy: -418.645 Base-Backbone interact. energy: 1.222 local terms energy: -376.389192 where: bonds (distance) C4'-P energy: -62.136 bonds (distance) P-C4' energy: -61.599 flat angles C4'-P-C4' energy: -71.964 flat angles P-C4'-P energy: -54.774 tors. eta vs tors. theta energy: -125.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1403.828675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.828675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.828675 (E_RNA) where: Base-Base interactions energy: -1029.899 where: short stacking energy: -395.857 Base-Backbone interact. energy: -1.393 local terms energy: -372.535910 where: bonds (distance) C4'-P energy: -69.349 bonds (distance) P-C4' energy: -65.661 flat angles C4'-P-C4' energy: -68.640 flat angles P-C4'-P energy: -59.880 tors. eta vs tors. theta energy: -109.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1358.072079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.072079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.072079 (E_RNA) where: Base-Base interactions energy: -982.528 where: short stacking energy: -380.528 Base-Backbone interact. energy: -0.306 local terms energy: -375.238723 where: bonds (distance) C4'-P energy: -68.206 bonds (distance) P-C4' energy: -62.919 flat angles C4'-P-C4' energy: -77.869 flat angles P-C4'-P energy: -48.988 tors. eta vs tors. theta energy: -117.257 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: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1287.065985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.065985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.065985 (E_RNA) where: Base-Base interactions energy: -946.414 where: short stacking energy: -371.926 Base-Backbone interact. energy: -0.191 local terms energy: -340.461020 where: bonds (distance) C4'-P energy: -44.427 bonds (distance) P-C4' energy: -59.462 flat angles C4'-P-C4' energy: -79.242 flat angles P-C4'-P energy: -49.928 tors. eta vs tors. theta energy: -107.401 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: 391 Temperature: 1.350000 Total energy: -1130.859705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.859705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.859705 (E_RNA) where: Base-Base interactions energy: -807.487 where: short stacking energy: -312.055 Base-Backbone interact. energy: 2.369 local terms energy: -325.741313 where: bonds (distance) C4'-P energy: -53.179 bonds (distance) P-C4' energy: -62.060 flat angles C4'-P-C4' energy: -76.415 flat angles P-C4'-P energy: -38.910 tors. eta vs tors. theta energy: -95.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1695.341596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.341596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.341596 (E_RNA) where: Base-Base interactions energy: -1245.183 where: short stacking energy: -493.663 Base-Backbone interact. energy: -0.176 local terms energy: -449.982773 where: bonds (distance) C4'-P energy: -70.742 bonds (distance) P-C4' energy: -70.024 flat angles C4'-P-C4' energy: -94.331 flat angles P-C4'-P energy: -63.486 tors. eta vs tors. theta energy: -151.399 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: 6 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1584.380484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.380484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.380484 (E_RNA) where: Base-Base interactions energy: -1133.449 where: short stacking energy: -443.400 Base-Backbone interact. energy: -1.200 local terms energy: -449.731287 where: bonds (distance) C4'-P energy: -76.439 bonds (distance) P-C4' energy: -82.035 flat angles C4'-P-C4' energy: -90.630 flat angles P-C4'-P energy: -67.911 tors. eta vs tors. theta energy: -132.716 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: 392 Temperature: 1.000000 Total energy: -1567.008721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.008721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.008721 (E_RNA) where: Base-Base interactions energy: -1141.335 where: short stacking energy: -448.429 Base-Backbone interact. energy: 0.102 local terms energy: -425.775082 where: bonds (distance) C4'-P energy: -80.715 bonds (distance) P-C4' energy: -64.875 flat angles C4'-P-C4' energy: -84.944 flat angles P-C4'-P energy: -64.906 tors. eta vs tors. theta energy: -130.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1499.263173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.263173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.263173 (E_RNA) where: Base-Base interactions energy: -1090.277 where: short stacking energy: -421.956 Base-Backbone interact. energy: -0.266 local terms energy: -408.720243 where: bonds (distance) C4'-P energy: -67.894 bonds (distance) P-C4' energy: -66.560 flat angles C4'-P-C4' energy: -95.271 flat angles P-C4'-P energy: -54.983 tors. eta vs tors. theta energy: -124.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1495.978249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.978249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.978249 (E_RNA) where: Base-Base interactions energy: -1106.326 where: short stacking energy: -431.652 Base-Backbone interact. energy: -0.072 local terms energy: -389.580481 where: bonds (distance) C4'-P energy: -55.843 bonds (distance) P-C4' energy: -71.231 flat angles C4'-P-C4' energy: -80.928 flat angles P-C4'-P energy: -55.805 tors. eta vs tors. theta energy: -125.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1471.765721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.765721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.765721 (E_RNA) where: Base-Base interactions energy: -1076.154 where: short stacking energy: -413.801 Base-Backbone interact. energy: -0.110 local terms energy: -395.500904 where: bonds (distance) C4'-P energy: -59.153 bonds (distance) P-C4' energy: -74.615 flat angles C4'-P-C4' energy: -86.496 flat angles P-C4'-P energy: -56.902 tors. eta vs tors. theta energy: -118.336 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: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1412.530447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.530447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.530447 (E_RNA) where: Base-Base interactions energy: -1014.391 where: short stacking energy: -385.153 Base-Backbone interact. energy: 2.973 local terms energy: -401.112056 where: bonds (distance) C4'-P energy: -72.690 bonds (distance) P-C4' energy: -77.156 flat angles C4'-P-C4' energy: -75.481 flat angles P-C4'-P energy: -62.590 tors. eta vs tors. theta energy: -113.195 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: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1323.774600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.774600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.774600 (E_RNA) where: Base-Base interactions energy: -964.667 where: short stacking energy: -378.988 Base-Backbone interact. energy: -0.230 local terms energy: -358.876888 where: bonds (distance) C4'-P energy: -57.681 bonds (distance) P-C4' energy: -57.148 flat angles C4'-P-C4' energy: -78.629 flat angles P-C4'-P energy: -53.363 tors. eta vs tors. theta energy: -112.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1265.480338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.480338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.480338 (E_RNA) where: Base-Base interactions energy: -906.959 where: short stacking energy: -348.662 Base-Backbone interact. energy: -1.435 local terms energy: -357.085981 where: bonds (distance) C4'-P energy: -60.222 bonds (distance) P-C4' energy: -62.176 flat angles C4'-P-C4' energy: -79.236 flat angles P-C4'-P energy: -46.820 tors. eta vs tors. theta energy: -108.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1140.820289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.820289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.820289 (E_RNA) where: Base-Base interactions energy: -818.373 where: short stacking energy: -318.376 Base-Backbone interact. energy: -0.055 local terms energy: -322.392101 where: bonds (distance) C4'-P energy: -50.733 bonds (distance) P-C4' energy: -70.728 flat angles C4'-P-C4' energy: -78.641 flat angles P-C4'-P energy: -39.670 tors. eta vs tors. theta energy: -82.620 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: 5 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1703.668940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.668940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.668940 (E_RNA) where: Base-Base interactions energy: -1252.672 where: short stacking energy: -492.468 Base-Backbone interact. energy: -1.199 local terms energy: -449.797457 where: bonds (distance) C4'-P energy: -81.776 bonds (distance) P-C4' energy: -63.069 flat angles C4'-P-C4' energy: -93.762 flat angles P-C4'-P energy: -64.257 tors. eta vs tors. theta energy: -146.934 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: 6 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1606.980175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.980175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.980175 (E_RNA) where: Base-Base interactions energy: -1154.924 where: short stacking energy: -456.236 Base-Backbone interact. energy: 0.357 local terms energy: -452.413078 where: bonds (distance) C4'-P energy: -84.526 bonds (distance) P-C4' energy: -75.535 flat angles C4'-P-C4' energy: -94.564 flat angles P-C4'-P energy: -65.104 tors. eta vs tors. theta energy: -132.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1567.692499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.692499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.692499 (E_RNA) where: Base-Base interactions energy: -1136.342 where: short stacking energy: -448.197 Base-Backbone interact. energy: -0.017 local terms energy: -431.333543 where: bonds (distance) C4'-P energy: -69.573 bonds (distance) P-C4' energy: -75.670 flat angles C4'-P-C4' energy: -85.556 flat angles P-C4'-P energy: -66.288 tors. eta vs tors. theta energy: -134.247 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: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1559.643849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.643849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.643849 (E_RNA) where: Base-Base interactions energy: -1145.257 where: short stacking energy: -448.763 Base-Backbone interact. energy: 0.395 local terms energy: -414.781081 where: bonds (distance) C4'-P energy: -74.451 bonds (distance) P-C4' energy: -59.081 flat angles C4'-P-C4' energy: -90.241 flat angles P-C4'-P energy: -56.940 tors. eta vs tors. theta energy: -134.067 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: 3 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1491.156911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.156911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.156911 (E_RNA) where: Base-Base interactions energy: -1085.272 where: short stacking energy: -424.547 Base-Backbone interact. energy: 0.010 local terms energy: -405.894503 where: bonds (distance) C4'-P energy: -67.129 bonds (distance) P-C4' energy: -60.717 flat angles C4'-P-C4' energy: -93.703 flat angles P-C4'-P energy: -59.698 tors. eta vs tors. theta energy: -124.648 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: 9 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1414.994355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.994355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.994355 (E_RNA) where: Base-Base interactions energy: -1028.788 where: short stacking energy: -401.179 Base-Backbone interact. energy: 3.098 local terms energy: -389.304140 where: bonds (distance) C4'-P energy: -58.486 bonds (distance) P-C4' energy: -72.131 flat angles C4'-P-C4' energy: -81.152 flat angles P-C4'-P energy: -58.283 tors. eta vs tors. theta energy: -119.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1427.344541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.344541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.344541 (E_RNA) where: Base-Base interactions energy: -1042.115 where: short stacking energy: -396.296 Base-Backbone interact. energy: 0.621 local terms energy: -385.850510 where: bonds (distance) C4'-P energy: -69.272 bonds (distance) P-C4' energy: -72.169 flat angles C4'-P-C4' energy: -80.744 flat angles P-C4'-P energy: -48.183 tors. eta vs tors. theta energy: -115.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1325.694948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.694948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.694948 (E_RNA) where: Base-Base interactions energy: -972.856 where: short stacking energy: -364.206 Base-Backbone interact. energy: 3.547 local terms energy: -356.386022 where: bonds (distance) C4'-P energy: -57.859 bonds (distance) P-C4' energy: -61.272 flat angles C4'-P-C4' energy: -74.394 flat angles P-C4'-P energy: -52.687 tors. eta vs tors. theta energy: -110.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1260.102271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.102271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.102271 (E_RNA) where: Base-Base interactions energy: -916.542 where: short stacking energy: -358.048 Base-Backbone interact. energy: 2.961 local terms energy: -346.521362 where: bonds (distance) C4'-P energy: -68.232 bonds (distance) P-C4' energy: -51.231 flat angles C4'-P-C4' energy: -83.990 flat angles P-C4'-P energy: -40.187 tors. eta vs tors. theta energy: -102.881 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: 8 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1134.349994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.349994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.349994 (E_RNA) where: Base-Base interactions energy: -805.825 where: short stacking energy: -321.454 Base-Backbone interact. energy: 2.214 local terms energy: -330.738635 where: bonds (distance) C4'-P energy: -67.868 bonds (distance) P-C4' energy: -58.516 flat angles C4'-P-C4' energy: -72.693 flat angles P-C4'-P energy: -44.257 tors. eta vs tors. theta energy: -87.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1715.217138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.217138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.217138 (E_RNA) where: Base-Base interactions energy: -1239.549 where: short stacking energy: -486.941 Base-Backbone interact. energy: -0.052 local terms energy: -475.616645 where: bonds (distance) C4'-P energy: -71.761 bonds (distance) P-C4' energy: -83.488 flat angles C4'-P-C4' energy: -94.203 flat angles P-C4'-P energy: -74.594 tors. eta vs tors. theta energy: -151.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1602.890315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.890315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.890315 (E_RNA) where: Base-Base interactions energy: -1160.527 where: short stacking energy: -451.896 Base-Backbone interact. energy: -0.946 local terms energy: -441.416787 where: bonds (distance) C4'-P energy: -70.938 bonds (distance) P-C4' energy: -83.359 flat angles C4'-P-C4' energy: -85.729 flat angles P-C4'-P energy: -66.102 tors. eta vs tors. theta energy: -135.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1553.615960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.615960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.615960 (E_RNA) where: Base-Base interactions energy: -1127.057 where: short stacking energy: -442.840 Base-Backbone interact. energy: -0.312 local terms energy: -426.246654 where: bonds (distance) C4'-P energy: -68.736 bonds (distance) P-C4' energy: -72.419 flat angles C4'-P-C4' energy: -90.164 flat angles P-C4'-P energy: -61.463 tors. eta vs tors. theta energy: -133.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1545.243456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.243456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.243456 (E_RNA) where: Base-Base interactions energy: -1123.785 where: short stacking energy: -436.924 Base-Backbone interact. energy: -0.366 local terms energy: -421.092435 where: bonds (distance) C4'-P energy: -66.373 bonds (distance) P-C4' energy: -62.810 flat angles C4'-P-C4' energy: -93.994 flat angles P-C4'-P energy: -66.223 tors. eta vs tors. theta energy: -131.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1500.944256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.944256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.944256 (E_RNA) where: Base-Base interactions energy: -1107.784 where: short stacking energy: -433.224 Base-Backbone interact. energy: -0.846 local terms energy: -392.313936 where: bonds (distance) C4'-P energy: -67.573 bonds (distance) P-C4' energy: -73.881 flat angles C4'-P-C4' energy: -75.223 flat angles P-C4'-P energy: -51.570 tors. eta vs tors. theta energy: -124.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1400.777325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.777325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.777325 (E_RNA) where: Base-Base interactions energy: -1018.521 where: short stacking energy: -393.387 Base-Backbone interact. energy: -0.856 local terms energy: -381.400956 where: bonds (distance) C4'-P energy: -60.330 bonds (distance) P-C4' energy: -80.965 flat angles C4'-P-C4' energy: -82.698 flat angles P-C4'-P energy: -42.344 tors. eta vs tors. theta energy: -115.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1420.756098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.756098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.756098 (E_RNA) where: Base-Base interactions energy: -1026.479 where: short stacking energy: -399.130 Base-Backbone interact. energy: -0.792 local terms energy: -393.485626 where: bonds (distance) C4'-P energy: -69.998 bonds (distance) P-C4' energy: -60.845 flat angles C4'-P-C4' energy: -86.563 flat angles P-C4'-P energy: -56.629 tors. eta vs tors. theta energy: -119.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1323.342891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.342891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.342891 (E_RNA) where: Base-Base interactions energy: -968.516 where: short stacking energy: -357.954 Base-Backbone interact. energy: 0.926 local terms energy: -355.753770 where: bonds (distance) C4'-P energy: -60.393 bonds (distance) P-C4' energy: -66.173 flat angles C4'-P-C4' energy: -80.792 flat angles P-C4'-P energy: -46.107 tors. eta vs tors. theta energy: -102.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1187.604680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.604680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.604680 (E_RNA) where: Base-Base interactions energy: -881.715 where: short stacking energy: -325.947 Base-Backbone interact. energy: -0.872 local terms energy: -305.017669 where: bonds (distance) C4'-P energy: -49.255 bonds (distance) P-C4' energy: -64.566 flat angles C4'-P-C4' energy: -69.509 flat angles P-C4'-P energy: -35.259 tors. eta vs tors. theta energy: -86.428 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: 8 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1082.242091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.242091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.242091 (E_RNA) where: Base-Base interactions energy: -758.546 where: short stacking energy: -291.861 Base-Backbone interact. energy: -0.914 local terms energy: -322.781924 where: bonds (distance) C4'-P energy: -63.590 bonds (distance) P-C4' energy: -58.231 flat angles C4'-P-C4' energy: -68.814 flat angles P-C4'-P energy: -44.413 tors. eta vs tors. theta energy: -87.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1708.427263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.427263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.427263 (E_RNA) where: Base-Base interactions energy: -1237.467 where: short stacking energy: -476.315 Base-Backbone interact. energy: -0.063 local terms energy: -470.897496 where: bonds (distance) C4'-P energy: -81.084 bonds (distance) P-C4' energy: -73.776 flat angles C4'-P-C4' energy: -94.288 flat angles P-C4'-P energy: -74.141 tors. eta vs tors. theta energy: -147.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1583.067456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.067456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.067456 (E_RNA) where: Base-Base interactions energy: -1152.032 where: short stacking energy: -448.271 Base-Backbone interact. energy: 0.919 local terms energy: -431.954461 where: bonds (distance) C4'-P energy: -78.369 bonds (distance) P-C4' energy: -73.530 flat angles C4'-P-C4' energy: -88.472 flat angles P-C4'-P energy: -60.132 tors. eta vs tors. theta energy: -131.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1557.129078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.129078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.129078 (E_RNA) where: Base-Base interactions energy: -1134.818 where: short stacking energy: -439.062 Base-Backbone interact. energy: -1.304 local terms energy: -421.007422 where: bonds (distance) C4'-P energy: -71.430 bonds (distance) P-C4' energy: -71.820 flat angles C4'-P-C4' energy: -84.967 flat angles P-C4'-P energy: -60.935 tors. eta vs tors. theta energy: -131.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1546.389704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.389704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.389704 (E_RNA) where: Base-Base interactions energy: -1123.768 where: short stacking energy: -436.371 Base-Backbone interact. energy: 0.052 local terms energy: -422.673394 where: bonds (distance) C4'-P energy: -64.240 bonds (distance) P-C4' energy: -71.607 flat angles C4'-P-C4' energy: -92.791 flat angles P-C4'-P energy: -65.834 tors. eta vs tors. theta energy: -128.201 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: 395 Temperature: 1.100000 Total energy: -1503.150673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.150673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.150673 (E_RNA) where: Base-Base interactions energy: -1097.480 where: short stacking energy: -428.440 Base-Backbone interact. energy: 0.107 local terms energy: -405.777961 where: bonds (distance) C4'-P energy: -61.486 bonds (distance) P-C4' energy: -60.767 flat angles C4'-P-C4' energy: -91.482 flat angles P-C4'-P energy: -65.754 tors. eta vs tors. theta energy: -126.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1444.849761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.849761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.849761 (E_RNA) where: Base-Base interactions energy: -1066.329 where: short stacking energy: -414.905 Base-Backbone interact. energy: -0.252 local terms energy: -378.269208 where: bonds (distance) C4'-P energy: -53.875 bonds (distance) P-C4' energy: -69.700 flat angles C4'-P-C4' energy: -79.436 flat angles P-C4'-P energy: -50.319 tors. eta vs tors. theta energy: -124.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1427.245239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.245239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.245239 (E_RNA) where: Base-Base interactions energy: -1053.470 where: short stacking energy: -410.261 Base-Backbone interact. energy: -0.266 local terms energy: -373.508898 where: bonds (distance) C4'-P energy: -57.112 bonds (distance) P-C4' energy: -61.917 flat angles C4'-P-C4' energy: -81.905 flat angles P-C4'-P energy: -52.922 tors. eta vs tors. theta energy: -119.653 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: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1344.828598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.828598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.828598 (E_RNA) where: Base-Base interactions energy: -973.696 where: short stacking energy: -385.301 Base-Backbone interact. energy: -0.247 local terms energy: -370.885235 where: bonds (distance) C4'-P energy: -69.370 bonds (distance) P-C4' energy: -56.354 flat angles C4'-P-C4' energy: -75.009 flat angles P-C4'-P energy: -56.673 tors. eta vs tors. theta energy: -113.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1209.946713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.946713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.946713 (E_RNA) where: Base-Base interactions energy: -880.432 where: short stacking energy: -330.959 Base-Backbone interact. energy: -1.119 local terms energy: -328.395446 where: bonds (distance) C4'-P energy: -58.897 bonds (distance) P-C4' energy: -58.315 flat angles C4'-P-C4' energy: -73.199 flat angles P-C4'-P energy: -49.155 tors. eta vs tors. theta energy: -88.830 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: 8 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1045.064843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.064843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.064843 (E_RNA) where: Base-Base interactions energy: -748.498 where: short stacking energy: -287.955 Base-Backbone interact. energy: 3.674 local terms energy: -300.240788 where: bonds (distance) C4'-P energy: -44.843 bonds (distance) P-C4' energy: -67.704 flat angles C4'-P-C4' energy: -71.028 flat angles P-C4'-P energy: -40.564 tors. eta vs tors. theta energy: -76.102 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: 5 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1710.549673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.549673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.549673 (E_RNA) where: Base-Base interactions energy: -1240.270 where: short stacking energy: -482.889 Base-Backbone interact. energy: -0.169 local terms energy: -470.110475 where: bonds (distance) C4'-P energy: -74.091 bonds (distance) P-C4' energy: -87.988 flat angles C4'-P-C4' energy: -88.453 flat angles P-C4'-P energy: -74.199 tors. eta vs tors. theta energy: -145.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1579.794168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.794168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.794168 (E_RNA) where: Base-Base interactions energy: -1152.310 where: short stacking energy: -452.420 Base-Backbone interact. energy: -0.606 local terms energy: -426.878256 where: bonds (distance) C4'-P energy: -74.957 bonds (distance) P-C4' energy: -72.784 flat angles C4'-P-C4' energy: -91.408 flat angles P-C4'-P energy: -53.455 tors. eta vs tors. theta energy: -134.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1560.449461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.449461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.449461 (E_RNA) where: Base-Base interactions energy: -1132.195 where: short stacking energy: -456.652 Base-Backbone interact. energy: -0.604 local terms energy: -427.650538 where: bonds (distance) C4'-P energy: -66.981 bonds (distance) P-C4' energy: -74.861 flat angles C4'-P-C4' energy: -91.399 flat angles P-C4'-P energy: -61.704 tors. eta vs tors. theta energy: -132.705 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: 4, replica: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1555.617701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.617701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.617701 (E_RNA) where: Base-Base interactions energy: -1124.224 where: short stacking energy: -439.885 Base-Backbone interact. energy: 1.335 local terms energy: -432.729011 where: bonds (distance) C4'-P energy: -75.691 bonds (distance) P-C4' energy: -75.226 flat angles C4'-P-C4' energy: -87.351 flat angles P-C4'-P energy: -62.251 tors. eta vs tors. theta energy: -132.209 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: 10 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1490.405602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.405602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.405602 (E_RNA) where: Base-Base interactions energy: -1051.269 where: short stacking energy: -431.525 Base-Backbone interact. energy: -1.778 local terms energy: -437.358330 where: bonds (distance) C4'-P energy: -77.221 bonds (distance) P-C4' energy: -73.351 flat angles C4'-P-C4' energy: -91.819 flat angles P-C4'-P energy: -66.874 tors. eta vs tors. theta energy: -128.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1467.497072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.497072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.497072 (E_RNA) where: Base-Base interactions energy: -1052.098 where: short stacking energy: -406.845 Base-Backbone interact. energy: -0.424 local terms energy: -414.974763 where: bonds (distance) C4'-P energy: -71.862 bonds (distance) P-C4' energy: -68.186 flat angles C4'-P-C4' energy: -84.829 flat angles P-C4'-P energy: -64.656 tors. eta vs tors. theta energy: -125.442 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: 9 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1381.493743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.493743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.493743 (E_RNA) where: Base-Base interactions energy: -1007.373 where: short stacking energy: -378.293 Base-Backbone interact. energy: -0.394 local terms energy: -373.726907 where: bonds (distance) C4'-P energy: -67.692 bonds (distance) P-C4' energy: -62.277 flat angles C4'-P-C4' energy: -78.062 flat angles P-C4'-P energy: -52.220 tors. eta vs tors. theta energy: -113.476 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: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1341.774708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.774708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.774708 (E_RNA) where: Base-Base interactions energy: -989.166 where: short stacking energy: -384.934 Base-Backbone interact. energy: -0.857 local terms energy: -351.752205 where: bonds (distance) C4'-P energy: -65.617 bonds (distance) P-C4' energy: -59.613 flat angles C4'-P-C4' energy: -73.526 flat angles P-C4'-P energy: -49.794 tors. eta vs tors. theta energy: -103.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1199.340553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.340553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.340553 (E_RNA) where: Base-Base interactions energy: -858.346 where: short stacking energy: -331.770 Base-Backbone interact. energy: -0.663 local terms energy: -340.331254 where: bonds (distance) C4'-P energy: -62.199 bonds (distance) P-C4' energy: -49.835 flat angles C4'-P-C4' energy: -80.484 flat angles P-C4'-P energy: -55.781 tors. eta vs tors. theta energy: -92.033 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: 8 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1063.110046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.110046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.110046 (E_RNA) where: Base-Base interactions energy: -753.556 where: short stacking energy: -294.025 Base-Backbone interact. energy: -1.405 local terms energy: -308.149204 where: bonds (distance) C4'-P energy: -68.768 bonds (distance) P-C4' energy: -56.419 flat angles C4'-P-C4' energy: -64.929 flat angles P-C4'-P energy: -30.983 tors. eta vs tors. theta energy: -87.049 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: 5 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1715.768688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.768688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.768688 (E_RNA) where: Base-Base interactions energy: -1234.705 where: short stacking energy: -483.853 Base-Backbone interact. energy: -0.530 local terms energy: -480.533332 where: bonds (distance) C4'-P energy: -69.995 bonds (distance) P-C4' energy: -84.015 flat angles C4'-P-C4' energy: -98.029 flat angles P-C4'-P energy: -77.198 tors. eta vs tors. theta energy: -151.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1587.799120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.799120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.799120 (E_RNA) where: Base-Base interactions energy: -1157.709 where: short stacking energy: -452.797 Base-Backbone interact. energy: -0.604 local terms energy: -429.486202 where: bonds (distance) C4'-P energy: -70.236 bonds (distance) P-C4' energy: -72.429 flat angles C4'-P-C4' energy: -87.602 flat angles P-C4'-P energy: -59.207 tors. eta vs tors. theta energy: -140.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1565.159032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.159032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.159032 (E_RNA) where: Base-Base interactions energy: -1132.701 where: short stacking energy: -431.227 Base-Backbone interact. energy: 0.624 local terms energy: -433.081672 where: bonds (distance) C4'-P energy: -79.094 bonds (distance) P-C4' energy: -74.544 flat angles C4'-P-C4' energy: -91.577 flat angles P-C4'-P energy: -56.402 tors. eta vs tors. theta energy: -131.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1540.100984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.100984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.100984 (E_RNA) where: Base-Base interactions energy: -1121.115 where: short stacking energy: -447.758 Base-Backbone interact. energy: -3.766 local terms energy: -415.219753 where: bonds (distance) C4'-P energy: -66.009 bonds (distance) P-C4' energy: -71.968 flat angles C4'-P-C4' energy: -85.044 flat angles P-C4'-P energy: -59.685 tors. eta vs tors. theta energy: -132.514 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: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1465.563723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.563723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.563723 (E_RNA) where: Base-Base interactions energy: -1058.585 where: short stacking energy: -411.762 Base-Backbone interact. energy: -0.267 local terms energy: -406.711031 where: bonds (distance) C4'-P energy: -65.472 bonds (distance) P-C4' energy: -65.455 flat angles C4'-P-C4' energy: -87.260 flat angles P-C4'-P energy: -60.369 tors. eta vs tors. theta energy: -128.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1460.839396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.839396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.839396 (E_RNA) where: Base-Base interactions energy: -1060.337 where: short stacking energy: -411.779 Base-Backbone interact. energy: 0.018 local terms energy: -400.520763 where: bonds (distance) C4'-P energy: -76.279 bonds (distance) P-C4' energy: -65.290 flat angles C4'-P-C4' energy: -79.761 flat angles P-C4'-P energy: -55.589 tors. eta vs tors. theta energy: -123.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1405.650868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.650868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.650868 (E_RNA) where: Base-Base interactions energy: -1040.110 where: short stacking energy: -406.278 Base-Backbone interact. energy: 0.479 local terms energy: -366.019216 where: bonds (distance) C4'-P energy: -51.719 bonds (distance) P-C4' energy: -64.096 flat angles C4'-P-C4' energy: -76.305 flat angles P-C4'-P energy: -52.745 tors. eta vs tors. theta energy: -121.154 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: 4 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1342.511611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.511611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.511611 (E_RNA) where: Base-Base interactions energy: -1001.257 where: short stacking energy: -373.843 Base-Backbone interact. energy: 0.661 local terms energy: -341.915129 where: bonds (distance) C4'-P energy: -56.801 bonds (distance) P-C4' energy: -55.259 flat angles C4'-P-C4' energy: -81.472 flat angles P-C4'-P energy: -41.441 tors. eta vs tors. theta energy: -106.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1202.347226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.347226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.347226 (E_RNA) where: Base-Base interactions energy: -858.490 where: short stacking energy: -333.681 Base-Backbone interact. energy: 0.050 local terms energy: -343.907356 where: bonds (distance) C4'-P energy: -59.236 bonds (distance) P-C4' energy: -63.075 flat angles C4'-P-C4' energy: -77.134 flat angles P-C4'-P energy: -44.906 tors. eta vs tors. theta energy: -99.556 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: 8 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1134.312764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.312764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.312764 (E_RNA) where: Base-Base interactions energy: -813.102 where: short stacking energy: -320.935 Base-Backbone interact. energy: 0.215 local terms energy: -321.426220 where: bonds (distance) C4'-P energy: -70.653 bonds (distance) P-C4' energy: -38.907 flat angles C4'-P-C4' energy: -74.292 flat angles P-C4'-P energy: -46.194 tors. eta vs tors. theta energy: -91.382 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: 1, replica: 5 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1727.033478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.033478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.033478 (E_RNA) where: Base-Base interactions energy: -1256.315 where: short stacking energy: -488.407 Base-Backbone interact. energy: -0.575 local terms energy: -470.143093 where: bonds (distance) C4'-P energy: -74.968 bonds (distance) P-C4' energy: -81.734 flat angles C4'-P-C4' energy: -96.247 flat angles P-C4'-P energy: -69.636 tors. eta vs tors. theta energy: -147.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1598.458628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.458628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.458628 (E_RNA) where: Base-Base interactions energy: -1151.022 where: short stacking energy: -454.415 Base-Backbone interact. energy: -0.182 local terms energy: -447.254822 where: bonds (distance) C4'-P energy: -73.818 bonds (distance) P-C4' energy: -72.548 flat angles C4'-P-C4' energy: -95.695 flat angles P-C4'-P energy: -70.318 tors. eta vs tors. theta energy: -134.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1564.581955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.581955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.581955 (E_RNA) where: Base-Base interactions energy: -1145.481 where: short stacking energy: -447.463 Base-Backbone interact. energy: 1.794 local terms energy: -420.894453 where: bonds (distance) C4'-P energy: -74.826 bonds (distance) P-C4' energy: -79.098 flat angles C4'-P-C4' energy: -84.451 flat angles P-C4'-P energy: -53.626 tors. eta vs tors. theta energy: -128.893 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: 4, replica: 2 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1553.555883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.555883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.555883 (E_RNA) where: Base-Base interactions energy: -1138.183 where: short stacking energy: -440.383 Base-Backbone interact. energy: -0.134 local terms energy: -415.238898 where: bonds (distance) C4'-P energy: -63.990 bonds (distance) P-C4' energy: -71.824 flat angles C4'-P-C4' energy: -86.762 flat angles P-C4'-P energy: -58.826 tors. eta vs tors. theta energy: -133.836 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: 3 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1479.703916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.703916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.703916 (E_RNA) where: Base-Base interactions energy: -1071.301 where: short stacking energy: -410.578 Base-Backbone interact. energy: 0.651 local terms energy: -409.054523 where: bonds (distance) C4'-P energy: -67.718 bonds (distance) P-C4' energy: -79.947 flat angles C4'-P-C4' energy: -85.189 flat angles P-C4'-P energy: -54.784 tors. eta vs tors. theta energy: -121.417 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: 10 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1467.661540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.661540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.661540 (E_RNA) where: Base-Base interactions energy: -1061.022 where: short stacking energy: -416.721 Base-Backbone interact. energy: -1.076 local terms energy: -405.563564 where: bonds (distance) C4'-P energy: -67.974 bonds (distance) P-C4' energy: -65.366 flat angles C4'-P-C4' energy: -82.874 flat angles P-C4'-P energy: -61.335 tors. eta vs tors. theta energy: -128.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1400.132666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.132666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.132666 (E_RNA) where: Base-Base interactions energy: -996.664 where: short stacking energy: -387.289 Base-Backbone interact. energy: -0.562 local terms energy: -402.906410 where: bonds (distance) C4'-P energy: -76.528 bonds (distance) P-C4' energy: -67.158 flat angles C4'-P-C4' energy: -86.336 flat angles P-C4'-P energy: -56.236 tors. eta vs tors. theta energy: -116.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1378.042625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.042625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.042625 (E_RNA) where: Base-Base interactions energy: -1016.735 where: short stacking energy: -392.182 Base-Backbone interact. energy: -0.397 local terms energy: -360.910284 where: bonds (distance) C4'-P energy: -54.648 bonds (distance) P-C4' energy: -62.582 flat angles C4'-P-C4' energy: -77.466 flat angles P-C4'-P energy: -44.183 tors. eta vs tors. theta energy: -122.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1188.965481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.965481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.965481 (E_RNA) where: Base-Base interactions energy: -871.938 where: short stacking energy: -323.019 Base-Backbone interact. energy: 1.226 local terms energy: -318.253095 where: bonds (distance) C4'-P energy: -67.299 bonds (distance) P-C4' energy: -56.067 flat angles C4'-P-C4' energy: -59.901 flat angles P-C4'-P energy: -49.147 tors. eta vs tors. theta energy: -85.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1115.455574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.455574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.455574 (E_RNA) where: Base-Base interactions energy: -789.002 where: short stacking energy: -323.587 Base-Backbone interact. energy: -1.002 local terms energy: -325.451397 where: bonds (distance) C4'-P energy: -59.871 bonds (distance) P-C4' energy: -57.999 flat angles C4'-P-C4' energy: -76.581 flat angles P-C4'-P energy: -38.579 tors. eta vs tors. theta energy: -92.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1720.753600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.753600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.753600 (E_RNA) where: Base-Base interactions energy: -1266.185 where: short stacking energy: -498.154 Base-Backbone interact. energy: 0.340 local terms energy: -454.908289 where: bonds (distance) C4'-P energy: -70.035 bonds (distance) P-C4' energy: -77.038 flat angles C4'-P-C4' energy: -91.002 flat angles P-C4'-P energy: -69.391 tors. eta vs tors. theta energy: -147.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1571.189657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.189657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.189657 (E_RNA) where: Base-Base interactions energy: -1142.046 where: short stacking energy: -451.047 Base-Backbone interact. energy: -1.061 local terms energy: -428.083125 where: bonds (distance) C4'-P energy: -71.634 bonds (distance) P-C4' energy: -68.996 flat angles C4'-P-C4' energy: -87.779 flat angles P-C4'-P energy: -68.581 tors. eta vs tors. theta energy: -131.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1566.212444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.212444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.212444 (E_RNA) where: Base-Base interactions energy: -1150.935 where: short stacking energy: -446.798 Base-Backbone interact. energy: -0.095 local terms energy: -415.182030 where: bonds (distance) C4'-P energy: -60.393 bonds (distance) P-C4' energy: -77.216 flat angles C4'-P-C4' energy: -87.817 flat angles P-C4'-P energy: -60.305 tors. eta vs tors. theta energy: -129.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1513.658818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.658818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.658818 (E_RNA) where: Base-Base interactions energy: -1091.973 where: short stacking energy: -420.083 Base-Backbone interact. energy: -0.648 local terms energy: -421.037588 where: bonds (distance) C4'-P energy: -72.308 bonds (distance) P-C4' energy: -72.400 flat angles C4'-P-C4' energy: -85.981 flat angles P-C4'-P energy: -61.086 tors. eta vs tors. theta energy: -129.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1534.322786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.322786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.322786 (E_RNA) where: Base-Base interactions energy: -1106.598 where: short stacking energy: -428.960 Base-Backbone interact. energy: -0.458 local terms energy: -427.266452 where: bonds (distance) C4'-P energy: -76.392 bonds (distance) P-C4' energy: -73.377 flat angles C4'-P-C4' energy: -84.550 flat angles P-C4'-P energy: -65.266 tors. eta vs tors. theta energy: -127.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1408.260018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.260018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.260018 (E_RNA) where: Base-Base interactions energy: -1042.970 where: short stacking energy: -398.535 Base-Backbone interact. energy: 1.208 local terms energy: -366.498532 where: bonds (distance) C4'-P energy: -57.153 bonds (distance) P-C4' energy: -75.508 flat angles C4'-P-C4' energy: -70.945 flat angles P-C4'-P energy: -47.500 tors. eta vs tors. theta energy: -115.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1431.879279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.879279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.879279 (E_RNA) where: Base-Base interactions energy: -1023.798 where: short stacking energy: -397.051 Base-Backbone interact. energy: -0.936 local terms energy: -407.145215 where: bonds (distance) C4'-P energy: -78.689 bonds (distance) P-C4' energy: -67.330 flat angles C4'-P-C4' energy: -81.474 flat angles P-C4'-P energy: -59.633 tors. eta vs tors. theta energy: -120.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1376.927628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.927628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.927628 (E_RNA) where: Base-Base interactions energy: -994.195 where: short stacking energy: -385.974 Base-Backbone interact. energy: -0.416 local terms energy: -382.316988 where: bonds (distance) C4'-P energy: -72.420 bonds (distance) P-C4' energy: -61.292 flat angles C4'-P-C4' energy: -78.496 flat angles P-C4'-P energy: -52.379 tors. eta vs tors. theta energy: -117.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1211.245986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.245986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.245986 (E_RNA) where: Base-Base interactions energy: -909.554 where: short stacking energy: -335.961 Base-Backbone interact. energy: 1.500 local terms energy: -303.192002 where: bonds (distance) C4'-P energy: -46.976 bonds (distance) P-C4' energy: -51.940 flat angles C4'-P-C4' energy: -67.069 flat angles P-C4'-P energy: -40.205 tors. eta vs tors. theta energy: -97.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1099.646281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.646281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.646281 (E_RNA) where: Base-Base interactions energy: -785.960 where: short stacking energy: -310.283 Base-Backbone interact. energy: 5.465 local terms energy: -319.151198 where: bonds (distance) C4'-P energy: -71.030 bonds (distance) P-C4' energy: -48.921 flat angles C4'-P-C4' energy: -65.322 flat angles P-C4'-P energy: -53.172 tors. eta vs tors. theta energy: -80.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1715.155223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.155223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.155223 (E_RNA) where: Base-Base interactions energy: -1258.321 where: short stacking energy: -491.532 Base-Backbone interact. energy: -0.504 local terms energy: -456.330215 where: bonds (distance) C4'-P energy: -72.577 bonds (distance) P-C4' energy: -76.518 flat angles C4'-P-C4' energy: -92.461 flat angles P-C4'-P energy: -63.316 tors. eta vs tors. theta energy: -151.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1571.150997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.150997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.150997 (E_RNA) where: Base-Base interactions energy: -1135.519 where: short stacking energy: -439.565 Base-Backbone interact. energy: 0.504 local terms energy: -436.136381 where: bonds (distance) C4'-P energy: -69.813 bonds (distance) P-C4' energy: -76.360 flat angles C4'-P-C4' energy: -86.468 flat angles P-C4'-P energy: -67.081 tors. eta vs tors. theta energy: -136.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1555.003772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.003772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.003772 (E_RNA) where: Base-Base interactions energy: -1129.249 where: short stacking energy: -439.674 Base-Backbone interact. energy: 1.790 local terms energy: -427.544587 where: bonds (distance) C4'-P energy: -74.600 bonds (distance) P-C4' energy: -77.896 flat angles C4'-P-C4' energy: -93.737 flat angles P-C4'-P energy: -51.701 tors. eta vs tors. theta energy: -129.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1541.316966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.316966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.316966 (E_RNA) where: Base-Base interactions energy: -1120.738 where: short stacking energy: -441.817 Base-Backbone interact. energy: -0.388 local terms energy: -420.191391 where: bonds (distance) C4'-P energy: -65.171 bonds (distance) P-C4' energy: -67.383 flat angles C4'-P-C4' energy: -90.821 flat angles P-C4'-P energy: -63.429 tors. eta vs tors. theta energy: -133.388 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: 2 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1514.910018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.910018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.910018 (E_RNA) where: Base-Base interactions energy: -1103.029 where: short stacking energy: -431.616 Base-Backbone interact. energy: -0.459 local terms energy: -411.422358 where: bonds (distance) C4'-P energy: -63.024 bonds (distance) P-C4' energy: -74.395 flat angles C4'-P-C4' energy: -84.047 flat angles P-C4'-P energy: -59.161 tors. eta vs tors. theta energy: -130.795 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: 4 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1417.335233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.335233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.335233 (E_RNA) where: Base-Base interactions energy: -1028.901 where: short stacking energy: -403.228 Base-Backbone interact. energy: -2.684 local terms energy: -385.750647 where: bonds (distance) C4'-P energy: -64.568 bonds (distance) P-C4' energy: -62.268 flat angles C4'-P-C4' energy: -79.061 flat angles P-C4'-P energy: -54.925 tors. eta vs tors. theta energy: -124.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1423.685923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.685923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.685923 (E_RNA) where: Base-Base interactions energy: -1038.190 where: short stacking energy: -398.836 Base-Backbone interact. energy: 1.440 local terms energy: -386.935353 where: bonds (distance) C4'-P energy: -67.349 bonds (distance) P-C4' energy: -63.894 flat angles C4'-P-C4' energy: -76.573 flat angles P-C4'-P energy: -62.120 tors. eta vs tors. theta energy: -116.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1384.555022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.555022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.555022 (E_RNA) where: Base-Base interactions energy: -1005.992 where: short stacking energy: -388.873 Base-Backbone interact. energy: 2.659 local terms energy: -381.222191 where: bonds (distance) C4'-P energy: -64.640 bonds (distance) P-C4' energy: -74.670 flat angles C4'-P-C4' energy: -71.643 flat angles P-C4'-P energy: -58.029 tors. eta vs tors. theta energy: -112.240 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: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1240.052899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.052899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.052899 (E_RNA) where: Base-Base interactions energy: -899.853 where: short stacking energy: -352.200 Base-Backbone interact. energy: -1.089 local terms energy: -339.111467 where: bonds (distance) C4'-P energy: -50.701 bonds (distance) P-C4' energy: -53.774 flat angles C4'-P-C4' energy: -76.629 flat angles P-C4'-P energy: -52.522 tors. eta vs tors. theta energy: -105.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1128.615201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.615201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.615201 (E_RNA) where: Base-Base interactions energy: -803.218 where: short stacking energy: -330.994 Base-Backbone interact. energy: -0.329 local terms energy: -325.068541 where: bonds (distance) C4'-P energy: -50.150 bonds (distance) P-C4' energy: -60.288 flat angles C4'-P-C4' energy: -76.254 flat angles P-C4'-P energy: -43.309 tors. eta vs tors. theta energy: -95.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1719.982065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.982065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.982065 (E_RNA) where: Base-Base interactions energy: -1254.701 where: short stacking energy: -492.358 Base-Backbone interact. energy: -0.248 local terms energy: -465.033318 where: bonds (distance) C4'-P energy: -72.199 bonds (distance) P-C4' energy: -80.314 flat angles C4'-P-C4' energy: -95.079 flat angles P-C4'-P energy: -70.389 tors. eta vs tors. theta energy: -147.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1553.458786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.458786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.458786 (E_RNA) where: Base-Base interactions energy: -1117.757 where: short stacking energy: -420.590 Base-Backbone interact. energy: -0.856 local terms energy: -434.845306 where: bonds (distance) C4'-P energy: -72.761 bonds (distance) P-C4' energy: -87.710 flat angles C4'-P-C4' energy: -92.064 flat angles P-C4'-P energy: -58.322 tors. eta vs tors. theta energy: -123.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1582.244929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.244929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.244929 (E_RNA) where: Base-Base interactions energy: -1175.817 where: short stacking energy: -448.081 Base-Backbone interact. energy: -0.744 local terms energy: -405.684485 where: bonds (distance) C4'-P energy: -66.060 bonds (distance) P-C4' energy: -71.762 flat angles C4'-P-C4' energy: -84.537 flat angles P-C4'-P energy: -51.657 tors. eta vs tors. theta energy: -131.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1545.721971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.721971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.721971 (E_RNA) where: Base-Base interactions energy: -1122.721 where: short stacking energy: -443.673 Base-Backbone interact. energy: -0.940 local terms energy: -422.061616 where: bonds (distance) C4'-P energy: -61.973 bonds (distance) P-C4' energy: -73.198 flat angles C4'-P-C4' energy: -89.101 flat angles P-C4'-P energy: -64.640 tors. eta vs tors. theta energy: -133.150 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: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1502.385914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.385914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.385914 (E_RNA) where: Base-Base interactions energy: -1072.255 where: short stacking energy: -415.663 Base-Backbone interact. energy: -0.594 local terms energy: -429.536836 where: bonds (distance) C4'-P energy: -74.393 bonds (distance) P-C4' energy: -80.882 flat angles C4'-P-C4' energy: -85.379 flat angles P-C4'-P energy: -62.365 tors. eta vs tors. theta energy: -126.518 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: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1438.163479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.163479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.163479 (E_RNA) where: Base-Base interactions energy: -1045.897 where: short stacking energy: -398.373 Base-Backbone interact. energy: -0.147 local terms energy: -392.119677 where: bonds (distance) C4'-P energy: -65.849 bonds (distance) P-C4' energy: -71.202 flat angles C4'-P-C4' energy: -83.081 flat angles P-C4'-P energy: -56.234 tors. eta vs tors. theta energy: -115.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1438.098196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.098196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.098196 (E_RNA) where: Base-Base interactions energy: -1044.491 where: short stacking energy: -406.289 Base-Backbone interact. energy: -0.846 local terms energy: -392.760893 where: bonds (distance) C4'-P energy: -66.329 bonds (distance) P-C4' energy: -69.596 flat angles C4'-P-C4' energy: -84.255 flat angles P-C4'-P energy: -51.513 tors. eta vs tors. theta energy: -121.067 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: 9 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1383.182558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.182558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.182558 (E_RNA) where: Base-Base interactions energy: -1002.000 where: short stacking energy: -381.688 Base-Backbone interact. energy: -0.228 local terms energy: -380.954748 where: bonds (distance) C4'-P energy: -66.804 bonds (distance) P-C4' energy: -72.088 flat angles C4'-P-C4' energy: -79.003 flat angles P-C4'-P energy: -49.477 tors. eta vs tors. theta energy: -113.584 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: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1227.851091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.851091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.851091 (E_RNA) where: Base-Base interactions energy: -905.151 where: short stacking energy: -353.174 Base-Backbone interact. energy: 3.910 local terms energy: -326.610767 where: bonds (distance) C4'-P energy: -50.304 bonds (distance) P-C4' energy: -60.611 flat angles C4'-P-C4' energy: -70.904 flat angles P-C4'-P energy: -44.157 tors. eta vs tors. theta energy: -100.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -1103.296514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.296514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.296514 (E_RNA) where: Base-Base interactions energy: -781.534 where: short stacking energy: -327.502 Base-Backbone interact. energy: 1.982 local terms energy: -323.744229 where: bonds (distance) C4'-P energy: -55.685 bonds (distance) P-C4' energy: -49.377 flat angles C4'-P-C4' energy: -78.567 flat angles P-C4'-P energy: -49.720 tors. eta vs tors. theta energy: -90.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1714.706582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.706582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.706582 (E_RNA) where: Base-Base interactions energy: -1246.149 where: short stacking energy: -485.709 Base-Backbone interact. energy: -0.645 local terms energy: -467.913004 where: bonds (distance) C4'-P energy: -75.775 bonds (distance) P-C4' energy: -70.342 flat angles C4'-P-C4' energy: -96.225 flat angles P-C4'-P energy: -73.098 tors. eta vs tors. theta energy: -152.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1562.808079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.808079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.808079 (E_RNA) where: Base-Base interactions energy: -1123.540 where: short stacking energy: -449.208 Base-Backbone interact. energy: -0.915 local terms energy: -438.353177 where: bonds (distance) C4'-P energy: -77.149 bonds (distance) P-C4' energy: -75.606 flat angles C4'-P-C4' energy: -93.619 flat angles P-C4'-P energy: -62.309 tors. eta vs tors. theta energy: -129.671 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: 6 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1586.200772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.200772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.200772 (E_RNA) where: Base-Base interactions energy: -1164.288 where: short stacking energy: -437.361 Base-Backbone interact. energy: -0.770 local terms energy: -421.143350 where: bonds (distance) C4'-P energy: -64.528 bonds (distance) P-C4' energy: -80.254 flat angles C4'-P-C4' energy: -89.980 flat angles P-C4'-P energy: -52.886 tors. eta vs tors. theta energy: -133.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1549.283724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.283724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.283724 (E_RNA) where: Base-Base interactions energy: -1125.379 where: short stacking energy: -449.143 Base-Backbone interact. energy: -0.179 local terms energy: -423.726325 where: bonds (distance) C4'-P energy: -72.302 bonds (distance) P-C4' energy: -74.003 flat angles C4'-P-C4' energy: -88.641 flat angles P-C4'-P energy: -55.062 tors. eta vs tors. theta energy: -133.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1511.291804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.291804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.291804 (E_RNA) where: Base-Base interactions energy: -1111.111 where: short stacking energy: -436.139 Base-Backbone interact. energy: 0.269 local terms energy: -400.449672 where: bonds (distance) C4'-P energy: -55.998 bonds (distance) P-C4' energy: -65.843 flat angles C4'-P-C4' energy: -90.220 flat angles P-C4'-P energy: -55.162 tors. eta vs tors. theta energy: -133.227 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: 4 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1402.064804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.064804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.064804 (E_RNA) where: Base-Base interactions energy: -1007.806 where: short stacking energy: -389.442 Base-Backbone interact. energy: -0.869 local terms energy: -393.390445 where: bonds (distance) C4'-P energy: -64.778 bonds (distance) P-C4' energy: -80.530 flat angles C4'-P-C4' energy: -85.767 flat angles P-C4'-P energy: -49.376 tors. eta vs tors. theta energy: -112.939 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: 402 Temperature: 1.200000 Total energy: -1442.076212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.076212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.076212 (E_RNA) where: Base-Base interactions energy: -1045.965 where: short stacking energy: -401.624 Base-Backbone interact. energy: 2.140 local terms energy: -398.250815 where: bonds (distance) C4'-P energy: -71.457 bonds (distance) P-C4' energy: -60.400 flat angles C4'-P-C4' energy: -77.046 flat angles P-C4'-P energy: -60.521 tors. eta vs tors. theta energy: -128.827 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: 9 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1358.505309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.505309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.505309 (E_RNA) where: Base-Base interactions energy: -977.069 where: short stacking energy: -374.743 Base-Backbone interact. energy: 0.788 local terms energy: -382.224235 where: bonds (distance) C4'-P energy: -58.945 bonds (distance) P-C4' energy: -72.276 flat angles C4'-P-C4' energy: -83.491 flat angles P-C4'-P energy: -54.977 tors. eta vs tors. theta energy: -112.536 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: 9, replica: 8 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1138.801466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.801466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.801466 (E_RNA) where: Base-Base interactions energy: -814.720 where: short stacking energy: -310.659 Base-Backbone interact. energy: -2.033 local terms energy: -322.048198 where: bonds (distance) C4'-P energy: -62.749 bonds (distance) P-C4' energy: -53.678 flat angles C4'-P-C4' energy: -71.852 flat angles P-C4'-P energy: -46.238 tors. eta vs tors. theta energy: -87.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1221.515725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.515725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.515725 (E_RNA) where: Base-Base interactions energy: -886.033 where: short stacking energy: -338.916 Base-Backbone interact. energy: 1.505 local terms energy: -336.987888 where: bonds (distance) C4'-P energy: -58.528 bonds (distance) P-C4' energy: -62.057 flat angles C4'-P-C4' energy: -82.158 flat angles P-C4'-P energy: -42.322 tors. eta vs tors. theta energy: -91.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1708.020546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.020546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.020546 (E_RNA) where: Base-Base interactions energy: -1249.693 where: short stacking energy: -487.983 Base-Backbone interact. energy: -0.110 local terms energy: -458.217624 where: bonds (distance) C4'-P energy: -66.741 bonds (distance) P-C4' energy: -70.464 flat angles C4'-P-C4' energy: -100.239 flat angles P-C4'-P energy: -72.532 tors. eta vs tors. theta energy: -148.241 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: 2, replica: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1571.676974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.676974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.676974 (E_RNA) where: Base-Base interactions energy: -1126.224 where: short stacking energy: -448.310 Base-Backbone interact. energy: 0.991 local terms energy: -446.443393 where: bonds (distance) C4'-P energy: -79.870 bonds (distance) P-C4' energy: -77.930 flat angles C4'-P-C4' energy: -84.777 flat angles P-C4'-P energy: -74.160 tors. eta vs tors. theta energy: -129.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1567.940847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.940847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.940847 (E_RNA) where: Base-Base interactions energy: -1137.629 where: short stacking energy: -450.884 Base-Backbone interact. energy: 1.158 local terms energy: -431.469933 where: bonds (distance) C4'-P energy: -77.008 bonds (distance) P-C4' energy: -72.494 flat angles C4'-P-C4' energy: -86.287 flat angles P-C4'-P energy: -56.699 tors. eta vs tors. theta energy: -138.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1544.711011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.711011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.711011 (E_RNA) where: Base-Base interactions energy: -1125.464 where: short stacking energy: -434.362 Base-Backbone interact. energy: 2.782 local terms energy: -422.028790 where: bonds (distance) C4'-P energy: -72.399 bonds (distance) P-C4' energy: -71.755 flat angles C4'-P-C4' energy: -87.847 flat angles P-C4'-P energy: -57.957 tors. eta vs tors. theta energy: -132.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1529.269068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.269068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.269068 (E_RNA) where: Base-Base interactions energy: -1108.136 where: short stacking energy: -420.930 Base-Backbone interact. energy: -0.399 local terms energy: -420.734020 where: bonds (distance) C4'-P energy: -79.450 bonds (distance) P-C4' energy: -80.529 flat angles C4'-P-C4' energy: -78.797 flat angles P-C4'-P energy: -59.230 tors. eta vs tors. theta energy: -122.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1465.613952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.613952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.613952 (E_RNA) where: Base-Base interactions energy: -1067.793 where: short stacking energy: -418.449 Base-Backbone interact. energy: 0.221 local terms energy: -398.041627 where: bonds (distance) C4'-P energy: -68.441 bonds (distance) P-C4' energy: -56.451 flat angles C4'-P-C4' energy: -87.083 flat angles P-C4'-P energy: -60.686 tors. eta vs tors. theta energy: -125.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1374.879564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.879564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.879564 (E_RNA) where: Base-Base interactions energy: -996.724 where: short stacking energy: -379.298 Base-Backbone interact. energy: 0.477 local terms energy: -378.632509 where: bonds (distance) C4'-P energy: -57.590 bonds (distance) P-C4' energy: -57.458 flat angles C4'-P-C4' energy: -79.772 flat angles P-C4'-P energy: -63.683 tors. eta vs tors. theta energy: -120.130 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: 9 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1411.620306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.620306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.620306 (E_RNA) where: Base-Base interactions energy: -1018.824 where: short stacking energy: -397.800 Base-Backbone interact. energy: -0.428 local terms energy: -392.368249 where: bonds (distance) C4'-P energy: -68.006 bonds (distance) P-C4' energy: -58.754 flat angles C4'-P-C4' energy: -83.345 flat angles P-C4'-P energy: -56.274 tors. eta vs tors. theta energy: -125.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1166.714098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.714098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.714098 (E_RNA) where: Base-Base interactions energy: -829.256 where: short stacking energy: -317.905 Base-Backbone interact. energy: 0.522 local terms energy: -337.979770 where: bonds (distance) C4'-P energy: -73.915 bonds (distance) P-C4' energy: -65.482 flat angles C4'-P-C4' energy: -73.950 flat angles P-C4'-P energy: -46.230 tors. eta vs tors. theta energy: -78.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1205.226215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.226215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.226215 (E_RNA) where: Base-Base interactions energy: -874.515 where: short stacking energy: -345.570 Base-Backbone interact. energy: -1.876 local terms energy: -328.834979 where: bonds (distance) C4'-P energy: -59.947 bonds (distance) P-C4' energy: -57.435 flat angles C4'-P-C4' energy: -69.194 flat angles P-C4'-P energy: -43.354 tors. eta vs tors. theta energy: -98.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1714.784811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.784811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.784811 (E_RNA) where: Base-Base interactions energy: -1249.112 where: short stacking energy: -482.999 Base-Backbone interact. energy: 1.047 local terms energy: -466.719746 where: bonds (distance) C4'-P energy: -76.690 bonds (distance) P-C4' energy: -74.237 flat angles C4'-P-C4' energy: -95.988 flat angles P-C4'-P energy: -69.095 tors. eta vs tors. theta energy: -150.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1585.447698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.447698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.447698 (E_RNA) where: Base-Base interactions energy: -1153.404 where: short stacking energy: -438.984 Base-Backbone interact. energy: -0.148 local terms energy: -431.896079 where: bonds (distance) C4'-P energy: -71.524 bonds (distance) P-C4' energy: -81.387 flat angles C4'-P-C4' energy: -89.394 flat angles P-C4'-P energy: -60.735 tors. eta vs tors. theta energy: -128.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1567.057133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.057133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.057133 (E_RNA) where: Base-Base interactions energy: -1159.772 where: short stacking energy: -453.169 Base-Backbone interact. energy: 0.480 local terms energy: -407.765862 where: bonds (distance) C4'-P energy: -64.771 bonds (distance) P-C4' energy: -72.062 flat angles C4'-P-C4' energy: -91.423 flat angles P-C4'-P energy: -44.860 tors. eta vs tors. theta energy: -134.649 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: 2 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1545.318580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.318580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.318580 (E_RNA) where: Base-Base interactions energy: -1126.699 where: short stacking energy: -436.724 Base-Backbone interact. energy: -0.247 local terms energy: -418.372302 where: bonds (distance) C4'-P energy: -63.130 bonds (distance) P-C4' energy: -73.648 flat angles C4'-P-C4' energy: -90.155 flat angles P-C4'-P energy: -59.885 tors. eta vs tors. theta energy: -131.555 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: 10 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1479.136914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.136914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.136914 (E_RNA) where: Base-Base interactions energy: -1077.805 where: short stacking energy: -427.152 Base-Backbone interact. energy: 1.661 local terms energy: -402.992773 where: bonds (distance) C4'-P energy: -64.269 bonds (distance) P-C4' energy: -69.204 flat angles C4'-P-C4' energy: -87.537 flat angles P-C4'-P energy: -57.018 tors. eta vs tors. theta energy: -124.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1482.710570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.710570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.710570 (E_RNA) where: Base-Base interactions energy: -1083.408 where: short stacking energy: -418.029 Base-Backbone interact. energy: 0.043 local terms energy: -399.345670 where: bonds (distance) C4'-P energy: -62.777 bonds (distance) P-C4' energy: -66.716 flat angles C4'-P-C4' energy: -79.921 flat angles P-C4'-P energy: -67.505 tors. eta vs tors. theta energy: -122.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1418.277711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.277711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.277711 (E_RNA) where: Base-Base interactions energy: -1038.450 where: short stacking energy: -407.773 Base-Backbone interact. energy: 0.068 local terms energy: -379.896464 where: bonds (distance) C4'-P energy: -70.074 bonds (distance) P-C4' energy: -49.701 flat angles C4'-P-C4' energy: -85.090 flat angles P-C4'-P energy: -60.019 tors. eta vs tors. theta energy: -115.013 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: 4 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1359.765360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.765360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.765360 (E_RNA) where: Base-Base interactions energy: -999.953 where: short stacking energy: -390.787 Base-Backbone interact. energy: -0.326 local terms energy: -359.486237 where: bonds (distance) C4'-P energy: -68.264 bonds (distance) P-C4' energy: -58.166 flat angles C4'-P-C4' energy: -76.979 flat angles P-C4'-P energy: -48.386 tors. eta vs tors. theta energy: -107.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1172.368721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.368721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.368721 (E_RNA) where: Base-Base interactions energy: -864.535 where: short stacking energy: -333.416 Base-Backbone interact. energy: -0.647 local terms energy: -307.187331 where: bonds (distance) C4'-P energy: -54.018 bonds (distance) P-C4' energy: -40.576 flat angles C4'-P-C4' energy: -71.852 flat angles P-C4'-P energy: -45.752 tors. eta vs tors. theta energy: -94.989 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: 8 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1196.144532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.144532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.144532 (E_RNA) where: Base-Base interactions energy: -888.301 where: short stacking energy: -344.683 Base-Backbone interact. energy: 3.551 local terms energy: -311.394369 where: bonds (distance) C4'-P energy: -53.042 bonds (distance) P-C4' energy: -54.939 flat angles C4'-P-C4' energy: -66.758 flat angles P-C4'-P energy: -43.402 tors. eta vs tors. theta energy: -93.253 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: 5 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1714.735781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.735781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.735781 (E_RNA) where: Base-Base interactions energy: -1255.552 where: short stacking energy: -488.016 Base-Backbone interact. energy: -0.467 local terms energy: -458.717177 where: bonds (distance) C4'-P energy: -69.830 bonds (distance) P-C4' energy: -84.122 flat angles C4'-P-C4' energy: -94.899 flat angles P-C4'-P energy: -61.355 tors. eta vs tors. theta energy: -148.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1593.909925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.909925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.909925 (E_RNA) where: Base-Base interactions energy: -1171.409 where: short stacking energy: -450.765 Base-Backbone interact. energy: -0.759 local terms energy: -421.741962 where: bonds (distance) C4'-P energy: -68.288 bonds (distance) P-C4' energy: -74.762 flat angles C4'-P-C4' energy: -86.295 flat angles P-C4'-P energy: -60.665 tors. eta vs tors. theta energy: -131.732 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: 3 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1540.047702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.047702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.047702 (E_RNA) where: Base-Base interactions energy: -1129.679 where: short stacking energy: -430.686 Base-Backbone interact. energy: -0.550 local terms energy: -409.818816 where: bonds (distance) C4'-P energy: -65.993 bonds (distance) P-C4' energy: -68.389 flat angles C4'-P-C4' energy: -90.687 flat angles P-C4'-P energy: -58.020 tors. eta vs tors. theta energy: -126.730 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: 2 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1532.870507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.870507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.870507 (E_RNA) where: Base-Base interactions energy: -1132.103 where: short stacking energy: -452.374 Base-Backbone interact. energy: -0.833 local terms energy: -399.933786 where: bonds (distance) C4'-P energy: -61.234 bonds (distance) P-C4' energy: -70.035 flat angles C4'-P-C4' energy: -84.096 flat angles P-C4'-P energy: -51.517 tors. eta vs tors. theta energy: -133.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1481.333239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.333239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.333239 (E_RNA) where: Base-Base interactions energy: -1064.476 where: short stacking energy: -418.400 Base-Backbone interact. energy: -0.482 local terms energy: -416.374846 where: bonds (distance) C4'-P energy: -75.376 bonds (distance) P-C4' energy: -70.471 flat angles C4'-P-C4' energy: -85.450 flat angles P-C4'-P energy: -62.721 tors. eta vs tors. theta energy: -122.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1457.995862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.995862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.995862 (E_RNA) where: Base-Base interactions energy: -1056.528 where: short stacking energy: -410.682 Base-Backbone interact. energy: -0.783 local terms energy: -400.684467 where: bonds (distance) C4'-P energy: -73.325 bonds (distance) P-C4' energy: -63.486 flat angles C4'-P-C4' energy: -83.997 flat angles P-C4'-P energy: -56.344 tors. eta vs tors. theta energy: -123.532 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: 1 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1461.649789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.649789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.649789 (E_RNA) where: Base-Base interactions energy: -1089.927 where: short stacking energy: -428.084 Base-Backbone interact. energy: -1.083 local terms energy: -370.639409 where: bonds (distance) C4'-P energy: -52.997 bonds (distance) P-C4' energy: -73.084 flat angles C4'-P-C4' energy: -75.930 flat angles P-C4'-P energy: -47.800 tors. eta vs tors. theta energy: -120.828 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: 4 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1367.668369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.668369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.668369 (E_RNA) where: Base-Base interactions energy: -1023.032 where: short stacking energy: -390.665 Base-Backbone interact. energy: -1.271 local terms energy: -343.365129 where: bonds (distance) C4'-P energy: -67.846 bonds (distance) P-C4' energy: -49.707 flat angles C4'-P-C4' energy: -70.204 flat angles P-C4'-P energy: -33.918 tors. eta vs tors. theta energy: -121.691 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: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1206.191107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.191107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.191107 (E_RNA) where: Base-Base interactions energy: -863.697 where: short stacking energy: -336.119 Base-Backbone interact. energy: 1.227 local terms energy: -343.721757 where: bonds (distance) C4'-P energy: -61.632 bonds (distance) P-C4' energy: -73.049 flat angles C4'-P-C4' energy: -65.063 flat angles P-C4'-P energy: -55.554 tors. eta vs tors. theta energy: -88.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1160.000634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.000634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.000634 (E_RNA) where: Base-Base interactions energy: -834.063 where: short stacking energy: -312.403 Base-Backbone interact. energy: 0.005 local terms energy: -325.942072 where: bonds (distance) C4'-P energy: -61.526 bonds (distance) P-C4' energy: -65.949 flat angles C4'-P-C4' energy: -66.415 flat angles P-C4'-P energy: -44.945 tors. eta vs tors. theta energy: -87.107 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: 5 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1710.407145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.407145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.407145 (E_RNA) where: Base-Base interactions energy: -1227.110 where: short stacking energy: -477.564 Base-Backbone interact. energy: -0.109 local terms energy: -483.188172 where: bonds (distance) C4'-P energy: -76.954 bonds (distance) P-C4' energy: -86.321 flat angles C4'-P-C4' energy: -95.196 flat angles P-C4'-P energy: -73.805 tors. eta vs tors. theta energy: -150.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1591.850146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.850146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.850146 (E_RNA) where: Base-Base interactions energy: -1158.930 where: short stacking energy: -448.303 Base-Backbone interact. energy: -0.680 local terms energy: -432.240762 where: bonds (distance) C4'-P energy: -84.073 bonds (distance) P-C4' energy: -71.639 flat angles C4'-P-C4' energy: -88.758 flat angles P-C4'-P energy: -55.955 tors. eta vs tors. theta energy: -131.816 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: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1561.125195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.125195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.125195 (E_RNA) where: Base-Base interactions energy: -1132.609 where: short stacking energy: -441.962 Base-Backbone interact. energy: -0.997 local terms energy: -427.518436 where: bonds (distance) C4'-P energy: -77.660 bonds (distance) P-C4' energy: -72.828 flat angles C4'-P-C4' energy: -85.644 flat angles P-C4'-P energy: -62.301 tors. eta vs tors. theta energy: -129.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1543.125985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.125985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.125985 (E_RNA) where: Base-Base interactions energy: -1130.069 where: short stacking energy: -452.145 Base-Backbone interact. energy: -0.528 local terms energy: -412.529109 where: bonds (distance) C4'-P energy: -66.632 bonds (distance) P-C4' energy: -72.736 flat angles C4'-P-C4' energy: -83.532 flat angles P-C4'-P energy: -60.879 tors. eta vs tors. theta energy: -128.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1463.012622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.012622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.012622 (E_RNA) where: Base-Base interactions energy: -1070.327 where: short stacking energy: -410.836 Base-Backbone interact. energy: -0.241 local terms energy: -392.444316 where: bonds (distance) C4'-P energy: -64.086 bonds (distance) P-C4' energy: -66.633 flat angles C4'-P-C4' energy: -73.054 flat angles P-C4'-P energy: -62.855 tors. eta vs tors. theta energy: -125.817 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: 6, replica: 9 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1447.402953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.402953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.402953 (E_RNA) where: Base-Base interactions energy: -1041.212 where: short stacking energy: -400.748 Base-Backbone interact. energy: -0.481 local terms energy: -405.709479 where: bonds (distance) C4'-P energy: -77.546 bonds (distance) P-C4' energy: -61.375 flat angles C4'-P-C4' energy: -80.243 flat angles P-C4'-P energy: -66.326 tors. eta vs tors. theta energy: -120.220 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: 1 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1458.425007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.425007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.425007 (E_RNA) where: Base-Base interactions energy: -1048.691 where: short stacking energy: -407.139 Base-Backbone interact. energy: 0.210 local terms energy: -409.943892 where: bonds (distance) C4'-P energy: -69.118 bonds (distance) P-C4' energy: -70.170 flat angles C4'-P-C4' energy: -81.988 flat angles P-C4'-P energy: -63.922 tors. eta vs tors. theta energy: -124.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1375.830511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.830511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.830511 (E_RNA) where: Base-Base interactions energy: -999.219 where: short stacking energy: -384.822 Base-Backbone interact. energy: 4.348 local terms energy: -380.959098 where: bonds (distance) C4'-P energy: -61.873 bonds (distance) P-C4' energy: -63.955 flat angles C4'-P-C4' energy: -83.338 flat angles P-C4'-P energy: -55.533 tors. eta vs tors. theta energy: -116.260 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: 406 Temperature: 1.300000 Total energy: -1178.368612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.368612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.368612 (E_RNA) where: Base-Base interactions energy: -872.522 where: short stacking energy: -318.878 Base-Backbone interact. energy: -1.272 local terms energy: -304.574606 where: bonds (distance) C4'-P energy: -48.619 bonds (distance) P-C4' energy: -49.415 flat angles C4'-P-C4' energy: -67.580 flat angles P-C4'-P energy: -59.166 tors. eta vs tors. theta energy: -79.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1166.949415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.949415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.949415 (E_RNA) where: Base-Base interactions energy: -813.039 where: short stacking energy: -319.620 Base-Backbone interact. energy: -0.915 local terms energy: -352.995031 where: bonds (distance) C4'-P energy: -77.467 bonds (distance) P-C4' energy: -58.792 flat angles C4'-P-C4' energy: -78.707 flat angles P-C4'-P energy: -44.260 tors. eta vs tors. theta energy: -93.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1710.769434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.769434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.769434 (E_RNA) where: Base-Base interactions energy: -1236.050 where: short stacking energy: -483.487 Base-Backbone interact. energy: -0.128 local terms energy: -474.591711 where: bonds (distance) C4'-P energy: -81.337 bonds (distance) P-C4' energy: -81.297 flat angles C4'-P-C4' energy: -89.443 flat angles P-C4'-P energy: -72.322 tors. eta vs tors. theta energy: -150.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1587.988348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.988348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.988348 (E_RNA) where: Base-Base interactions energy: -1155.265 where: short stacking energy: -436.741 Base-Backbone interact. energy: -0.376 local terms energy: -432.347685 where: bonds (distance) C4'-P energy: -76.790 bonds (distance) P-C4' energy: -74.043 flat angles C4'-P-C4' energy: -92.402 flat angles P-C4'-P energy: -66.903 tors. eta vs tors. theta energy: -122.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1551.946184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.946184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.946184 (E_RNA) where: Base-Base interactions energy: -1138.742 where: short stacking energy: -435.627 Base-Backbone interact. energy: 0.124 local terms energy: -413.327724 where: bonds (distance) C4'-P energy: -71.121 bonds (distance) P-C4' energy: -72.817 flat angles C4'-P-C4' energy: -82.927 flat angles P-C4'-P energy: -64.325 tors. eta vs tors. theta energy: -122.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1525.734408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.734408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.734408 (E_RNA) where: Base-Base interactions energy: -1110.840 where: short stacking energy: -431.112 Base-Backbone interact. energy: -0.498 local terms energy: -414.396630 where: bonds (distance) C4'-P energy: -72.951 bonds (distance) P-C4' energy: -62.845 flat angles C4'-P-C4' energy: -85.516 flat angles P-C4'-P energy: -57.076 tors. eta vs tors. theta energy: -136.008 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: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1472.996782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.996782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.996782 (E_RNA) where: Base-Base interactions energy: -1059.909 where: short stacking energy: -404.730 Base-Backbone interact. energy: 0.470 local terms energy: -413.557736 where: bonds (distance) C4'-P energy: -81.362 bonds (distance) P-C4' energy: -69.123 flat angles C4'-P-C4' energy: -76.821 flat angles P-C4'-P energy: -59.872 tors. eta vs tors. theta energy: -126.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1474.937125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.937125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.937125 (E_RNA) where: Base-Base interactions energy: -1081.605 where: short stacking energy: -427.336 Base-Backbone interact. energy: -0.259 local terms energy: -393.072730 where: bonds (distance) C4'-P energy: -58.332 bonds (distance) P-C4' energy: -64.040 flat angles C4'-P-C4' energy: -81.249 flat angles P-C4'-P energy: -60.698 tors. eta vs tors. theta energy: -128.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1421.772933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.772933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.772933 (E_RNA) where: Base-Base interactions energy: -1046.968 where: short stacking energy: -412.299 Base-Backbone interact. energy: -0.426 local terms energy: -374.379366 where: bonds (distance) C4'-P energy: -54.655 bonds (distance) P-C4' energy: -72.294 flat angles C4'-P-C4' energy: -74.138 flat angles P-C4'-P energy: -47.516 tors. eta vs tors. theta energy: -125.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1337.321977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.321977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.321977 (E_RNA) where: Base-Base interactions energy: -969.059 where: short stacking energy: -367.633 Base-Backbone interact. energy: -1.560 local terms energy: -366.703098 where: bonds (distance) C4'-P energy: -62.425 bonds (distance) P-C4' energy: -66.968 flat angles C4'-P-C4' energy: -76.650 flat angles P-C4'-P energy: -53.002 tors. eta vs tors. theta energy: -107.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1228.009983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.009983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.009983 (E_RNA) where: Base-Base interactions energy: -898.907 where: short stacking energy: -344.014 Base-Backbone interact. energy: -1.032 local terms energy: -328.070747 where: bonds (distance) C4'-P energy: -65.023 bonds (distance) P-C4' energy: -52.146 flat angles C4'-P-C4' energy: -77.976 flat angles P-C4'-P energy: -33.657 tors. eta vs tors. theta energy: -99.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1111.136390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.136390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.136390 (E_RNA) where: Base-Base interactions energy: -785.620 where: short stacking energy: -309.101 Base-Backbone interact. energy: 1.741 local terms energy: -327.257966 where: bonds (distance) C4'-P energy: -59.318 bonds (distance) P-C4' energy: -67.319 flat angles C4'-P-C4' energy: -60.408 flat angles P-C4'-P energy: -49.054 tors. eta vs tors. theta energy: -91.160 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: 5 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1723.481968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.481968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.481968 (E_RNA) where: Base-Base interactions energy: -1254.160 where: short stacking energy: -504.087 Base-Backbone interact. energy: -0.057 local terms energy: -469.264712 where: bonds (distance) C4'-P energy: -74.799 bonds (distance) P-C4' energy: -76.831 flat angles C4'-P-C4' energy: -97.331 flat angles P-C4'-P energy: -70.828 tors. eta vs tors. theta energy: -149.475 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: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1592.992973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.992973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.992973 (E_RNA) where: Base-Base interactions energy: -1157.089 where: short stacking energy: -449.973 Base-Backbone interact. energy: -0.937 local terms energy: -434.967097 where: bonds (distance) C4'-P energy: -78.372 bonds (distance) P-C4' energy: -69.549 flat angles C4'-P-C4' energy: -92.138 flat angles P-C4'-P energy: -63.378 tors. eta vs tors. theta energy: -131.530 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: 408 Temperature: 1.000000 Total energy: -1558.838467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.838467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.838467 (E_RNA) where: Base-Base interactions energy: -1136.131 where: short stacking energy: -449.707 Base-Backbone interact. energy: -1.359 local terms energy: -421.348476 where: bonds (distance) C4'-P energy: -74.684 bonds (distance) P-C4' energy: -73.303 flat angles C4'-P-C4' energy: -90.502 flat angles P-C4'-P energy: -49.161 tors. eta vs tors. theta energy: -133.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1532.664913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.664913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.664913 (E_RNA) where: Base-Base interactions energy: -1106.565 where: short stacking energy: -431.061 Base-Backbone interact. energy: -1.068 local terms energy: -425.031503 where: bonds (distance) C4'-P energy: -77.853 bonds (distance) P-C4' energy: -68.696 flat angles C4'-P-C4' energy: -90.997 flat angles P-C4'-P energy: -60.454 tors. eta vs tors. theta energy: -127.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1515.381722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.381722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.381722 (E_RNA) where: Base-Base interactions energy: -1116.071 where: short stacking energy: -443.343 Base-Backbone interact. energy: -0.641 local terms energy: -398.669345 where: bonds (distance) C4'-P energy: -62.834 bonds (distance) P-C4' energy: -68.696 flat angles C4'-P-C4' energy: -86.894 flat angles P-C4'-P energy: -49.527 tors. eta vs tors. theta energy: -130.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1477.116014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.116014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.116014 (E_RNA) where: Base-Base interactions energy: -1070.198 where: short stacking energy: -415.478 Base-Backbone interact. energy: -0.257 local terms energy: -406.661016 where: bonds (distance) C4'-P energy: -76.244 bonds (distance) P-C4' energy: -62.287 flat angles C4'-P-C4' energy: -83.530 flat angles P-C4'-P energy: -59.540 tors. eta vs tors. theta energy: -125.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1372.712263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.712263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.712263 (E_RNA) where: Base-Base interactions energy: -1014.551 where: short stacking energy: -375.941 Base-Backbone interact. energy: -1.076 local terms energy: -357.084851 where: bonds (distance) C4'-P energy: -53.235 bonds (distance) P-C4' energy: -65.728 flat angles C4'-P-C4' energy: -76.169 flat angles P-C4'-P energy: -51.300 tors. eta vs tors. theta energy: -110.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1384.835313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.835313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.835313 (E_RNA) where: Base-Base interactions energy: -1011.772 where: short stacking energy: -399.557 Base-Backbone interact. energy: -0.771 local terms energy: -372.292711 where: bonds (distance) C4'-P energy: -59.676 bonds (distance) P-C4' energy: -53.699 flat angles C4'-P-C4' energy: -77.585 flat angles P-C4'-P energy: -57.392 tors. eta vs tors. theta energy: -123.940 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: 9, replica: 8 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1186.747830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.747830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.747830 (E_RNA) where: Base-Base interactions energy: -856.919 where: short stacking energy: -343.401 Base-Backbone interact. energy: 5.716 local terms energy: -335.544735 where: bonds (distance) C4'-P energy: -65.570 bonds (distance) P-C4' energy: -58.783 flat angles C4'-P-C4' energy: -74.094 flat angles P-C4'-P energy: -41.057 tors. eta vs tors. theta energy: -96.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1212.826280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.826280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.826280 (E_RNA) where: Base-Base interactions energy: -864.806 where: short stacking energy: -339.044 Base-Backbone interact. energy: 0.089 local terms energy: -348.109893 where: bonds (distance) C4'-P energy: -60.048 bonds (distance) P-C4' energy: -56.220 flat angles C4'-P-C4' energy: -83.745 flat angles P-C4'-P energy: -50.188 tors. eta vs tors. theta energy: -97.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1725.942734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.942734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.942734 (E_RNA) where: Base-Base interactions energy: -1261.515 where: short stacking energy: -494.309 Base-Backbone interact. energy: -0.455 local terms energy: -463.972436 where: bonds (distance) C4'-P energy: -79.645 bonds (distance) P-C4' energy: -72.327 flat angles C4'-P-C4' energy: -92.170 flat angles P-C4'-P energy: -70.135 tors. eta vs tors. theta energy: -149.695 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: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1599.137682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.137682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.137682 (E_RNA) where: Base-Base interactions energy: -1160.164 where: short stacking energy: -437.561 Base-Backbone interact. energy: 0.469 local terms energy: -439.443036 where: bonds (distance) C4'-P energy: -70.122 bonds (distance) P-C4' energy: -82.895 flat angles C4'-P-C4' energy: -89.854 flat angles P-C4'-P energy: -64.787 tors. eta vs tors. theta energy: -131.786 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: 3, replica: 2 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1571.166017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.166017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.166017 (E_RNA) where: Base-Base interactions energy: -1161.257 where: short stacking energy: -450.819 Base-Backbone interact. energy: -0.768 local terms energy: -409.141152 where: bonds (distance) C4'-P energy: -65.459 bonds (distance) P-C4' energy: -65.775 flat angles C4'-P-C4' energy: -82.605 flat angles P-C4'-P energy: -59.402 tors. eta vs tors. theta energy: -135.899 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: 3 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1531.449766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.449766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.449766 (E_RNA) where: Base-Base interactions energy: -1119.620 where: short stacking energy: -427.748 Base-Backbone interact. energy: -1.520 local terms energy: -410.309581 where: bonds (distance) C4'-P energy: -63.035 bonds (distance) P-C4' energy: -74.073 flat angles C4'-P-C4' energy: -89.325 flat angles P-C4'-P energy: -58.381 tors. eta vs tors. theta energy: -125.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1498.285520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.285520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.285520 (E_RNA) where: Base-Base interactions energy: -1090.071 where: short stacking energy: -422.726 Base-Backbone interact. energy: -0.945 local terms energy: -407.270452 where: bonds (distance) C4'-P energy: -65.672 bonds (distance) P-C4' energy: -71.455 flat angles C4'-P-C4' energy: -85.214 flat angles P-C4'-P energy: -61.635 tors. eta vs tors. theta energy: -123.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1459.165263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.165263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.165263 (E_RNA) where: Base-Base interactions energy: -1061.733 where: short stacking energy: -422.944 Base-Backbone interact. energy: -0.482 local terms energy: -396.950726 where: bonds (distance) C4'-P energy: -75.357 bonds (distance) P-C4' energy: -69.321 flat angles C4'-P-C4' energy: -76.765 flat angles P-C4'-P energy: -53.375 tors. eta vs tors. theta energy: -122.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1379.107295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.107295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.107295 (E_RNA) where: Base-Base interactions energy: -996.720 where: short stacking energy: -381.386 Base-Backbone interact. energy: -1.203 local terms energy: -381.183989 where: bonds (distance) C4'-P energy: -65.997 bonds (distance) P-C4' energy: -75.500 flat angles C4'-P-C4' energy: -81.531 flat angles P-C4'-P energy: -46.210 tors. eta vs tors. theta energy: -111.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1372.632012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.632012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.632012 (E_RNA) where: Base-Base interactions energy: -1018.428 where: short stacking energy: -387.716 Base-Backbone interact. energy: 1.331 local terms energy: -355.535413 where: bonds (distance) C4'-P energy: -56.610 bonds (distance) P-C4' energy: -46.042 flat angles C4'-P-C4' energy: -83.964 flat angles P-C4'-P energy: -52.726 tors. eta vs tors. theta energy: -116.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1196.901612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.901612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.901612 (E_RNA) where: Base-Base interactions energy: -850.485 where: short stacking energy: -337.273 Base-Backbone interact. energy: -0.836 local terms energy: -345.581162 where: bonds (distance) C4'-P energy: -57.809 bonds (distance) P-C4' energy: -71.129 flat angles C4'-P-C4' energy: -79.925 flat angles P-C4'-P energy: -42.044 tors. eta vs tors. theta energy: -94.675 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: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1173.902637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.902637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.902637 (E_RNA) where: Base-Base interactions energy: -839.747 where: short stacking energy: -330.983 Base-Backbone interact. energy: 1.419 local terms energy: -335.575426 where: bonds (distance) C4'-P energy: -66.255 bonds (distance) P-C4' energy: -61.398 flat angles C4'-P-C4' energy: -63.442 flat angles P-C4'-P energy: -55.774 tors. eta vs tors. theta energy: -88.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1730.449137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.449137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.449137 (E_RNA) where: Base-Base interactions energy: -1246.216 where: short stacking energy: -482.674 Base-Backbone interact. energy: -0.843 local terms energy: -483.389566 where: bonds (distance) C4'-P energy: -79.902 bonds (distance) P-C4' energy: -88.864 flat angles C4'-P-C4' energy: -96.088 flat angles P-C4'-P energy: -69.960 tors. eta vs tors. theta energy: -148.576 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: 2, replica: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1595.633506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.633506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.633506 (E_RNA) where: Base-Base interactions energy: -1157.394 where: short stacking energy: -452.966 Base-Backbone interact. energy: -1.775 local terms energy: -436.464573 where: bonds (distance) C4'-P energy: -73.873 bonds (distance) P-C4' energy: -81.094 flat angles C4'-P-C4' energy: -86.847 flat angles P-C4'-P energy: -64.394 tors. eta vs tors. theta energy: -130.256 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: 410 Temperature: 1.000000 Total energy: -1562.011718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.011718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.011718 (E_RNA) where: Base-Base interactions energy: -1142.657 where: short stacking energy: -450.194 Base-Backbone interact. energy: -1.474 local terms energy: -417.880328 where: bonds (distance) C4'-P energy: -65.103 bonds (distance) P-C4' energy: -66.414 flat angles C4'-P-C4' energy: -90.194 flat angles P-C4'-P energy: -63.833 tors. eta vs tors. theta energy: -132.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1513.826025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.826025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.826025 (E_RNA) where: Base-Base interactions energy: -1080.371 where: short stacking energy: -401.297 Base-Backbone interact. energy: -1.745 local terms energy: -431.710085 where: bonds (distance) C4'-P energy: -72.303 bonds (distance) P-C4' energy: -86.009 flat angles C4'-P-C4' energy: -91.020 flat angles P-C4'-P energy: -57.943 tors. eta vs tors. theta energy: -124.434 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: 10 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1480.505549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.505549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.505549 (E_RNA) where: Base-Base interactions energy: -1088.177 where: short stacking energy: -429.668 Base-Backbone interact. energy: -1.266 local terms energy: -391.063171 where: bonds (distance) C4'-P energy: -70.283 bonds (distance) P-C4' energy: -52.964 flat angles C4'-P-C4' energy: -76.177 flat angles P-C4'-P energy: -64.263 tors. eta vs tors. theta energy: -127.375 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: 1 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1472.961993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.961993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.961993 (E_RNA) where: Base-Base interactions energy: -1061.293 where: short stacking energy: -409.736 Base-Backbone interact. energy: -1.108 local terms energy: -410.561131 where: bonds (distance) C4'-P energy: -64.966 bonds (distance) P-C4' energy: -74.811 flat angles C4'-P-C4' energy: -89.023 flat angles P-C4'-P energy: -56.086 tors. eta vs tors. theta energy: -125.676 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: 410 Temperature: 1.200000 Total energy: -1384.463397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.463397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.463397 (E_RNA) where: Base-Base interactions energy: -1034.968 where: short stacking energy: -413.895 Base-Backbone interact. energy: 0.928 local terms energy: -350.423334 where: bonds (distance) C4'-P energy: -53.056 bonds (distance) P-C4' energy: -50.625 flat angles C4'-P-C4' energy: -79.656 flat angles P-C4'-P energy: -53.698 tors. eta vs tors. theta energy: -113.388 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: 4 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1366.245292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.245292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.245292 (E_RNA) where: Base-Base interactions energy: -984.684 where: short stacking energy: -363.478 Base-Backbone interact. energy: -1.065 local terms energy: -380.496454 where: bonds (distance) C4'-P energy: -67.608 bonds (distance) P-C4' energy: -68.747 flat angles C4'-P-C4' energy: -85.028 flat angles P-C4'-P energy: -48.912 tors. eta vs tors. theta energy: -110.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1180.185712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.185712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.185712 (E_RNA) where: Base-Base interactions energy: -846.940 where: short stacking energy: -333.271 Base-Backbone interact. energy: -0.594 local terms energy: -332.651894 where: bonds (distance) C4'-P energy: -57.316 bonds (distance) P-C4' energy: -59.206 flat angles C4'-P-C4' energy: -75.433 flat angles P-C4'-P energy: -40.621 tors. eta vs tors. theta energy: -100.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1163.425478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.425478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.425478 (E_RNA) where: Base-Base interactions energy: -821.034 where: short stacking energy: -329.594 Base-Backbone interact. energy: -0.149 local terms energy: -342.243224 where: bonds (distance) C4'-P energy: -56.165 bonds (distance) P-C4' energy: -53.811 flat angles C4'-P-C4' energy: -82.417 flat angles P-C4'-P energy: -44.304 tors. eta vs tors. theta energy: -105.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1706.365598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.365598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.365598 (E_RNA) where: Base-Base interactions energy: -1252.598 where: short stacking energy: -490.000 Base-Backbone interact. energy: -0.127 local terms energy: -453.640581 where: bonds (distance) C4'-P energy: -74.908 bonds (distance) P-C4' energy: -73.335 flat angles C4'-P-C4' energy: -87.125 flat angles P-C4'-P energy: -69.779 tors. eta vs tors. theta energy: -148.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1606.111013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.111013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.111013 (E_RNA) where: Base-Base interactions energy: -1175.161 where: short stacking energy: -466.616 Base-Backbone interact. energy: -0.140 local terms energy: -430.809566 where: bonds (distance) C4'-P energy: -65.877 bonds (distance) P-C4' energy: -78.491 flat angles C4'-P-C4' energy: -97.142 flat angles P-C4'-P energy: -52.873 tors. eta vs tors. theta energy: -136.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1560.072219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.072219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.072219 (E_RNA) where: Base-Base interactions energy: -1131.065 where: short stacking energy: -447.087 Base-Backbone interact. energy: -1.831 local terms energy: -427.175834 where: bonds (distance) C4'-P energy: -59.950 bonds (distance) P-C4' energy: -84.770 flat angles C4'-P-C4' energy: -86.494 flat angles P-C4'-P energy: -64.818 tors. eta vs tors. theta energy: -131.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1502.296775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.296775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.296775 (E_RNA) where: Base-Base interactions energy: -1078.640 where: short stacking energy: -427.930 Base-Backbone interact. energy: 1.517 local terms energy: -425.173511 where: bonds (distance) C4'-P energy: -70.254 bonds (distance) P-C4' energy: -65.668 flat angles C4'-P-C4' energy: -91.809 flat angles P-C4'-P energy: -66.548 tors. eta vs tors. theta energy: -130.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1494.802860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.802860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.802860 (E_RNA) where: Base-Base interactions energy: -1103.881 where: short stacking energy: -416.736 Base-Backbone interact. energy: 1.991 local terms energy: -392.912763 where: bonds (distance) C4'-P energy: -61.677 bonds (distance) P-C4' energy: -71.354 flat angles C4'-P-C4' energy: -85.548 flat angles P-C4'-P energy: -51.900 tors. eta vs tors. theta energy: -122.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1477.551800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.551800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.551800 (E_RNA) where: Base-Base interactions energy: -1106.819 where: short stacking energy: -424.003 Base-Backbone interact. energy: -0.633 local terms energy: -370.099618 where: bonds (distance) C4'-P energy: -40.707 bonds (distance) P-C4' energy: -68.976 flat angles C4'-P-C4' energy: -81.693 flat angles P-C4'-P energy: -55.030 tors. eta vs tors. theta energy: -123.694 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: 9 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1408.468205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.468205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.468205 (E_RNA) where: Base-Base interactions energy: -1039.013 where: short stacking energy: -404.112 Base-Backbone interact. energy: -0.781 local terms energy: -368.673404 where: bonds (distance) C4'-P energy: -56.100 bonds (distance) P-C4' energy: -74.839 flat angles C4'-P-C4' energy: -82.730 flat angles P-C4'-P energy: -44.557 tors. eta vs tors. theta energy: -110.447 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: 4 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1381.870653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.870653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.870653 (E_RNA) where: Base-Base interactions energy: -1028.865 where: short stacking energy: -394.464 Base-Backbone interact. energy: 1.331 local terms energy: -354.336785 where: bonds (distance) C4'-P energy: -55.445 bonds (distance) P-C4' energy: -60.111 flat angles C4'-P-C4' energy: -76.471 flat angles P-C4'-P energy: -42.164 tors. eta vs tors. theta energy: -120.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1208.498616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.498616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.498616 (E_RNA) where: Base-Base interactions energy: -857.714 where: short stacking energy: -342.716 Base-Backbone interact. energy: 0.005 local terms energy: -350.789536 where: bonds (distance) C4'-P energy: -59.991 bonds (distance) P-C4' energy: -59.423 flat angles C4'-P-C4' energy: -84.272 flat angles P-C4'-P energy: -50.142 tors. eta vs tors. theta energy: -96.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1159.802222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.802222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.802222 (E_RNA) where: Base-Base interactions energy: -851.364 where: short stacking energy: -325.979 Base-Backbone interact. energy: -0.584 local terms energy: -307.854118 where: bonds (distance) C4'-P energy: -57.357 bonds (distance) P-C4' energy: -42.710 flat angles C4'-P-C4' energy: -68.255 flat angles P-C4'-P energy: -43.436 tors. eta vs tors. theta energy: -96.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1700.722880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.722880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.722880 (E_RNA) where: Base-Base interactions energy: -1244.272 where: short stacking energy: -490.832 Base-Backbone interact. energy: -0.124 local terms energy: -456.326395 where: bonds (distance) C4'-P energy: -68.896 bonds (distance) P-C4' energy: -73.915 flat angles C4'-P-C4' energy: -92.966 flat angles P-C4'-P energy: -70.220 tors. eta vs tors. theta energy: -150.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1605.641208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.641208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.641208 (E_RNA) where: Base-Base interactions energy: -1169.487 where: short stacking energy: -456.963 Base-Backbone interact. energy: -0.083 local terms energy: -436.070847 where: bonds (distance) C4'-P energy: -77.306 bonds (distance) P-C4' energy: -76.777 flat angles C4'-P-C4' energy: -88.672 flat angles P-C4'-P energy: -57.077 tors. eta vs tors. theta energy: -136.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1568.225537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.225537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.225537 (E_RNA) where: Base-Base interactions energy: -1127.653 where: short stacking energy: -436.232 Base-Backbone interact. energy: 1.013 local terms energy: -441.585663 where: bonds (distance) C4'-P energy: -76.142 bonds (distance) P-C4' energy: -67.979 flat angles C4'-P-C4' energy: -91.534 flat angles P-C4'-P energy: -74.367 tors. eta vs tors. theta energy: -131.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1516.792236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.792236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.792236 (E_RNA) where: Base-Base interactions energy: -1092.240 where: short stacking energy: -430.392 Base-Backbone interact. energy: -1.119 local terms energy: -423.433679 where: bonds (distance) C4'-P energy: -74.752 bonds (distance) P-C4' energy: -74.210 flat angles C4'-P-C4' energy: -87.690 flat angles P-C4'-P energy: -58.154 tors. eta vs tors. theta energy: -128.629 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: 412 Temperature: 1.100000 Total energy: -1509.409492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.409492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.409492 (E_RNA) where: Base-Base interactions energy: -1101.155 where: short stacking energy: -430.928 Base-Backbone interact. energy: -0.159 local terms energy: -408.095217 where: bonds (distance) C4'-P energy: -66.933 bonds (distance) P-C4' energy: -62.886 flat angles C4'-P-C4' energy: -84.280 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: -123.737 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: 412 Temperature: 1.150000 Total energy: -1462.015593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.015593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.015593 (E_RNA) where: Base-Base interactions energy: -1072.441 where: short stacking energy: -410.106 Base-Backbone interact. energy: 0.104 local terms energy: -389.678595 where: bonds (distance) C4'-P energy: -75.922 bonds (distance) P-C4' energy: -66.473 flat angles C4'-P-C4' energy: -72.467 flat angles P-C4'-P energy: -56.654 tors. eta vs tors. theta energy: -118.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1417.359627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.359627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.359627 (E_RNA) where: Base-Base interactions energy: -1044.428 where: short stacking energy: -405.408 Base-Backbone interact. energy: -0.376 local terms energy: -372.556249 where: bonds (distance) C4'-P energy: -63.163 bonds (distance) P-C4' energy: -46.954 flat angles C4'-P-C4' energy: -85.454 flat angles P-C4'-P energy: -62.083 tors. eta vs tors. theta energy: -114.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1404.457008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.457008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.457008 (E_RNA) where: Base-Base interactions energy: -1042.405 where: short stacking energy: -416.317 Base-Backbone interact. energy: 0.004 local terms energy: -362.056297 where: bonds (distance) C4'-P energy: -53.342 bonds (distance) P-C4' energy: -46.957 flat angles C4'-P-C4' energy: -82.751 flat angles P-C4'-P energy: -54.709 tors. eta vs tors. theta energy: -124.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1259.970708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.970708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.970708 (E_RNA) where: Base-Base interactions energy: -911.180 where: short stacking energy: -365.027 Base-Backbone interact. energy: -0.361 local terms energy: -348.429083 where: bonds (distance) C4'-P energy: -56.250 bonds (distance) P-C4' energy: -64.444 flat angles C4'-P-C4' energy: -74.002 flat angles P-C4'-P energy: -49.889 tors. eta vs tors. theta energy: -103.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -1196.408661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.408661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.408661 (E_RNA) where: Base-Base interactions energy: -885.423 where: short stacking energy: -346.034 Base-Backbone interact. energy: 0.964 local terms energy: -311.949454 where: bonds (distance) C4'-P energy: -35.131 bonds (distance) P-C4' energy: -55.149 flat angles C4'-P-C4' energy: -66.148 flat angles P-C4'-P energy: -56.566 tors. eta vs tors. theta energy: -98.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1710.797443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.797443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.797443 (E_RNA) where: Base-Base interactions energy: -1247.489 where: short stacking energy: -487.085 Base-Backbone interact. energy: 0.342 local terms energy: -463.650788 where: bonds (distance) C4'-P energy: -71.250 bonds (distance) P-C4' energy: -73.893 flat angles C4'-P-C4' energy: -94.933 flat angles P-C4'-P energy: -70.371 tors. eta vs tors. theta energy: -153.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1602.036718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.036718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.036718 (E_RNA) where: Base-Base interactions energy: -1180.280 where: short stacking energy: -465.447 Base-Backbone interact. energy: -1.633 local terms energy: -420.123833 where: bonds (distance) C4'-P energy: -68.961 bonds (distance) P-C4' energy: -71.913 flat angles C4'-P-C4' energy: -87.896 flat angles P-C4'-P energy: -54.404 tors. eta vs tors. theta energy: -136.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1568.034411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.034411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.034411 (E_RNA) where: Base-Base interactions energy: -1127.471 where: short stacking energy: -449.019 Base-Backbone interact. energy: -0.489 local terms energy: -440.074704 where: bonds (distance) C4'-P energy: -75.927 bonds (distance) P-C4' energy: -78.642 flat angles C4'-P-C4' energy: -88.066 flat angles P-C4'-P energy: -64.918 tors. eta vs tors. theta energy: -132.522 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: 1 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1528.919087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.919087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.919087 (E_RNA) where: Base-Base interactions energy: -1101.397 where: short stacking energy: -439.770 Base-Backbone interact. energy: -0.669 local terms energy: -426.852662 where: bonds (distance) C4'-P energy: -67.006 bonds (distance) P-C4' energy: -72.552 flat angles C4'-P-C4' energy: -89.384 flat angles P-C4'-P energy: -66.815 tors. eta vs tors. theta energy: -131.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1492.928299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.928299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.928299 (E_RNA) where: Base-Base interactions energy: -1068.594 where: short stacking energy: -421.205 Base-Backbone interact. energy: -0.377 local terms energy: -423.957340 where: bonds (distance) C4'-P energy: -70.392 bonds (distance) P-C4' energy: -78.127 flat angles C4'-P-C4' energy: -89.636 flat angles P-C4'-P energy: -64.255 tors. eta vs tors. theta energy: -121.548 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: 6, replica: 3 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1478.320081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.320081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.320081 (E_RNA) where: Base-Base interactions energy: -1084.211 where: short stacking energy: -423.141 Base-Backbone interact. energy: -0.265 local terms energy: -393.844566 where: bonds (distance) C4'-P energy: -60.809 bonds (distance) P-C4' energy: -66.214 flat angles C4'-P-C4' energy: -88.024 flat angles P-C4'-P energy: -55.941 tors. eta vs tors. theta energy: -122.856 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: 7, replica: 4 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1382.103771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.103771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.103771 (E_RNA) where: Base-Base interactions energy: -1004.293 where: short stacking energy: -399.772 Base-Backbone interact. energy: -0.300 local terms energy: -377.510339 where: bonds (distance) C4'-P energy: -55.500 bonds (distance) P-C4' energy: -58.497 flat angles C4'-P-C4' energy: -87.893 flat angles P-C4'-P energy: -50.160 tors. eta vs tors. theta energy: -125.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1339.462056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.462056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.462056 (E_RNA) where: Base-Base interactions energy: -976.563 where: short stacking energy: -374.981 Base-Backbone interact. energy: -0.256 local terms energy: -362.642919 where: bonds (distance) C4'-P energy: -62.766 bonds (distance) P-C4' energy: -55.379 flat angles C4'-P-C4' energy: -88.414 flat angles P-C4'-P energy: -46.394 tors. eta vs tors. theta energy: -109.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1236.716466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.716466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.716466 (E_RNA) where: Base-Base interactions energy: -895.837 where: short stacking energy: -335.007 Base-Backbone interact. energy: -0.006 local terms energy: -340.872680 where: bonds (distance) C4'-P energy: -69.186 bonds (distance) P-C4' energy: -61.403 flat angles C4'-P-C4' energy: -78.651 flat angles P-C4'-P energy: -39.153 tors. eta vs tors. theta energy: -92.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1172.972900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.972900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.972900 (E_RNA) where: Base-Base interactions energy: -850.036 where: short stacking energy: -324.976 Base-Backbone interact. energy: -0.201 local terms energy: -322.736728 where: bonds (distance) C4'-P energy: -57.600 bonds (distance) P-C4' energy: -51.440 flat angles C4'-P-C4' energy: -74.381 flat angles P-C4'-P energy: -51.317 tors. eta vs tors. theta energy: -87.999 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: 414 Temperature: 0.900000 Total energy: -1713.556518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.556518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.556518 (E_RNA) where: Base-Base interactions energy: -1247.993 where: short stacking energy: -492.783 Base-Backbone interact. energy: 0.370 local terms energy: -465.933418 where: bonds (distance) C4'-P energy: -74.562 bonds (distance) P-C4' energy: -74.347 flat angles C4'-P-C4' energy: -93.098 flat angles P-C4'-P energy: -73.072 tors. eta vs tors. theta energy: -150.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1601.653916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.653916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.653916 (E_RNA) where: Base-Base interactions energy: -1177.574 where: short stacking energy: -462.617 Base-Backbone interact. energy: 2.693 local terms energy: -426.772843 where: bonds (distance) C4'-P energy: -71.918 bonds (distance) P-C4' energy: -72.104 flat angles C4'-P-C4' energy: -96.964 flat angles P-C4'-P energy: -52.125 tors. eta vs tors. theta energy: -133.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1580.169591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.169591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.169591 (E_RNA) where: Base-Base interactions energy: -1156.930 where: short stacking energy: -457.043 Base-Backbone interact. energy: -0.507 local terms energy: -422.732363 where: bonds (distance) C4'-P energy: -77.360 bonds (distance) P-C4' energy: -68.490 flat angles C4'-P-C4' energy: -84.001 flat angles P-C4'-P energy: -52.776 tors. eta vs tors. theta energy: -140.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1537.639334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.639334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.639334 (E_RNA) where: Base-Base interactions energy: -1105.301 where: short stacking energy: -435.178 Base-Backbone interact. energy: -0.563 local terms energy: -431.775178 where: bonds (distance) C4'-P energy: -68.715 bonds (distance) P-C4' energy: -75.964 flat angles C4'-P-C4' energy: -92.275 flat angles P-C4'-P energy: -64.919 tors. eta vs tors. theta energy: -129.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1505.841977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.841977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.841977 (E_RNA) where: Base-Base interactions energy: -1124.747 where: short stacking energy: -426.435 Base-Backbone interact. energy: 1.821 local terms energy: -382.915281 where: bonds (distance) C4'-P energy: -59.775 bonds (distance) P-C4' energy: -66.578 flat angles C4'-P-C4' energy: -83.775 flat angles P-C4'-P energy: -54.481 tors. eta vs tors. theta energy: -118.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1460.735748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.735748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.735748 (E_RNA) where: Base-Base interactions energy: -1042.501 where: short stacking energy: -418.207 Base-Backbone interact. energy: -1.515 local terms energy: -416.719586 where: bonds (distance) C4'-P energy: -66.219 bonds (distance) P-C4' energy: -80.968 flat angles C4'-P-C4' energy: -87.804 flat angles P-C4'-P energy: -58.289 tors. eta vs tors. theta energy: -123.439 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: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1418.332697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.332697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.332697 (E_RNA) where: Base-Base interactions energy: -1030.230 where: short stacking energy: -382.852 Base-Backbone interact. energy: -0.119 local terms energy: -387.984315 where: bonds (distance) C4'-P energy: -67.570 bonds (distance) P-C4' energy: -69.091 flat angles C4'-P-C4' energy: -76.732 flat angles P-C4'-P energy: -54.171 tors. eta vs tors. theta energy: -120.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1341.155611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.155611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.155611 (E_RNA) where: Base-Base interactions energy: -973.116 where: short stacking energy: -380.081 Base-Backbone interact. energy: -0.559 local terms energy: -367.481000 where: bonds (distance) C4'-P energy: -55.473 bonds (distance) P-C4' energy: -68.567 flat angles C4'-P-C4' energy: -76.117 flat angles P-C4'-P energy: -51.694 tors. eta vs tors. theta energy: -115.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1265.377750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.377750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.377750 (E_RNA) where: Base-Base interactions energy: -902.564 where: short stacking energy: -357.167 Base-Backbone interact. energy: -0.503 local terms energy: -362.310659 where: bonds (distance) C4'-P energy: -60.799 bonds (distance) P-C4' energy: -66.134 flat angles C4'-P-C4' energy: -68.643 flat angles P-C4'-P energy: -59.242 tors. eta vs tors. theta energy: -107.493 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: 8 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1169.835348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.835348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.835348 (E_RNA) where: Base-Base interactions energy: -836.729 where: short stacking energy: -317.362 Base-Backbone interact. energy: 0.609 local terms energy: -333.715938 where: bonds (distance) C4'-P energy: -59.769 bonds (distance) P-C4' energy: -62.885 flat angles C4'-P-C4' energy: -82.037 flat angles P-C4'-P energy: -33.757 tors. eta vs tors. theta energy: -95.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1699.707173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.707173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.707173 (E_RNA) where: Base-Base interactions energy: -1222.851 where: short stacking energy: -462.805 Base-Backbone interact. energy: -1.467 local terms energy: -475.389285 where: bonds (distance) C4'-P energy: -90.775 bonds (distance) P-C4' energy: -80.253 flat angles C4'-P-C4' energy: -92.167 flat angles P-C4'-P energy: -64.738 tors. eta vs tors. theta energy: -147.457 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: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1621.291263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.291263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.291263 (E_RNA) where: Base-Base interactions energy: -1176.796 where: short stacking energy: -462.042 Base-Backbone interact. energy: -0.589 local terms energy: -443.905798 where: bonds (distance) C4'-P energy: -81.642 bonds (distance) P-C4' energy: -79.672 flat angles C4'-P-C4' energy: -90.479 flat angles P-C4'-P energy: -60.554 tors. eta vs tors. theta energy: -131.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1578.457801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.457801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.457801 (E_RNA) where: Base-Base interactions energy: -1149.746 where: short stacking energy: -448.916 Base-Backbone interact. energy: -0.765 local terms energy: -427.946525 where: bonds (distance) C4'-P energy: -69.846 bonds (distance) P-C4' energy: -70.676 flat angles C4'-P-C4' energy: -87.786 flat angles P-C4'-P energy: -60.662 tors. eta vs tors. theta energy: -138.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1538.829220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.829220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.829220 (E_RNA) where: Base-Base interactions energy: -1121.768 where: short stacking energy: -439.800 Base-Backbone interact. energy: -1.108 local terms energy: -415.952977 where: bonds (distance) C4'-P energy: -60.258 bonds (distance) P-C4' energy: -73.205 flat angles C4'-P-C4' energy: -93.084 flat angles P-C4'-P energy: -64.945 tors. eta vs tors. theta energy: -124.461 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: 3 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1498.465912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.465912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.465912 (E_RNA) where: Base-Base interactions energy: -1094.547 where: short stacking energy: -416.917 Base-Backbone interact. energy: 1.413 local terms energy: -405.332002 where: bonds (distance) C4'-P energy: -66.633 bonds (distance) P-C4' energy: -81.835 flat angles C4'-P-C4' energy: -78.619 flat angles P-C4'-P energy: -53.215 tors. eta vs tors. theta energy: -125.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1451.800658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.800658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.800658 (E_RNA) where: Base-Base interactions energy: -1048.150 where: short stacking energy: -413.436 Base-Backbone interact. energy: 0.728 local terms energy: -404.379302 where: bonds (distance) C4'-P energy: -74.811 bonds (distance) P-C4' energy: -69.189 flat angles C4'-P-C4' energy: -83.505 flat angles P-C4'-P energy: -53.339 tors. eta vs tors. theta energy: -123.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1386.193758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.193758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.193758 (E_RNA) where: Base-Base interactions energy: -1015.114 where: short stacking energy: -406.057 Base-Backbone interact. energy: 0.556 local terms energy: -371.635568 where: bonds (distance) C4'-P energy: -64.664 bonds (distance) P-C4' energy: -51.592 flat angles C4'-P-C4' energy: -78.122 flat angles P-C4'-P energy: -60.294 tors. eta vs tors. theta energy: -116.964 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: 9 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1360.660952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.660952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.660952 (E_RNA) where: Base-Base interactions energy: -974.993 where: short stacking energy: -378.888 Base-Backbone interact. energy: 0.797 local terms energy: -386.464876 where: bonds (distance) C4'-P energy: -65.082 bonds (distance) P-C4' energy: -65.595 flat angles C4'-P-C4' energy: -84.102 flat angles P-C4'-P energy: -58.340 tors. eta vs tors. theta energy: -113.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1273.746436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.746436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.746436 (E_RNA) where: Base-Base interactions energy: -922.486 where: short stacking energy: -347.800 Base-Backbone interact. energy: 3.386 local terms energy: -354.646096 where: bonds (distance) C4'-P energy: -64.276 bonds (distance) P-C4' energy: -63.704 flat angles C4'-P-C4' energy: -74.609 flat angles P-C4'-P energy: -50.825 tors. eta vs tors. theta energy: -101.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -1144.769123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.769123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.769123 (E_RNA) where: Base-Base interactions energy: -834.125 where: short stacking energy: -332.414 Base-Backbone interact. energy: -0.404 local terms energy: -310.240274 where: bonds (distance) C4'-P energy: -41.625 bonds (distance) P-C4' energy: -52.158 flat angles C4'-P-C4' energy: -79.050 flat angles P-C4'-P energy: -40.080 tors. eta vs tors. theta energy: -97.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1717.130051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.130051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.130051 (E_RNA) where: Base-Base interactions energy: -1255.358 where: short stacking energy: -491.110 Base-Backbone interact. energy: -0.017 local terms energy: -461.755431 where: bonds (distance) C4'-P energy: -73.756 bonds (distance) P-C4' energy: -77.997 flat angles C4'-P-C4' energy: -90.885 flat angles P-C4'-P energy: -67.835 tors. eta vs tors. theta energy: -151.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1595.255154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.255154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.255154 (E_RNA) where: Base-Base interactions energy: -1150.951 where: short stacking energy: -452.433 Base-Backbone interact. energy: -1.674 local terms energy: -442.630603 where: bonds (distance) C4'-P energy: -69.850 bonds (distance) P-C4' energy: -74.364 flat angles C4'-P-C4' energy: -99.783 flat angles P-C4'-P energy: -61.432 tors. eta vs tors. theta energy: -137.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1578.242834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.242834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.242834 (E_RNA) where: Base-Base interactions energy: -1146.672 where: short stacking energy: -452.988 Base-Backbone interact. energy: -0.635 local terms energy: -430.935826 where: bonds (distance) C4'-P energy: -62.010 bonds (distance) P-C4' energy: -78.851 flat angles C4'-P-C4' energy: -89.344 flat angles P-C4'-P energy: -66.040 tors. eta vs tors. theta energy: -134.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1539.175312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.175312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.175312 (E_RNA) where: Base-Base interactions energy: -1117.600 where: short stacking energy: -426.455 Base-Backbone interact. energy: -0.775 local terms energy: -420.800637 where: bonds (distance) C4'-P energy: -70.293 bonds (distance) P-C4' energy: -72.541 flat angles C4'-P-C4' energy: -90.071 flat angles P-C4'-P energy: -59.650 tors. eta vs tors. theta energy: -128.245 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: 3 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1500.051595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.051595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.051595 (E_RNA) where: Base-Base interactions energy: -1109.814 where: short stacking energy: -428.365 Base-Backbone interact. energy: -1.076 local terms energy: -389.161203 where: bonds (distance) C4'-P energy: -56.136 bonds (distance) P-C4' energy: -68.174 flat angles C4'-P-C4' energy: -91.842 flat angles P-C4'-P energy: -51.415 tors. eta vs tors. theta energy: -121.594 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: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1455.822771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.822771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.822771 (E_RNA) where: Base-Base interactions energy: -1058.526 where: short stacking energy: -408.734 Base-Backbone interact. energy: -0.364 local terms energy: -396.932220 where: bonds (distance) C4'-P energy: -69.309 bonds (distance) P-C4' energy: -63.884 flat angles C4'-P-C4' energy: -78.016 flat angles P-C4'-P energy: -60.425 tors. eta vs tors. theta energy: -125.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1393.723249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.723249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.723249 (E_RNA) where: Base-Base interactions energy: -989.237 where: short stacking energy: -390.831 Base-Backbone interact. energy: 1.945 local terms energy: -406.430642 where: bonds (distance) C4'-P energy: -68.821 bonds (distance) P-C4' energy: -74.216 flat angles C4'-P-C4' energy: -88.272 flat angles P-C4'-P energy: -56.653 tors. eta vs tors. theta energy: -118.468 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: 4 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1349.879513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.879513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.879513 (E_RNA) where: Base-Base interactions energy: -985.822 where: short stacking energy: -373.583 Base-Backbone interact. energy: 0.282 local terms energy: -364.339244 where: bonds (distance) C4'-P energy: -50.114 bonds (distance) P-C4' energy: -76.650 flat angles C4'-P-C4' energy: -67.685 flat angles P-C4'-P energy: -56.505 tors. eta vs tors. theta energy: -113.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1243.286401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.286401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.286401 (E_RNA) where: Base-Base interactions energy: -903.841 where: short stacking energy: -348.833 Base-Backbone interact. energy: 5.286 local terms energy: -344.730848 where: bonds (distance) C4'-P energy: -61.810 bonds (distance) P-C4' energy: -66.704 flat angles C4'-P-C4' energy: -68.659 flat angles P-C4'-P energy: -57.602 tors. eta vs tors. theta energy: -89.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -1140.381197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.381197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.381197 (E_RNA) where: Base-Base interactions energy: -813.420 where: short stacking energy: -307.327 Base-Backbone interact. energy: -0.796 local terms energy: -326.165212 where: bonds (distance) C4'-P energy: -57.533 bonds (distance) P-C4' energy: -51.124 flat angles C4'-P-C4' energy: -74.956 flat angles P-C4'-P energy: -50.384 tors. eta vs tors. theta energy: -92.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1713.533826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.533826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.533826 (E_RNA) where: Base-Base interactions energy: -1253.972 where: short stacking energy: -496.167 Base-Backbone interact. energy: -0.333 local terms energy: -459.229114 where: bonds (distance) C4'-P energy: -75.079 bonds (distance) P-C4' energy: -67.929 flat angles C4'-P-C4' energy: -96.437 flat angles P-C4'-P energy: -68.332 tors. eta vs tors. theta energy: -151.451 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: 417 Temperature: 0.950000 Total energy: -1598.542857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.542857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.542857 (E_RNA) where: Base-Base interactions energy: -1164.896 where: short stacking energy: -458.051 Base-Backbone interact. energy: 0.421 local terms energy: -434.067559 where: bonds (distance) C4'-P energy: -74.560 bonds (distance) P-C4' energy: -69.127 flat angles C4'-P-C4' energy: -90.825 flat angles P-C4'-P energy: -65.914 tors. eta vs tors. theta energy: -133.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1583.888076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.888076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.888076 (E_RNA) where: Base-Base interactions energy: -1154.496 where: short stacking energy: -448.348 Base-Backbone interact. energy: -0.418 local terms energy: -428.974371 where: bonds (distance) C4'-P energy: -79.909 bonds (distance) P-C4' energy: -68.554 flat angles C4'-P-C4' energy: -87.416 flat angles P-C4'-P energy: -59.989 tors. eta vs tors. theta energy: -133.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1536.850586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.850586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.850586 (E_RNA) where: Base-Base interactions energy: -1139.044 where: short stacking energy: -436.199 Base-Backbone interact. energy: -2.161 local terms energy: -395.645680 where: bonds (distance) C4'-P energy: -61.104 bonds (distance) P-C4' energy: -72.124 flat angles C4'-P-C4' energy: -82.869 flat angles P-C4'-P energy: -56.570 tors. eta vs tors. theta energy: -122.979 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: 5, replica: 3 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1485.072894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.072894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.072894 (E_RNA) where: Base-Base interactions energy: -1092.193 where: short stacking energy: -419.458 Base-Backbone interact. energy: -3.446 local terms energy: -389.434016 where: bonds (distance) C4'-P energy: -58.084 bonds (distance) P-C4' energy: -71.709 flat angles C4'-P-C4' energy: -80.939 flat angles P-C4'-P energy: -54.369 tors. eta vs tors. theta energy: -124.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1471.787429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.787429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.787429 (E_RNA) where: Base-Base interactions energy: -1058.841 where: short stacking energy: -426.141 Base-Backbone interact. energy: -0.451 local terms energy: -412.495283 where: bonds (distance) C4'-P energy: -70.393 bonds (distance) P-C4' energy: -66.782 flat angles C4'-P-C4' energy: -87.811 flat angles P-C4'-P energy: -61.948 tors. eta vs tors. theta energy: -125.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1396.230208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.230208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.230208 (E_RNA) where: Base-Base interactions energy: -1016.716 where: short stacking energy: -391.950 Base-Backbone interact. energy: -0.533 local terms energy: -378.981570 where: bonds (distance) C4'-P energy: -54.672 bonds (distance) P-C4' energy: -75.370 flat angles C4'-P-C4' energy: -84.274 flat angles P-C4'-P energy: -44.730 tors. eta vs tors. theta energy: -119.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1282.108751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.108751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.108751 (E_RNA) where: Base-Base interactions energy: -919.493 where: short stacking energy: -361.836 Base-Backbone interact. energy: 2.641 local terms energy: -365.256451 where: bonds (distance) C4'-P energy: -59.927 bonds (distance) P-C4' energy: -69.222 flat angles C4'-P-C4' energy: -74.295 flat angles P-C4'-P energy: -60.359 tors. eta vs tors. theta energy: -101.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1325.952503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.952503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.952503 (E_RNA) where: Base-Base interactions energy: -955.553 where: short stacking energy: -373.980 Base-Backbone interact. energy: -0.214 local terms energy: -370.185371 where: bonds (distance) C4'-P energy: -50.356 bonds (distance) P-C4' energy: -71.755 flat angles C4'-P-C4' energy: -84.488 flat angles P-C4'-P energy: -49.538 tors. eta vs tors. theta energy: -114.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -1123.954534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.954534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.954534 (E_RNA) where: Base-Base interactions energy: -807.034 where: short stacking energy: -314.826 Base-Backbone interact. energy: -1.553 local terms energy: -315.368183 where: bonds (distance) C4'-P energy: -44.563 bonds (distance) P-C4' energy: -73.963 flat angles C4'-P-C4' energy: -78.686 flat angles P-C4'-P energy: -33.603 tors. eta vs tors. theta energy: -84.553 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: 418 Temperature: 0.900000 Total energy: -1699.994843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.994843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.994843 (E_RNA) where: Base-Base interactions energy: -1234.100 where: short stacking energy: -493.754 Base-Backbone interact. energy: -1.083 local terms energy: -464.810968 where: bonds (distance) C4'-P energy: -71.994 bonds (distance) P-C4' energy: -83.583 flat angles C4'-P-C4' energy: -88.087 flat angles P-C4'-P energy: -67.457 tors. eta vs tors. theta energy: -153.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1592.337802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.337802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.337802 (E_RNA) where: Base-Base interactions energy: -1166.168 where: short stacking energy: -451.215 Base-Backbone interact. energy: -1.019 local terms energy: -425.150728 where: bonds (distance) C4'-P energy: -72.775 bonds (distance) P-C4' energy: -69.153 flat angles C4'-P-C4' energy: -91.763 flat angles P-C4'-P energy: -59.688 tors. eta vs tors. theta energy: -131.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1578.742779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.742779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.742779 (E_RNA) where: Base-Base interactions energy: -1144.532 where: short stacking energy: -450.890 Base-Backbone interact. energy: -1.434 local terms energy: -432.777276 where: bonds (distance) C4'-P energy: -79.954 bonds (distance) P-C4' energy: -73.184 flat angles C4'-P-C4' energy: -90.020 flat angles P-C4'-P energy: -56.771 tors. eta vs tors. theta energy: -132.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1539.013872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.013872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.013872 (E_RNA) where: Base-Base interactions energy: -1131.571 where: short stacking energy: -444.439 Base-Backbone interact. energy: 3.350 local terms energy: -410.792216 where: bonds (distance) C4'-P energy: -65.782 bonds (distance) P-C4' energy: -63.189 flat angles C4'-P-C4' energy: -92.624 flat angles P-C4'-P energy: -58.563 tors. eta vs tors. theta energy: -130.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1504.628355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.628355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.628355 (E_RNA) where: Base-Base interactions energy: -1095.509 where: short stacking energy: -427.753 Base-Backbone interact. energy: -0.563 local terms energy: -408.556742 where: bonds (distance) C4'-P energy: -56.414 bonds (distance) P-C4' energy: -66.861 flat angles C4'-P-C4' energy: -90.407 flat angles P-C4'-P energy: -67.372 tors. eta vs tors. theta energy: -127.502 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: 10 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1465.144494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.144494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.144494 (E_RNA) where: Base-Base interactions energy: -1052.210 where: short stacking energy: -414.615 Base-Backbone interact. energy: 0.711 local terms energy: -413.645403 where: bonds (distance) C4'-P energy: -62.864 bonds (distance) P-C4' energy: -76.672 flat angles C4'-P-C4' energy: -85.783 flat angles P-C4'-P energy: -64.025 tors. eta vs tors. theta energy: -124.302 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: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1416.096600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.096600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.096600 (E_RNA) where: Base-Base interactions energy: -1034.659 where: short stacking energy: -403.030 Base-Backbone interact. energy: -0.348 local terms energy: -381.089303 where: bonds (distance) C4'-P energy: -45.885 bonds (distance) P-C4' energy: -79.862 flat angles C4'-P-C4' energy: -84.115 flat angles P-C4'-P energy: -52.946 tors. eta vs tors. theta energy: -118.281 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: 418 Temperature: 1.250000 Total energy: -1286.291674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.291674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.291674 (E_RNA) where: Base-Base interactions energy: -934.607 where: short stacking energy: -350.380 Base-Backbone interact. energy: 0.049 local terms energy: -351.733276 where: bonds (distance) C4'-P energy: -61.728 bonds (distance) P-C4' energy: -57.371 flat angles C4'-P-C4' energy: -70.867 flat angles P-C4'-P energy: -53.510 tors. eta vs tors. theta energy: -108.257 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: 418 Temperature: 1.300000 Total energy: -1309.261670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.261670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.261670 (E_RNA) where: Base-Base interactions energy: -956.499 where: short stacking energy: -357.775 Base-Backbone interact. energy: -2.009 local terms energy: -350.753886 where: bonds (distance) C4'-P energy: -60.753 bonds (distance) P-C4' energy: -60.748 flat angles C4'-P-C4' energy: -75.892 flat angles P-C4'-P energy: -59.102 tors. eta vs tors. theta energy: -94.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1157.567513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.567513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.567513 (E_RNA) where: Base-Base interactions energy: -842.753 where: short stacking energy: -316.372 Base-Backbone interact. energy: 2.533 local terms energy: -317.346805 where: bonds (distance) C4'-P energy: -60.210 bonds (distance) P-C4' energy: -56.610 flat angles C4'-P-C4' energy: -73.592 flat angles P-C4'-P energy: -32.988 tors. eta vs tors. theta energy: -93.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1698.967089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.967089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.967089 (E_RNA) where: Base-Base interactions energy: -1238.572 where: short stacking energy: -486.724 Base-Backbone interact. energy: -1.383 local terms energy: -459.012616 where: bonds (distance) C4'-P energy: -73.785 bonds (distance) P-C4' energy: -80.889 flat angles C4'-P-C4' energy: -86.772 flat angles P-C4'-P energy: -67.953 tors. eta vs tors. theta energy: -149.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1600.641192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.641192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.641192 (E_RNA) where: Base-Base interactions energy: -1161.922 where: short stacking energy: -444.876 Base-Backbone interact. energy: 0.002 local terms energy: -438.720445 where: bonds (distance) C4'-P energy: -68.390 bonds (distance) P-C4' energy: -85.177 flat angles C4'-P-C4' energy: -89.652 flat angles P-C4'-P energy: -59.008 tors. eta vs tors. theta energy: -136.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1571.261603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.261603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.261603 (E_RNA) where: Base-Base interactions energy: -1147.777 where: short stacking energy: -438.826 Base-Backbone interact. energy: 3.276 local terms energy: -426.760950 where: bonds (distance) C4'-P energy: -63.364 bonds (distance) P-C4' energy: -73.594 flat angles C4'-P-C4' energy: -87.348 flat angles P-C4'-P energy: -72.558 tors. eta vs tors. theta energy: -129.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1540.997938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.997938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.997938 (E_RNA) where: Base-Base interactions energy: -1106.946 where: short stacking energy: -440.831 Base-Backbone interact. energy: -0.121 local terms energy: -433.931497 where: bonds (distance) C4'-P energy: -73.653 bonds (distance) P-C4' energy: -73.138 flat angles C4'-P-C4' energy: -89.730 flat angles P-C4'-P energy: -68.135 tors. eta vs tors. theta energy: -129.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1517.806749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.806749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.806749 (E_RNA) where: Base-Base interactions energy: -1123.975 where: short stacking energy: -442.113 Base-Backbone interact. energy: -1.029 local terms energy: -392.802676 where: bonds (distance) C4'-P energy: -64.053 bonds (distance) P-C4' energy: -68.358 flat angles C4'-P-C4' energy: -82.195 flat angles P-C4'-P energy: -53.202 tors. eta vs tors. theta energy: -124.995 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: 10 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1449.692096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.692096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.692096 (E_RNA) where: Base-Base interactions energy: -1069.264 where: short stacking energy: -423.855 Base-Backbone interact. energy: -1.072 local terms energy: -379.356044 where: bonds (distance) C4'-P energy: -58.101 bonds (distance) P-C4' energy: -55.976 flat angles C4'-P-C4' energy: -82.746 flat angles P-C4'-P energy: -61.199 tors. eta vs tors. theta energy: -121.334 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: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1405.832962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.832962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.832962 (E_RNA) where: Base-Base interactions energy: -1018.917 where: short stacking energy: -393.832 Base-Backbone interact. energy: 0.462 local terms energy: -387.377964 where: bonds (distance) C4'-P energy: -57.427 bonds (distance) P-C4' energy: -70.804 flat angles C4'-P-C4' energy: -92.302 flat angles P-C4'-P energy: -50.397 tors. eta vs tors. theta energy: -116.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1318.599250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.599250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.599250 (E_RNA) where: Base-Base interactions energy: -965.671 where: short stacking energy: -363.805 Base-Backbone interact. energy: 1.661 local terms energy: -354.589441 where: bonds (distance) C4'-P energy: -69.061 bonds (distance) P-C4' energy: -58.704 flat angles C4'-P-C4' energy: -78.578 flat angles P-C4'-P energy: -50.938 tors. eta vs tors. theta energy: -97.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1312.395582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.395582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.395582 (E_RNA) where: Base-Base interactions energy: -967.193 where: short stacking energy: -361.778 Base-Backbone interact. energy: -0.849 local terms energy: -344.353528 where: bonds (distance) C4'-P energy: -55.802 bonds (distance) P-C4' energy: -49.380 flat angles C4'-P-C4' energy: -79.497 flat angles P-C4'-P energy: -50.669 tors. eta vs tors. theta energy: -109.006 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: 419 Temperature: 1.350000 Total energy: -1145.030467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.030467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.030467 (E_RNA) where: Base-Base interactions energy: -831.034 where: short stacking energy: -338.352 Base-Backbone interact. energy: -1.496 local terms energy: -312.500489 where: bonds (distance) C4'-P energy: -55.789 bonds (distance) P-C4' energy: -52.188 flat angles C4'-P-C4' energy: -72.919 flat angles P-C4'-P energy: -46.053 tors. eta vs tors. theta energy: -85.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1729.558467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.558467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.558467 (E_RNA) where: Base-Base interactions energy: -1271.229 where: short stacking energy: -500.836 Base-Backbone interact. energy: -0.178 local terms energy: -458.151699 where: bonds (distance) C4'-P energy: -76.003 bonds (distance) P-C4' energy: -79.287 flat angles C4'-P-C4' energy: -92.546 flat angles P-C4'-P energy: -60.330 tors. eta vs tors. theta energy: -149.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1586.876190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.876190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.876190 (E_RNA) where: Base-Base interactions energy: -1150.232 where: short stacking energy: -452.863 Base-Backbone interact. energy: -0.653 local terms energy: -435.990962 where: bonds (distance) C4'-P energy: -76.108 bonds (distance) P-C4' energy: -82.449 flat angles C4'-P-C4' energy: -87.335 flat angles P-C4'-P energy: -54.378 tors. eta vs tors. theta energy: -135.721 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: 2 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1576.507593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.507593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.507593 (E_RNA) where: Base-Base interactions energy: -1138.332 where: short stacking energy: -442.727 Base-Backbone interact. energy: -1.051 local terms energy: -437.124393 where: bonds (distance) C4'-P energy: -69.818 bonds (distance) P-C4' energy: -80.769 flat angles C4'-P-C4' energy: -88.010 flat angles P-C4'-P energy: -62.883 tors. eta vs tors. theta energy: -135.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1530.578325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.578325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.578325 (E_RNA) where: Base-Base interactions energy: -1112.847 where: short stacking energy: -434.596 Base-Backbone interact. energy: 3.488 local terms energy: -421.219421 where: bonds (distance) C4'-P energy: -67.591 bonds (distance) P-C4' energy: -72.383 flat angles C4'-P-C4' energy: -85.289 flat angles P-C4'-P energy: -61.923 tors. eta vs tors. theta energy: -134.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1473.933308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.933308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.933308 (E_RNA) where: Base-Base interactions energy: -1065.976 where: short stacking energy: -429.792 Base-Backbone interact. energy: -0.115 local terms energy: -407.842743 where: bonds (distance) C4'-P energy: -74.561 bonds (distance) P-C4' energy: -66.468 flat angles C4'-P-C4' energy: -78.212 flat angles P-C4'-P energy: -58.352 tors. eta vs tors. theta energy: -130.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1477.322680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.322680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.322680 (E_RNA) where: Base-Base interactions energy: -1098.409 where: short stacking energy: -416.456 Base-Backbone interact. energy: 3.483 local terms energy: -382.396486 where: bonds (distance) C4'-P energy: -56.185 bonds (distance) P-C4' energy: -72.465 flat angles C4'-P-C4' energy: -83.562 flat angles P-C4'-P energy: -46.646 tors. eta vs tors. theta energy: -123.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1417.465832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.465832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.465832 (E_RNA) where: Base-Base interactions energy: -1022.282 where: short stacking energy: -388.129 Base-Backbone interact. energy: -1.051 local terms energy: -394.132524 where: bonds (distance) C4'-P energy: -64.456 bonds (distance) P-C4' energy: -70.037 flat angles C4'-P-C4' energy: -79.717 flat angles P-C4'-P energy: -62.807 tors. eta vs tors. theta energy: -117.116 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: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1361.609960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.609960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.609960 (E_RNA) where: Base-Base interactions energy: -1000.698 where: short stacking energy: -374.364 Base-Backbone interact. energy: 1.746 local terms energy: -362.657624 where: bonds (distance) C4'-P energy: -69.481 bonds (distance) P-C4' energy: -62.787 flat angles C4'-P-C4' energy: -76.128 flat angles P-C4'-P energy: -47.366 tors. eta vs tors. theta energy: -106.895 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: 9, replica: 4 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1337.991762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.991762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.991762 (E_RNA) where: Base-Base interactions energy: -980.823 where: short stacking energy: -390.874 Base-Backbone interact. energy: 0.184 local terms energy: -357.352996 where: bonds (distance) C4'-P energy: -61.471 bonds (distance) P-C4' energy: -49.654 flat angles C4'-P-C4' energy: -74.937 flat angles P-C4'-P energy: -49.894 tors. eta vs tors. theta energy: -121.397 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: 8 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -1106.998622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.998622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.998622 (E_RNA) where: Base-Base interactions energy: -799.812 where: short stacking energy: -321.607 Base-Backbone interact. energy: -0.751 local terms energy: -306.435140 where: bonds (distance) C4'-P energy: -65.645 bonds (distance) P-C4' energy: -52.030 flat angles C4'-P-C4' energy: -64.123 flat angles P-C4'-P energy: -46.179 tors. eta vs tors. theta energy: -78.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1719.851260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.851260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.851260 (E_RNA) where: Base-Base interactions energy: -1255.460 where: short stacking energy: -496.085 Base-Backbone interact. energy: -0.248 local terms energy: -464.142948 where: bonds (distance) C4'-P energy: -72.126 bonds (distance) P-C4' energy: -78.233 flat angles C4'-P-C4' energy: -96.433 flat angles P-C4'-P energy: -65.850 tors. eta vs tors. theta energy: -151.500 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: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1578.143419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.143419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.143419 (E_RNA) where: Base-Base interactions energy: -1127.292 where: short stacking energy: -442.596 Base-Backbone interact. energy: -1.823 local terms energy: -449.028402 where: bonds (distance) C4'-P energy: -72.548 bonds (distance) P-C4' energy: -80.774 flat angles C4'-P-C4' energy: -92.811 flat angles P-C4'-P energy: -67.423 tors. eta vs tors. theta energy: -135.473 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: 2 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1586.412090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.412090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.412090 (E_RNA) where: Base-Base interactions energy: -1158.296 where: short stacking energy: -451.738 Base-Backbone interact. energy: -1.655 local terms energy: -426.460700 where: bonds (distance) C4'-P energy: -72.854 bonds (distance) P-C4' energy: -70.293 flat angles C4'-P-C4' energy: -88.794 flat angles P-C4'-P energy: -58.757 tors. eta vs tors. theta energy: -135.764 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: 10 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1513.649489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.649489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.649489 (E_RNA) where: Base-Base interactions energy: -1104.784 where: short stacking energy: -442.550 Base-Backbone interact. energy: -0.983 local terms energy: -407.882648 where: bonds (distance) C4'-P energy: -68.751 bonds (distance) P-C4' energy: -68.981 flat angles C4'-P-C4' energy: -90.285 flat angles P-C4'-P energy: -54.022 tors. eta vs tors. theta energy: -125.843 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: 1 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1536.151469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.151469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.151469 (E_RNA) where: Base-Base interactions energy: -1130.362 where: short stacking energy: -436.133 Base-Backbone interact. energy: -1.251 local terms energy: -404.538242 where: bonds (distance) C4'-P energy: -66.701 bonds (distance) P-C4' energy: -71.301 flat angles C4'-P-C4' energy: -79.907 flat angles P-C4'-P energy: -57.791 tors. eta vs tors. theta energy: -128.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1476.030354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.030354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.030354 (E_RNA) where: Base-Base interactions energy: -1093.339 where: short stacking energy: -422.372 Base-Backbone interact. energy: -0.747 local terms energy: -381.944403 where: bonds (distance) C4'-P energy: -61.997 bonds (distance) P-C4' energy: -63.399 flat angles C4'-P-C4' energy: -81.432 flat angles P-C4'-P energy: -51.826 tors. eta vs tors. theta energy: -123.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1405.454130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.454130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.454130 (E_RNA) where: Base-Base interactions energy: -1040.490 where: short stacking energy: -405.077 Base-Backbone interact. energy: -0.057 local terms energy: -364.907672 where: bonds (distance) C4'-P energy: -62.547 bonds (distance) P-C4' energy: -60.054 flat angles C4'-P-C4' energy: -77.732 flat angles P-C4'-P energy: -48.641 tors. eta vs tors. theta energy: -115.934 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: 8, replica: 4 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1359.634424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.634424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.634424 (E_RNA) where: Base-Base interactions energy: -984.508 where: short stacking energy: -376.878 Base-Backbone interact. energy: 0.548 local terms energy: -375.674721 where: bonds (distance) C4'-P energy: -63.915 bonds (distance) P-C4' energy: -69.628 flat angles C4'-P-C4' energy: -83.276 flat angles P-C4'-P energy: -52.442 tors. eta vs tors. theta energy: -106.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1287.378099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.378099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.378099 (E_RNA) where: Base-Base interactions energy: -929.668 where: short stacking energy: -362.292 Base-Backbone interact. energy: -0.902 local terms energy: -356.809029 where: bonds (distance) C4'-P energy: -63.728 bonds (distance) P-C4' energy: -67.968 flat angles C4'-P-C4' energy: -64.076 flat angles P-C4'-P energy: -58.660 tors. eta vs tors. theta energy: -102.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1098.699664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.699664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.699664 (E_RNA) where: Base-Base interactions energy: -778.190 where: short stacking energy: -312.623 Base-Backbone interact. energy: 1.415 local terms energy: -321.924454 where: bonds (distance) C4'-P energy: -55.090 bonds (distance) P-C4' energy: -62.809 flat angles C4'-P-C4' energy: -70.763 flat angles P-C4'-P energy: -52.524 tors. eta vs tors. theta energy: -80.738 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: 422 Temperature: 0.900000 Total energy: -1704.637581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.637581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.637581 (E_RNA) where: Base-Base interactions energy: -1250.982 where: short stacking energy: -490.201 Base-Backbone interact. energy: -1.323 local terms energy: -452.332151 where: bonds (distance) C4'-P energy: -62.979 bonds (distance) P-C4' energy: -78.372 flat angles C4'-P-C4' energy: -91.179 flat angles P-C4'-P energy: -70.389 tors. eta vs tors. theta energy: -149.413 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: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1584.740019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.740019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.740019 (E_RNA) where: Base-Base interactions energy: -1145.471 where: short stacking energy: -445.347 Base-Backbone interact. energy: -2.276 local terms energy: -436.993161 where: bonds (distance) C4'-P energy: -79.881 bonds (distance) P-C4' energy: -75.438 flat angles C4'-P-C4' energy: -87.326 flat angles P-C4'-P energy: -67.881 tors. eta vs tors. theta energy: -126.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1583.080954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.080954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.080954 (E_RNA) where: Base-Base interactions energy: -1160.657 where: short stacking energy: -445.641 Base-Backbone interact. energy: -0.994 local terms energy: -421.429599 where: bonds (distance) C4'-P energy: -66.140 bonds (distance) P-C4' energy: -69.324 flat angles C4'-P-C4' energy: -87.185 flat angles P-C4'-P energy: -65.993 tors. eta vs tors. theta energy: -132.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1499.793741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.793741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.793741 (E_RNA) where: Base-Base interactions energy: -1080.508 where: short stacking energy: -417.312 Base-Backbone interact. energy: -0.926 local terms energy: -418.360591 where: bonds (distance) C4'-P energy: -74.770 bonds (distance) P-C4' energy: -66.722 flat angles C4'-P-C4' energy: -88.561 flat angles P-C4'-P energy: -61.908 tors. eta vs tors. theta energy: -126.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1507.316265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.316265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.316265 (E_RNA) where: Base-Base interactions energy: -1095.586 where: short stacking energy: -430.731 Base-Backbone interact. energy: -0.323 local terms energy: -411.407416 where: bonds (distance) C4'-P energy: -54.341 bonds (distance) P-C4' energy: -74.303 flat angles C4'-P-C4' energy: -90.863 flat angles P-C4'-P energy: -65.077 tors. eta vs tors. theta energy: -126.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1477.591576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.591576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.591576 (E_RNA) where: Base-Base interactions energy: -1078.337 where: short stacking energy: -414.848 Base-Backbone interact. energy: -1.577 local terms energy: -397.677377 where: bonds (distance) C4'-P energy: -61.586 bonds (distance) P-C4' energy: -72.712 flat angles C4'-P-C4' energy: -84.879 flat angles P-C4'-P energy: -56.324 tors. eta vs tors. theta energy: -122.176 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: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1394.135701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.135701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.135701 (E_RNA) where: Base-Base interactions energy: -1020.750 where: short stacking energy: -398.430 Base-Backbone interact. energy: -0.625 local terms energy: -372.759904 where: bonds (distance) C4'-P energy: -62.204 bonds (distance) P-C4' energy: -57.331 flat angles C4'-P-C4' energy: -86.401 flat angles P-C4'-P energy: -47.713 tors. eta vs tors. theta energy: -119.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1348.892129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.892129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.892129 (E_RNA) where: Base-Base interactions energy: -959.845 where: short stacking energy: -380.473 Base-Backbone interact. energy: -0.271 local terms energy: -388.775305 where: bonds (distance) C4'-P energy: -73.260 bonds (distance) P-C4' energy: -61.664 flat angles C4'-P-C4' energy: -77.326 flat angles P-C4'-P energy: -59.632 tors. eta vs tors. theta energy: -116.893 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: 422 Temperature: 1.300000 Total energy: -1356.166052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.166052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.166052 (E_RNA) where: Base-Base interactions energy: -1004.005 where: short stacking energy: -383.208 Base-Backbone interact. energy: -0.568 local terms energy: -351.593163 where: bonds (distance) C4'-P energy: -58.480 bonds (distance) P-C4' energy: -53.303 flat angles C4'-P-C4' energy: -82.108 flat angles P-C4'-P energy: -56.401 tors. eta vs tors. theta energy: -101.300 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: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -1132.474025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.474025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.474025 (E_RNA) where: Base-Base interactions energy: -813.611 where: short stacking energy: -322.075 Base-Backbone interact. energy: -1.214 local terms energy: -317.648162 where: bonds (distance) C4'-P energy: -55.651 bonds (distance) P-C4' energy: -60.677 flat angles C4'-P-C4' energy: -66.807 flat angles P-C4'-P energy: -50.247 tors. eta vs tors. theta energy: -84.266 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: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1714.501437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.501437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.501437 (E_RNA) where: Base-Base interactions energy: -1255.427 where: short stacking energy: -485.497 Base-Backbone interact. energy: -0.153 local terms energy: -458.921155 where: bonds (distance) C4'-P energy: -72.254 bonds (distance) P-C4' energy: -74.812 flat angles C4'-P-C4' energy: -92.159 flat angles P-C4'-P energy: -70.114 tors. eta vs tors. theta energy: -149.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1589.255076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.255076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.255076 (E_RNA) where: Base-Base interactions energy: -1159.135 where: short stacking energy: -444.098 Base-Backbone interact. energy: 0.616 local terms energy: -430.735335 where: bonds (distance) C4'-P energy: -75.492 bonds (distance) P-C4' energy: -75.394 flat angles C4'-P-C4' energy: -87.802 flat angles P-C4'-P energy: -55.003 tors. eta vs tors. theta energy: -137.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1574.098670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.098670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.098670 (E_RNA) where: Base-Base interactions energy: -1134.408 where: short stacking energy: -438.690 Base-Backbone interact. energy: -0.211 local terms energy: -439.478925 where: bonds (distance) C4'-P energy: -76.491 bonds (distance) P-C4' energy: -74.080 flat angles C4'-P-C4' energy: -90.652 flat angles P-C4'-P energy: -60.895 tors. eta vs tors. theta energy: -137.361 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: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1534.662204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.662204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.662204 (E_RNA) where: Base-Base interactions energy: -1127.960 where: short stacking energy: -440.739 Base-Backbone interact. energy: -0.351 local terms energy: -406.351688 where: bonds (distance) C4'-P energy: -63.100 bonds (distance) P-C4' energy: -66.958 flat angles C4'-P-C4' energy: -81.740 flat angles P-C4'-P energy: -59.143 tors. eta vs tors. theta energy: -135.411 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: 10 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1509.719298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.719298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.719298 (E_RNA) where: Base-Base interactions energy: -1095.621 where: short stacking energy: -448.918 Base-Backbone interact. energy: -0.075 local terms energy: -414.023505 where: bonds (distance) C4'-P energy: -65.181 bonds (distance) P-C4' energy: -67.527 flat angles C4'-P-C4' energy: -82.289 flat angles P-C4'-P energy: -61.085 tors. eta vs tors. theta energy: -137.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1460.988191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.988191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.988191 (E_RNA) where: Base-Base interactions energy: -1078.424 where: short stacking energy: -412.968 Base-Backbone interact. energy: -0.505 local terms energy: -382.059284 where: bonds (distance) C4'-P energy: -64.864 bonds (distance) P-C4' energy: -62.893 flat angles C4'-P-C4' energy: -81.716 flat angles P-C4'-P energy: -51.322 tors. eta vs tors. theta energy: -121.264 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: 423 Temperature: 1.200000 Total energy: -1420.370360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.370360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.370360 (E_RNA) where: Base-Base interactions energy: -1040.921 where: short stacking energy: -409.305 Base-Backbone interact. energy: -0.240 local terms energy: -379.209440 where: bonds (distance) C4'-P energy: -63.395 bonds (distance) P-C4' energy: -57.045 flat angles C4'-P-C4' energy: -83.862 flat angles P-C4'-P energy: -49.515 tors. eta vs tors. theta energy: -125.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1352.953621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.953621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.953621 (E_RNA) where: Base-Base interactions energy: -987.164 where: short stacking energy: -373.755 Base-Backbone interact. energy: -1.724 local terms energy: -364.065647 where: bonds (distance) C4'-P energy: -67.173 bonds (distance) P-C4' energy: -58.992 flat angles C4'-P-C4' energy: -71.497 flat angles P-C4'-P energy: -55.502 tors. eta vs tors. theta energy: -110.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1349.457904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.457904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.457904 (E_RNA) where: Base-Base interactions energy: -1003.760 where: short stacking energy: -372.181 Base-Backbone interact. energy: -1.340 local terms energy: -344.358070 where: bonds (distance) C4'-P energy: -61.296 bonds (distance) P-C4' energy: -39.953 flat angles C4'-P-C4' energy: -83.110 flat angles P-C4'-P energy: -42.451 tors. eta vs tors. theta energy: -117.548 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: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -1170.932397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.932397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.932397 (E_RNA) where: Base-Base interactions energy: -831.873 where: short stacking energy: -337.235 Base-Backbone interact. energy: -1.037 local terms energy: -338.022425 where: bonds (distance) C4'-P energy: -56.848 bonds (distance) P-C4' energy: -64.730 flat angles C4'-P-C4' energy: -81.707 flat angles P-C4'-P energy: -43.778 tors. eta vs tors. theta energy: -90.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1712.055618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.055618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.055618 (E_RNA) where: Base-Base interactions energy: -1249.019 where: short stacking energy: -487.579 Base-Backbone interact. energy: 0.422 local terms energy: -463.457931 where: bonds (distance) C4'-P energy: -77.108 bonds (distance) P-C4' energy: -69.307 flat angles C4'-P-C4' energy: -95.112 flat angles P-C4'-P energy: -71.003 tors. eta vs tors. theta energy: -150.929 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: 6 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1613.110933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.110933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.110933 (E_RNA) where: Base-Base interactions energy: -1168.359 where: short stacking energy: -457.785 Base-Backbone interact. energy: -0.472 local terms energy: -444.280390 where: bonds (distance) C4'-P energy: -74.189 bonds (distance) P-C4' energy: -77.963 flat angles C4'-P-C4' energy: -93.808 flat angles P-C4'-P energy: -59.858 tors. eta vs tors. theta energy: -138.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1560.011648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.011648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.011648 (E_RNA) where: Base-Base interactions energy: -1115.751 where: short stacking energy: -432.223 Base-Backbone interact. energy: -1.149 local terms energy: -443.112329 where: bonds (distance) C4'-P energy: -72.164 bonds (distance) P-C4' energy: -74.820 flat angles C4'-P-C4' energy: -91.924 flat angles P-C4'-P energy: -67.249 tors. eta vs tors. theta energy: -136.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1536.896696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.896696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.896696 (E_RNA) where: Base-Base interactions energy: -1110.438 where: short stacking energy: -443.260 Base-Backbone interact. energy: -0.918 local terms energy: -425.540603 where: bonds (distance) C4'-P energy: -73.789 bonds (distance) P-C4' energy: -72.426 flat angles C4'-P-C4' energy: -84.439 flat angles P-C4'-P energy: -57.615 tors. eta vs tors. theta energy: -137.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1479.942898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.942898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.942898 (E_RNA) where: Base-Base interactions energy: -1090.516 where: short stacking energy: -432.831 Base-Backbone interact. energy: -0.416 local terms energy: -389.010046 where: bonds (distance) C4'-P energy: -62.607 bonds (distance) P-C4' energy: -61.276 flat angles C4'-P-C4' energy: -82.351 flat angles P-C4'-P energy: -54.840 tors. eta vs tors. theta energy: -127.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1496.737549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.737549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.737549 (E_RNA) where: Base-Base interactions energy: -1096.447 where: short stacking energy: -422.749 Base-Backbone interact. energy: -2.003 local terms energy: -398.288197 where: bonds (distance) C4'-P energy: -68.112 bonds (distance) P-C4' energy: -63.458 flat angles C4'-P-C4' energy: -88.255 flat angles P-C4'-P energy: -51.938 tors. eta vs tors. theta energy: -126.525 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: 7, replica: 4 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1351.032669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.032669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.032669 (E_RNA) where: Base-Base interactions energy: -982.703 where: short stacking energy: -378.351 Base-Backbone interact. energy: 2.543 local terms energy: -370.872672 where: bonds (distance) C4'-P energy: -57.524 bonds (distance) P-C4' energy: -78.670 flat angles C4'-P-C4' energy: -76.218 flat angles P-C4'-P energy: -49.940 tors. eta vs tors. theta energy: -108.521 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: 9 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1385.810716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.810716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.810716 (E_RNA) where: Base-Base interactions energy: -998.958 where: short stacking energy: -384.210 Base-Backbone interact. energy: -1.412 local terms energy: -385.440576 where: bonds (distance) C4'-P energy: -63.159 bonds (distance) P-C4' energy: -69.961 flat angles C4'-P-C4' energy: -78.453 flat angles P-C4'-P energy: -55.106 tors. eta vs tors. theta energy: -118.762 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: 424 Temperature: 1.300000 Total energy: -1380.638272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.638272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.638272 (E_RNA) where: Base-Base interactions energy: -1026.702 where: short stacking energy: -383.597 Base-Backbone interact. energy: -2.178 local terms energy: -351.758730 where: bonds (distance) C4'-P energy: -49.782 bonds (distance) P-C4' energy: -59.644 flat angles C4'-P-C4' energy: -67.551 flat angles P-C4'-P energy: -50.745 tors. eta vs tors. theta energy: -124.037 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: 8 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -1163.709229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.709229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.709229 (E_RNA) where: Base-Base interactions energy: -829.751 where: short stacking energy: -331.708 Base-Backbone interact. energy: -0.481 local terms energy: -333.476868 where: bonds (distance) C4'-P energy: -54.059 bonds (distance) P-C4' energy: -58.446 flat angles C4'-P-C4' energy: -78.422 flat angles P-C4'-P energy: -45.932 tors. eta vs tors. theta energy: -96.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1691.747607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.747607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.747607 (E_RNA) where: Base-Base interactions energy: -1248.137 where: short stacking energy: -481.667 Base-Backbone interact. energy: -0.498 local terms energy: -443.112688 where: bonds (distance) C4'-P energy: -74.274 bonds (distance) P-C4' energy: -58.336 flat angles C4'-P-C4' energy: -91.361 flat angles P-C4'-P energy: -69.941 tors. eta vs tors. theta energy: -149.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1598.203542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.203542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.203542 (E_RNA) where: Base-Base interactions energy: -1152.793 where: short stacking energy: -458.686 Base-Backbone interact. energy: -0.711 local terms energy: -444.699646 where: bonds (distance) C4'-P energy: -79.451 bonds (distance) P-C4' energy: -71.475 flat angles C4'-P-C4' energy: -90.776 flat angles P-C4'-P energy: -63.719 tors. eta vs tors. theta energy: -139.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1578.207017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.207017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.207017 (E_RNA) where: Base-Base interactions energy: -1147.770 where: short stacking energy: -442.856 Base-Backbone interact. energy: 0.035 local terms energy: -430.471929 where: bonds (distance) C4'-P energy: -74.425 bonds (distance) P-C4' energy: -73.418 flat angles C4'-P-C4' energy: -87.272 flat angles P-C4'-P energy: -63.565 tors. eta vs tors. theta energy: -131.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1531.674274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.674274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.674274 (E_RNA) where: Base-Base interactions energy: -1120.004 where: short stacking energy: -440.595 Base-Backbone interact. energy: -0.514 local terms energy: -411.156616 where: bonds (distance) C4'-P energy: -73.408 bonds (distance) P-C4' energy: -65.796 flat angles C4'-P-C4' energy: -93.004 flat angles P-C4'-P energy: -50.949 tors. eta vs tors. theta energy: -128.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1513.284174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.284174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.284174 (E_RNA) where: Base-Base interactions energy: -1098.912 where: short stacking energy: -418.715 Base-Backbone interact. energy: -0.562 local terms energy: -413.809633 where: bonds (distance) C4'-P energy: -70.243 bonds (distance) P-C4' energy: -75.712 flat angles C4'-P-C4' energy: -87.873 flat angles P-C4'-P energy: -53.182 tors. eta vs tors. theta energy: -126.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1493.129828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.129828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.129828 (E_RNA) where: Base-Base interactions energy: -1090.064 where: short stacking energy: -430.744 Base-Backbone interact. energy: -1.032 local terms energy: -402.034293 where: bonds (distance) C4'-P energy: -70.412 bonds (distance) P-C4' energy: -59.848 flat angles C4'-P-C4' energy: -88.020 flat angles P-C4'-P energy: -58.956 tors. eta vs tors. theta energy: -124.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1353.138858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.138858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.138858 (E_RNA) where: Base-Base interactions energy: -992.865 where: short stacking energy: -386.705 Base-Backbone interact. energy: -0.220 local terms energy: -360.053438 where: bonds (distance) C4'-P energy: -62.034 bonds (distance) P-C4' energy: -52.819 flat angles C4'-P-C4' energy: -72.292 flat angles P-C4'-P energy: -55.768 tors. eta vs tors. theta energy: -117.141 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: 8, replica: 7 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1372.046503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.046503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.046503 (E_RNA) where: Base-Base interactions energy: -1007.099 where: short stacking energy: -380.128 Base-Backbone interact. energy: 0.790 local terms energy: -365.737198 where: bonds (distance) C4'-P energy: -67.423 bonds (distance) P-C4' energy: -63.450 flat angles C4'-P-C4' energy: -73.269 flat angles P-C4'-P energy: -51.597 tors. eta vs tors. theta energy: -109.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1339.786332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.786332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.786332 (E_RNA) where: Base-Base interactions energy: -998.261 where: short stacking energy: -394.996 Base-Backbone interact. energy: -0.444 local terms energy: -341.081596 where: bonds (distance) C4'-P energy: -57.164 bonds (distance) P-C4' energy: -37.737 flat angles C4'-P-C4' energy: -78.327 flat angles P-C4'-P energy: -53.034 tors. eta vs tors. theta energy: -114.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1167.282018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.282018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.282018 (E_RNA) where: Base-Base interactions energy: -837.199 where: short stacking energy: -323.267 Base-Backbone interact. energy: -0.189 local terms energy: -329.893967 where: bonds (distance) C4'-P energy: -60.217 bonds (distance) P-C4' energy: -58.834 flat angles C4'-P-C4' energy: -70.667 flat angles P-C4'-P energy: -41.736 tors. eta vs tors. theta energy: -98.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1713.510596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.510596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.510596 (E_RNA) where: Base-Base interactions energy: -1245.762 where: short stacking energy: -493.468 Base-Backbone interact. energy: 0.878 local terms energy: -468.627078 where: bonds (distance) C4'-P energy: -82.892 bonds (distance) P-C4' energy: -70.383 flat angles C4'-P-C4' energy: -92.326 flat angles P-C4'-P energy: -72.834 tors. eta vs tors. theta energy: -150.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1597.471798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.471798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.471798 (E_RNA) where: Base-Base interactions energy: -1160.370 where: short stacking energy: -451.427 Base-Backbone interact. energy: -0.924 local terms energy: -436.177744 where: bonds (distance) C4'-P energy: -77.881 bonds (distance) P-C4' energy: -70.042 flat angles C4'-P-C4' energy: -90.362 flat angles P-C4'-P energy: -66.679 tors. eta vs tors. theta energy: -131.214 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: 6 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1573.395355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.395355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.395355 (E_RNA) where: Base-Base interactions energy: -1148.371 where: short stacking energy: -440.439 Base-Backbone interact. energy: -0.719 local terms energy: -424.306042 where: bonds (distance) C4'-P energy: -75.003 bonds (distance) P-C4' energy: -67.835 flat angles C4'-P-C4' energy: -90.775 flat angles P-C4'-P energy: -58.659 tors. eta vs tors. theta energy: -132.033 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: 426 Temperature: 1.050000 Total energy: -1512.737954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.737954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.737954 (E_RNA) where: Base-Base interactions energy: -1087.109 where: short stacking energy: -432.167 Base-Backbone interact. energy: -1.166 local terms energy: -424.463038 where: bonds (distance) C4'-P energy: -68.499 bonds (distance) P-C4' energy: -80.849 flat angles C4'-P-C4' energy: -85.571 flat angles P-C4'-P energy: -59.329 tors. eta vs tors. theta energy: -130.215 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: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1514.147499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.147499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.147499 (E_RNA) where: Base-Base interactions energy: -1112.363 where: short stacking energy: -425.484 Base-Backbone interact. energy: -0.500 local terms energy: -401.283914 where: bonds (distance) C4'-P energy: -53.974 bonds (distance) P-C4' energy: -71.803 flat angles C4'-P-C4' energy: -84.610 flat angles P-C4'-P energy: -57.764 tors. eta vs tors. theta energy: -133.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1491.122909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.122909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.122909 (E_RNA) where: Base-Base interactions energy: -1102.556 where: short stacking energy: -430.437 Base-Backbone interact. energy: 0.182 local terms energy: -388.749187 where: bonds (distance) C4'-P energy: -66.667 bonds (distance) P-C4' energy: -53.556 flat angles C4'-P-C4' energy: -80.117 flat angles P-C4'-P energy: -58.447 tors. eta vs tors. theta energy: -129.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1426.009296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.009296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.009296 (E_RNA) where: Base-Base interactions energy: -1049.160 where: short stacking energy: -402.010 Base-Backbone interact. energy: 0.058 local terms energy: -376.907049 where: bonds (distance) C4'-P energy: -61.918 bonds (distance) P-C4' energy: -69.152 flat angles C4'-P-C4' energy: -79.722 flat angles P-C4'-P energy: -45.900 tors. eta vs tors. theta energy: -120.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1333.025829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.025829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.025829 (E_RNA) where: Base-Base interactions energy: -979.296 where: short stacking energy: -376.419 Base-Backbone interact. energy: -0.894 local terms energy: -352.836089 where: bonds (distance) C4'-P energy: -59.328 bonds (distance) P-C4' energy: -61.621 flat angles C4'-P-C4' energy: -75.885 flat angles P-C4'-P energy: -44.457 tors. eta vs tors. theta energy: -111.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1368.440354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.440354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.440354 (E_RNA) where: Base-Base interactions energy: -994.911 where: short stacking energy: -400.702 Base-Backbone interact. energy: -1.548 local terms energy: -371.981399 where: bonds (distance) C4'-P energy: -63.418 bonds (distance) P-C4' energy: -66.018 flat angles C4'-P-C4' energy: -74.295 flat angles P-C4'-P energy: -52.188 tors. eta vs tors. theta energy: -116.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -1158.842563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.842563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.842563 (E_RNA) where: Base-Base interactions energy: -812.212 where: short stacking energy: -312.298 Base-Backbone interact. energy: -0.924 local terms energy: -345.706647 where: bonds (distance) C4'-P energy: -60.944 bonds (distance) P-C4' energy: -72.996 flat angles C4'-P-C4' energy: -71.252 flat angles P-C4'-P energy: -49.133 tors. eta vs tors. theta energy: -91.382 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: 1, replica: 5 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1707.341371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.341371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.341371 (E_RNA) where: Base-Base interactions energy: -1238.391 where: short stacking energy: -483.081 Base-Backbone interact. energy: -0.049 local terms energy: -468.901618 where: bonds (distance) C4'-P energy: -81.813 bonds (distance) P-C4' energy: -84.674 flat angles C4'-P-C4' energy: -83.464 flat angles P-C4'-P energy: -73.121 tors. eta vs tors. theta energy: -145.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1595.270282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.270282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.270282 (E_RNA) where: Base-Base interactions energy: -1168.477 where: short stacking energy: -459.433 Base-Backbone interact. energy: 0.121 local terms energy: -426.914499 where: bonds (distance) C4'-P energy: -71.229 bonds (distance) P-C4' energy: -65.423 flat angles C4'-P-C4' energy: -88.425 flat angles P-C4'-P energy: -68.546 tors. eta vs tors. theta energy: -133.292 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: 6 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1565.553164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.553164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.553164 (E_RNA) where: Base-Base interactions energy: -1157.487 where: short stacking energy: -443.105 Base-Backbone interact. energy: -0.558 local terms energy: -407.507512 where: bonds (distance) C4'-P energy: -64.732 bonds (distance) P-C4' energy: -66.762 flat angles C4'-P-C4' energy: -86.957 flat angles P-C4'-P energy: -57.350 tors. eta vs tors. theta energy: -131.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1541.280280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.280280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.280280 (E_RNA) where: Base-Base interactions energy: -1136.084 where: short stacking energy: -423.172 Base-Backbone interact. energy: -0.028 local terms energy: -405.168464 where: bonds (distance) C4'-P energy: -48.717 bonds (distance) P-C4' energy: -74.444 flat angles C4'-P-C4' energy: -90.509 flat angles P-C4'-P energy: -64.195 tors. eta vs tors. theta energy: -127.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1483.368836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.368836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.368836 (E_RNA) where: Base-Base interactions energy: -1069.456 where: short stacking energy: -416.499 Base-Backbone interact. energy: 0.159 local terms energy: -414.071764 where: bonds (distance) C4'-P energy: -64.470 bonds (distance) P-C4' energy: -74.455 flat angles C4'-P-C4' energy: -86.981 flat angles P-C4'-P energy: -65.472 tors. eta vs tors. theta energy: -122.695 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: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1493.841458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.841458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.841458 (E_RNA) where: Base-Base interactions energy: -1098.491 where: short stacking energy: -429.166 Base-Backbone interact. energy: -0.444 local terms energy: -394.907189 where: bonds (distance) C4'-P energy: -53.531 bonds (distance) P-C4' energy: -71.634 flat angles C4'-P-C4' energy: -81.001 flat angles P-C4'-P energy: -60.905 tors. eta vs tors. theta energy: -127.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1449.602649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.602649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.602649 (E_RNA) where: Base-Base interactions energy: -1062.161 where: short stacking energy: -403.730 Base-Backbone interact. energy: -0.604 local terms energy: -386.837024 where: bonds (distance) C4'-P energy: -66.789 bonds (distance) P-C4' energy: -68.946 flat angles C4'-P-C4' energy: -85.323 flat angles P-C4'-P energy: -44.428 tors. eta vs tors. theta energy: -121.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1372.627602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.627602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.627602 (E_RNA) where: Base-Base interactions energy: -1003.683 where: short stacking energy: -389.764 Base-Backbone interact. energy: 1.809 local terms energy: -370.753480 where: bonds (distance) C4'-P energy: -57.340 bonds (distance) P-C4' energy: -67.700 flat angles C4'-P-C4' energy: -77.023 flat angles P-C4'-P energy: -46.390 tors. eta vs tors. theta energy: -122.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1291.863339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.863339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.863339 (E_RNA) where: Base-Base interactions energy: -951.024 where: short stacking energy: -364.289 Base-Backbone interact. energy: 1.531 local terms energy: -342.369908 where: bonds (distance) C4'-P energy: -58.835 bonds (distance) P-C4' energy: -46.524 flat angles C4'-P-C4' energy: -85.369 flat angles P-C4'-P energy: -47.849 tors. eta vs tors. theta energy: -103.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -1165.322949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.322949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.322949 (E_RNA) where: Base-Base interactions energy: -850.018 where: short stacking energy: -338.633 Base-Backbone interact. energy: -0.460 local terms energy: -314.845176 where: bonds (distance) C4'-P energy: -60.025 bonds (distance) P-C4' energy: -49.913 flat angles C4'-P-C4' energy: -66.927 flat angles P-C4'-P energy: -40.798 tors. eta vs tors. theta energy: -97.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1696.298285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.298285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.298285 (E_RNA) where: Base-Base interactions energy: -1232.019 where: short stacking energy: -480.657 Base-Backbone interact. energy: -0.163 local terms energy: -464.115640 where: bonds (distance) C4'-P energy: -77.859 bonds (distance) P-C4' energy: -72.185 flat angles C4'-P-C4' energy: -94.123 flat angles P-C4'-P energy: -72.103 tors. eta vs tors. theta energy: -147.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1599.801422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.801422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.801422 (E_RNA) where: Base-Base interactions energy: -1166.179 where: short stacking energy: -460.703 Base-Backbone interact. energy: -0.031 local terms energy: -433.590714 where: bonds (distance) C4'-P energy: -77.350 bonds (distance) P-C4' energy: -73.452 flat angles C4'-P-C4' energy: -86.573 flat angles P-C4'-P energy: -60.234 tors. eta vs tors. theta energy: -135.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1550.964877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.964877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.964877 (E_RNA) where: Base-Base interactions energy: -1123.450 where: short stacking energy: -437.974 Base-Backbone interact. energy: -0.562 local terms energy: -426.952728 where: bonds (distance) C4'-P energy: -65.621 bonds (distance) P-C4' energy: -83.500 flat angles C4'-P-C4' energy: -88.329 flat angles P-C4'-P energy: -58.450 tors. eta vs tors. theta energy: -131.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1562.028165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.028165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.028165 (E_RNA) where: Base-Base interactions energy: -1141.934 where: short stacking energy: -444.311 Base-Backbone interact. energy: -2.498 local terms energy: -417.596319 where: bonds (distance) C4'-P energy: -65.002 bonds (distance) P-C4' energy: -78.963 flat angles C4'-P-C4' energy: -86.070 flat angles P-C4'-P energy: -52.545 tors. eta vs tors. theta energy: -135.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1517.310683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.310683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.310683 (E_RNA) where: Base-Base interactions energy: -1114.866 where: short stacking energy: -432.417 Base-Backbone interact. energy: 0.081 local terms energy: -402.525710 where: bonds (distance) C4'-P energy: -72.749 bonds (distance) P-C4' energy: -69.539 flat angles C4'-P-C4' energy: -73.281 flat angles P-C4'-P energy: -56.677 tors. eta vs tors. theta energy: -130.279 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: 6, replica: 10 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1455.503033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.503033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.503033 (E_RNA) where: Base-Base interactions energy: -1063.100 where: short stacking energy: -411.866 Base-Backbone interact. energy: 0.181 local terms energy: -392.583561 where: bonds (distance) C4'-P energy: -65.941 bonds (distance) P-C4' energy: -63.734 flat angles C4'-P-C4' energy: -78.247 flat angles P-C4'-P energy: -58.018 tors. eta vs tors. theta energy: -126.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1428.282764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.282764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.282764 (E_RNA) where: Base-Base interactions energy: -1056.215 where: short stacking energy: -402.611 Base-Backbone interact. energy: -0.362 local terms energy: -371.705934 where: bonds (distance) C4'-P energy: -59.885 bonds (distance) P-C4' energy: -70.961 flat angles C4'-P-C4' energy: -80.681 flat angles P-C4'-P energy: -43.754 tors. eta vs tors. theta energy: -116.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1372.505923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.505923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.505923 (E_RNA) where: Base-Base interactions energy: -984.196 where: short stacking energy: -374.194 Base-Backbone interact. energy: 0.962 local terms energy: -389.272712 where: bonds (distance) C4'-P energy: -59.834 bonds (distance) P-C4' energy: -69.248 flat angles C4'-P-C4' energy: -85.057 flat angles P-C4'-P energy: -55.104 tors. eta vs tors. theta energy: -120.030 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: 428 Temperature: 1.300000 Total energy: -1309.917221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.917221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.917221 (E_RNA) where: Base-Base interactions energy: -931.820 where: short stacking energy: -365.385 Base-Backbone interact. energy: 0.276 local terms energy: -378.372954 where: bonds (distance) C4'-P energy: -76.910 bonds (distance) P-C4' energy: -71.831 flat angles C4'-P-C4' energy: -76.285 flat angles P-C4'-P energy: -49.483 tors. eta vs tors. theta energy: -103.863 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: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1160.199892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.199892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.199892 (E_RNA) where: Base-Base interactions energy: -839.554 where: short stacking energy: -333.659 Base-Backbone interact. energy: 4.050 local terms energy: -324.695506 where: bonds (distance) C4'-P energy: -62.702 bonds (distance) P-C4' energy: -78.911 flat angles C4'-P-C4' energy: -68.664 flat angles P-C4'-P energy: -25.183 tors. eta vs tors. theta energy: -89.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1700.522051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.522051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.522051 (E_RNA) where: Base-Base interactions energy: -1242.901 where: short stacking energy: -491.315 Base-Backbone interact. energy: -0.281 local terms energy: -457.340222 where: bonds (distance) C4'-P energy: -81.770 bonds (distance) P-C4' energy: -68.281 flat angles C4'-P-C4' energy: -92.911 flat angles P-C4'-P energy: -70.826 tors. eta vs tors. theta energy: -143.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1594.269167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.269167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.269167 (E_RNA) where: Base-Base interactions energy: -1161.669 where: short stacking energy: -444.850 Base-Backbone interact. energy: 1.087 local terms energy: -433.686549 where: bonds (distance) C4'-P energy: -75.978 bonds (distance) P-C4' energy: -70.248 flat angles C4'-P-C4' energy: -92.489 flat angles P-C4'-P energy: -61.677 tors. eta vs tors. theta energy: -133.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1584.830072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.830072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.830072 (E_RNA) where: Base-Base interactions energy: -1167.516 where: short stacking energy: -452.282 Base-Backbone interact. energy: -0.954 local terms energy: -416.360006 where: bonds (distance) C4'-P energy: -73.174 bonds (distance) P-C4' energy: -78.182 flat angles C4'-P-C4' energy: -81.577 flat angles P-C4'-P energy: -47.863 tors. eta vs tors. theta energy: -135.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1545.703380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.703380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.703380 (E_RNA) where: Base-Base interactions energy: -1133.767 where: short stacking energy: -428.470 Base-Backbone interact. energy: -2.191 local terms energy: -409.746143 where: bonds (distance) C4'-P energy: -63.683 bonds (distance) P-C4' energy: -71.410 flat angles C4'-P-C4' energy: -89.710 flat angles P-C4'-P energy: -56.027 tors. eta vs tors. theta energy: -128.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1494.302800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.302800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.302800 (E_RNA) where: Base-Base interactions energy: -1072.918 where: short stacking energy: -417.990 Base-Backbone interact. energy: 0.321 local terms energy: -421.705886 where: bonds (distance) C4'-P energy: -73.201 bonds (distance) P-C4' energy: -79.526 flat angles C4'-P-C4' energy: -82.071 flat angles P-C4'-P energy: -58.897 tors. eta vs tors. theta energy: -128.011 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: 6, replica: 10 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1469.289839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.289839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.289839 (E_RNA) where: Base-Base interactions energy: -1062.725 where: short stacking energy: -409.055 Base-Backbone interact. energy: -0.372 local terms energy: -406.192865 where: bonds (distance) C4'-P energy: -76.934 bonds (distance) P-C4' energy: -62.736 flat angles C4'-P-C4' energy: -88.257 flat angles P-C4'-P energy: -52.249 tors. eta vs tors. theta energy: -126.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1419.329724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.329724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.329724 (E_RNA) where: Base-Base interactions energy: -1045.655 where: short stacking energy: -381.988 Base-Backbone interact. energy: 0.917 local terms energy: -374.591430 where: bonds (distance) C4'-P energy: -59.638 bonds (distance) P-C4' energy: -66.280 flat angles C4'-P-C4' energy: -81.647 flat angles P-C4'-P energy: -46.840 tors. eta vs tors. theta energy: -120.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1341.086325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.086325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.086325 (E_RNA) where: Base-Base interactions energy: -958.867 where: short stacking energy: -386.061 Base-Backbone interact. energy: 1.233 local terms energy: -383.452852 where: bonds (distance) C4'-P energy: -59.505 bonds (distance) P-C4' energy: -70.210 flat angles C4'-P-C4' energy: -85.273 flat angles P-C4'-P energy: -52.732 tors. eta vs tors. theta energy: -115.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1250.019235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.019235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.019235 (E_RNA) where: Base-Base interactions energy: -912.753 where: short stacking energy: -356.829 Base-Backbone interact. energy: -0.895 local terms energy: -336.370849 where: bonds (distance) C4'-P energy: -50.948 bonds (distance) P-C4' energy: -64.332 flat angles C4'-P-C4' energy: -66.231 flat angles P-C4'-P energy: -48.299 tors. eta vs tors. theta energy: -106.561 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: 8 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -1128.496895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.496895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.496895 (E_RNA) where: Base-Base interactions energy: -826.714 where: short stacking energy: -326.241 Base-Backbone interact. energy: -2.328 local terms energy: -299.454957 where: bonds (distance) C4'-P energy: -44.470 bonds (distance) P-C4' energy: -65.215 flat angles C4'-P-C4' energy: -69.954 flat angles P-C4'-P energy: -40.223 tors. eta vs tors. theta energy: -79.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1719.549432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.549432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.549432 (E_RNA) where: Base-Base interactions energy: -1241.395 where: short stacking energy: -487.440 Base-Backbone interact. energy: -0.715 local terms energy: -477.439904 where: bonds (distance) C4'-P energy: -78.266 bonds (distance) P-C4' energy: -86.012 flat angles C4'-P-C4' energy: -97.513 flat angles P-C4'-P energy: -68.316 tors. eta vs tors. theta energy: -147.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1609.049249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.049249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.049249 (E_RNA) where: Base-Base interactions energy: -1178.294 where: short stacking energy: -461.478 Base-Backbone interact. energy: -0.532 local terms energy: -430.223630 where: bonds (distance) C4'-P energy: -77.817 bonds (distance) P-C4' energy: -69.554 flat angles C4'-P-C4' energy: -92.434 flat angles P-C4'-P energy: -56.083 tors. eta vs tors. theta energy: -134.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1577.603063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.603063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.603063 (E_RNA) where: Base-Base interactions energy: -1134.719 where: short stacking energy: -441.287 Base-Backbone interact. energy: -0.665 local terms energy: -442.219727 where: bonds (distance) C4'-P energy: -71.766 bonds (distance) P-C4' energy: -78.497 flat angles C4'-P-C4' energy: -92.942 flat angles P-C4'-P energy: -66.851 tors. eta vs tors. theta energy: -132.164 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: 4, replica: 6 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1547.680274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.680274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.680274 (E_RNA) where: Base-Base interactions energy: -1138.417 where: short stacking energy: -431.803 Base-Backbone interact. energy: 1.687 local terms energy: -410.950656 where: bonds (distance) C4'-P energy: -72.956 bonds (distance) P-C4' energy: -66.361 flat angles C4'-P-C4' energy: -87.355 flat angles P-C4'-P energy: -57.869 tors. eta vs tors. theta energy: -126.409 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: 1 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1520.876065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.876065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.876065 (E_RNA) where: Base-Base interactions energy: -1131.332 where: short stacking energy: -441.595 Base-Backbone interact. energy: -0.257 local terms energy: -389.286977 where: bonds (distance) C4'-P energy: -74.546 bonds (distance) P-C4' energy: -53.996 flat angles C4'-P-C4' energy: -85.814 flat angles P-C4'-P energy: -46.888 tors. eta vs tors. theta energy: -128.043 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: 10 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1452.518125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.518125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.518125 (E_RNA) where: Base-Base interactions energy: -1057.300 where: short stacking energy: -415.993 Base-Backbone interact. energy: -0.958 local terms energy: -394.260750 where: bonds (distance) C4'-P energy: -70.290 bonds (distance) P-C4' energy: -66.284 flat angles C4'-P-C4' energy: -82.373 flat angles P-C4'-P energy: -53.434 tors. eta vs tors. theta energy: -121.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1451.555464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.555464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.555464 (E_RNA) where: Base-Base interactions energy: -1087.693 where: short stacking energy: -407.906 Base-Backbone interact. energy: -1.145 local terms energy: -362.717687 where: bonds (distance) C4'-P energy: -66.629 bonds (distance) P-C4' energy: -56.381 flat angles C4'-P-C4' energy: -70.315 flat angles P-C4'-P energy: -50.882 tors. eta vs tors. theta energy: -118.511 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: 9 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1349.142091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.142091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.142091 (E_RNA) where: Base-Base interactions energy: -983.410 where: short stacking energy: -395.169 Base-Backbone interact. energy: 0.124 local terms energy: -365.855421 where: bonds (distance) C4'-P energy: -67.848 bonds (distance) P-C4' energy: -57.960 flat angles C4'-P-C4' energy: -73.489 flat angles P-C4'-P energy: -49.762 tors. eta vs tors. theta energy: -116.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1314.000487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.000487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.000487 (E_RNA) where: Base-Base interactions energy: -962.582 where: short stacking energy: -355.359 Base-Backbone interact. energy: -1.622 local terms energy: -349.797182 where: bonds (distance) C4'-P energy: -63.061 bonds (distance) P-C4' energy: -61.776 flat angles C4'-P-C4' energy: -73.878 flat angles P-C4'-P energy: -46.773 tors. eta vs tors. theta energy: -104.309 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: 10, replica: 8 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -1112.645497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.645497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.645497 (E_RNA) where: Base-Base interactions energy: -801.188 where: short stacking energy: -320.435 Base-Backbone interact. energy: -1.267 local terms energy: -310.190959 where: bonds (distance) C4'-P energy: -58.493 bonds (distance) P-C4' energy: -56.631 flat angles C4'-P-C4' energy: -62.253 flat angles P-C4'-P energy: -46.484 tors. eta vs tors. theta energy: -86.330 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: 5 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1700.853733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.853733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.853733 (E_RNA) where: Base-Base interactions energy: -1241.079 where: short stacking energy: -488.183 Base-Backbone interact. energy: -0.105 local terms energy: -459.669717 where: bonds (distance) C4'-P energy: -82.199 bonds (distance) P-C4' energy: -66.346 flat angles C4'-P-C4' energy: -95.972 flat angles P-C4'-P energy: -65.895 tors. eta vs tors. theta energy: -149.258 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: 2, replica: 3 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1595.888849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.888849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.888849 (E_RNA) where: Base-Base interactions energy: -1180.429 where: short stacking energy: -460.377 Base-Backbone interact. energy: -0.319 local terms energy: -415.141239 where: bonds (distance) C4'-P energy: -52.808 bonds (distance) P-C4' energy: -81.616 flat angles C4'-P-C4' energy: -87.109 flat angles P-C4'-P energy: -60.617 tors. eta vs tors. theta energy: -132.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1594.122314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.122314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.122314 (E_RNA) where: Base-Base interactions energy: -1147.276 where: short stacking energy: -448.574 Base-Backbone interact. energy: -0.679 local terms energy: -446.166942 where: bonds (distance) C4'-P energy: -87.755 bonds (distance) P-C4' energy: -76.333 flat angles C4'-P-C4' energy: -89.318 flat angles P-C4'-P energy: -61.421 tors. eta vs tors. theta energy: -131.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1518.849849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.849849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.849849 (E_RNA) where: Base-Base interactions energy: -1110.809 where: short stacking energy: -441.070 Base-Backbone interact. energy: -0.230 local terms energy: -407.811744 where: bonds (distance) C4'-P energy: -61.710 bonds (distance) P-C4' energy: -64.224 flat angles C4'-P-C4' energy: -86.424 flat angles P-C4'-P energy: -62.569 tors. eta vs tors. theta energy: -132.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1529.200284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.200284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.200284 (E_RNA) where: Base-Base interactions energy: -1114.284 where: short stacking energy: -433.830 Base-Backbone interact. energy: 1.520 local terms energy: -416.436356 where: bonds (distance) C4'-P energy: -68.352 bonds (distance) P-C4' energy: -78.212 flat angles C4'-P-C4' energy: -87.830 flat angles P-C4'-P energy: -54.263 tors. eta vs tors. theta energy: -127.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1473.173606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.173606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.173606 (E_RNA) where: Base-Base interactions energy: -1079.070 where: short stacking energy: -426.372 Base-Backbone interact. energy: -0.067 local terms energy: -394.037019 where: bonds (distance) C4'-P energy: -70.362 bonds (distance) P-C4' energy: -68.218 flat angles C4'-P-C4' energy: -76.532 flat angles P-C4'-P energy: -52.008 tors. eta vs tors. theta energy: -126.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1442.167380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.167380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.167380 (E_RNA) where: Base-Base interactions energy: -1049.044 where: short stacking energy: -396.270 Base-Backbone interact. energy: -0.437 local terms energy: -392.687238 where: bonds (distance) C4'-P energy: -78.290 bonds (distance) P-C4' energy: -67.490 flat angles C4'-P-C4' energy: -78.455 flat angles P-C4'-P energy: -46.210 tors. eta vs tors. theta energy: -122.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1366.732456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.732456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.732456 (E_RNA) where: Base-Base interactions energy: -981.105 where: short stacking energy: -376.896 Base-Backbone interact. energy: -1.851 local terms energy: -383.776108 where: bonds (distance) C4'-P energy: -68.028 bonds (distance) P-C4' energy: -62.043 flat angles C4'-P-C4' energy: -79.990 flat angles P-C4'-P energy: -63.649 tors. eta vs tors. theta energy: -110.066 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: 9, replica: 9 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1313.467374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.467374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.467374 (E_RNA) where: Base-Base interactions energy: -947.291 where: short stacking energy: -366.499 Base-Backbone interact. energy: -0.592 local terms energy: -365.583810 where: bonds (distance) C4'-P energy: -56.115 bonds (distance) P-C4' energy: -70.859 flat angles C4'-P-C4' energy: -85.561 flat angles P-C4'-P energy: -44.702 tors. eta vs tors. theta energy: -108.347 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: 8 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1146.602392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.602392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.602392 (E_RNA) where: Base-Base interactions energy: -812.413 where: short stacking energy: -341.145 Base-Backbone interact. energy: -0.288 local terms energy: -333.900778 where: bonds (distance) C4'-P energy: -62.436 bonds (distance) P-C4' energy: -51.694 flat angles C4'-P-C4' energy: -72.554 flat angles P-C4'-P energy: -48.807 tors. eta vs tors. theta energy: -98.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1721.668233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.668233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.668233 (E_RNA) where: Base-Base interactions energy: -1255.706 where: short stacking energy: -490.325 Base-Backbone interact. energy: -1.197 local terms energy: -464.765727 where: bonds (distance) C4'-P energy: -80.027 bonds (distance) P-C4' energy: -74.972 flat angles C4'-P-C4' energy: -93.975 flat angles P-C4'-P energy: -68.013 tors. eta vs tors. theta energy: -147.779 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: 2, replica: 3 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1600.289259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.289259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.289259 (E_RNA) where: Base-Base interactions energy: -1168.600 where: short stacking energy: -458.606 Base-Backbone interact. energy: -0.463 local terms energy: -431.226751 where: bonds (distance) C4'-P energy: -73.490 bonds (distance) P-C4' energy: -70.114 flat angles C4'-P-C4' energy: -91.377 flat angles P-C4'-P energy: -66.712 tors. eta vs tors. theta energy: -129.533 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: 432 Temperature: 1.000000 Total energy: -1550.586267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.586267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.586267 (E_RNA) where: Base-Base interactions energy: -1128.008 where: short stacking energy: -436.900 Base-Backbone interact. energy: -0.249 local terms energy: -422.329332 where: bonds (distance) C4'-P energy: -69.880 bonds (distance) P-C4' energy: -73.525 flat angles C4'-P-C4' energy: -80.280 flat angles P-C4'-P energy: -68.347 tors. eta vs tors. theta energy: -130.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1567.195244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.195244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.195244 (E_RNA) where: Base-Base interactions energy: -1131.026 where: short stacking energy: -433.652 Base-Backbone interact. energy: -1.701 local terms energy: -434.468571 where: bonds (distance) C4'-P energy: -68.196 bonds (distance) P-C4' energy: -70.711 flat angles C4'-P-C4' energy: -95.498 flat angles P-C4'-P energy: -66.728 tors. eta vs tors. theta energy: -133.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1517.719750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.719750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.719750 (E_RNA) where: Base-Base interactions energy: -1105.706 where: short stacking energy: -422.343 Base-Backbone interact. energy: 0.701 local terms energy: -412.714346 where: bonds (distance) C4'-P energy: -59.566 bonds (distance) P-C4' energy: -71.629 flat angles C4'-P-C4' energy: -92.747 flat angles P-C4'-P energy: -62.099 tors. eta vs tors. theta energy: -126.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1468.782411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.782411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.782411 (E_RNA) where: Base-Base interactions energy: -1080.186 where: short stacking energy: -412.482 Base-Backbone interact. energy: 0.187 local terms energy: -388.782812 where: bonds (distance) C4'-P energy: -57.467 bonds (distance) P-C4' energy: -77.785 flat angles C4'-P-C4' energy: -80.629 flat angles P-C4'-P energy: -53.037 tors. eta vs tors. theta energy: -119.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1463.352559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.352559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.352559 (E_RNA) where: Base-Base interactions energy: -1083.200 where: short stacking energy: -404.578 Base-Backbone interact. energy: 0.021 local terms energy: -380.173773 where: bonds (distance) C4'-P energy: -50.330 bonds (distance) P-C4' energy: -73.911 flat angles C4'-P-C4' energy: -82.357 flat angles P-C4'-P energy: -52.518 tors. eta vs tors. theta energy: -121.058 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: 4 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1335.753447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.753447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.753447 (E_RNA) where: Base-Base interactions energy: -980.531 where: short stacking energy: -371.062 Base-Backbone interact. energy: 0.763 local terms energy: -355.985586 where: bonds (distance) C4'-P energy: -58.033 bonds (distance) P-C4' energy: -52.161 flat angles C4'-P-C4' energy: -80.867 flat angles P-C4'-P energy: -58.579 tors. eta vs tors. theta energy: -106.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1297.306513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.306513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.306513 (E_RNA) where: Base-Base interactions energy: -948.117 where: short stacking energy: -368.041 Base-Backbone interact. energy: -0.434 local terms energy: -348.755254 where: bonds (distance) C4'-P energy: -59.749 bonds (distance) P-C4' energy: -66.176 flat angles C4'-P-C4' energy: -77.630 flat angles P-C4'-P energy: -31.655 tors. eta vs tors. theta energy: -113.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -1145.813594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.813594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.813594 (E_RNA) where: Base-Base interactions energy: -807.730 where: short stacking energy: -313.790 Base-Backbone interact. energy: 1.117 local terms energy: -339.201241 where: bonds (distance) C4'-P energy: -63.556 bonds (distance) P-C4' energy: -55.069 flat angles C4'-P-C4' energy: -73.677 flat angles P-C4'-P energy: -51.493 tors. eta vs tors. theta energy: -95.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1707.901772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.901772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.901772 (E_RNA) where: Base-Base interactions energy: -1260.643 where: short stacking energy: -496.984 Base-Backbone interact. energy: -0.484 local terms energy: -446.775486 where: bonds (distance) C4'-P energy: -70.547 bonds (distance) P-C4' energy: -73.429 flat angles C4'-P-C4' energy: -93.638 flat angles P-C4'-P energy: -64.283 tors. eta vs tors. theta energy: -144.879 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: 3 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1598.875312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.875312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.875312 (E_RNA) where: Base-Base interactions energy: -1179.910 where: short stacking energy: -458.248 Base-Backbone interact. energy: -2.008 local terms energy: -416.957141 where: bonds (distance) C4'-P energy: -70.149 bonds (distance) P-C4' energy: -64.164 flat angles C4'-P-C4' energy: -86.684 flat angles P-C4'-P energy: -60.601 tors. eta vs tors. theta energy: -135.360 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: 1 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1569.185811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.185811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.185811 (E_RNA) where: Base-Base interactions energy: -1132.687 where: short stacking energy: -436.448 Base-Backbone interact. energy: 0.472 local terms energy: -436.970566 where: bonds (distance) C4'-P energy: -74.753 bonds (distance) P-C4' energy: -80.317 flat angles C4'-P-C4' energy: -85.637 flat angles P-C4'-P energy: -65.514 tors. eta vs tors. theta energy: -130.749 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: 433 Temperature: 1.050000 Total energy: -1589.022535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.022535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.022535 (E_RNA) where: Base-Base interactions energy: -1156.031 where: short stacking energy: -447.091 Base-Backbone interact. energy: 0.733 local terms energy: -433.724736 where: bonds (distance) C4'-P energy: -65.065 bonds (distance) P-C4' energy: -79.709 flat angles C4'-P-C4' energy: -92.689 flat angles P-C4'-P energy: -64.053 tors. eta vs tors. theta energy: -132.209 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: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1533.969614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.969614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.969614 (E_RNA) where: Base-Base interactions energy: -1107.588 where: short stacking energy: -421.140 Base-Backbone interact. energy: 4.391 local terms energy: -430.772619 where: bonds (distance) C4'-P energy: -76.349 bonds (distance) P-C4' energy: -67.295 flat angles C4'-P-C4' energy: -92.623 flat angles P-C4'-P energy: -64.033 tors. eta vs tors. theta energy: -130.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1478.920382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.920382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.920382 (E_RNA) where: Base-Base interactions energy: -1087.748 where: short stacking energy: -407.944 Base-Backbone interact. energy: -0.402 local terms energy: -390.770641 where: bonds (distance) C4'-P energy: -77.263 bonds (distance) P-C4' energy: -72.936 flat angles C4'-P-C4' energy: -73.056 flat angles P-C4'-P energy: -45.324 tors. eta vs tors. theta energy: -122.191 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: 10 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1444.031479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.031479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.031479 (E_RNA) where: Base-Base interactions energy: -1058.852 where: short stacking energy: -413.459 Base-Backbone interact. energy: -0.863 local terms energy: -384.317051 where: bonds (distance) C4'-P energy: -63.773 bonds (distance) P-C4' energy: -66.923 flat angles C4'-P-C4' energy: -82.533 flat angles P-C4'-P energy: -52.811 tors. eta vs tors. theta energy: -118.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1346.019527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.019527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.019527 (E_RNA) where: Base-Base interactions energy: -985.433 where: short stacking energy: -381.296 Base-Backbone interact. energy: -0.394 local terms energy: -360.193012 where: bonds (distance) C4'-P energy: -60.850 bonds (distance) P-C4' energy: -61.077 flat angles C4'-P-C4' energy: -81.144 flat angles P-C4'-P energy: -44.402 tors. eta vs tors. theta energy: -112.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1311.659255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.659255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.659255 (E_RNA) where: Base-Base interactions energy: -963.278 where: short stacking energy: -377.885 Base-Backbone interact. energy: -0.770 local terms energy: -347.610919 where: bonds (distance) C4'-P energy: -53.629 bonds (distance) P-C4' energy: -51.057 flat angles C4'-P-C4' energy: -84.304 flat angles P-C4'-P energy: -43.204 tors. eta vs tors. theta energy: -115.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -1148.372585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.372585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.372585 (E_RNA) where: Base-Base interactions energy: -816.248 where: short stacking energy: -323.018 Base-Backbone interact. energy: 0.392 local terms energy: -332.516139 where: bonds (distance) C4'-P energy: -62.860 bonds (distance) P-C4' energy: -66.636 flat angles C4'-P-C4' energy: -63.917 flat angles P-C4'-P energy: -49.701 tors. eta vs tors. theta energy: -89.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1709.117455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.117455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.117455 (E_RNA) where: Base-Base interactions energy: -1249.214 where: short stacking energy: -488.166 Base-Backbone interact. energy: -0.420 local terms energy: -459.483163 where: bonds (distance) C4'-P energy: -59.957 bonds (distance) P-C4' energy: -85.190 flat angles C4'-P-C4' energy: -94.678 flat angles P-C4'-P energy: -70.460 tors. eta vs tors. theta energy: -149.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1595.561773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.561773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.561773 (E_RNA) where: Base-Base interactions energy: -1163.209 where: short stacking energy: -447.461 Base-Backbone interact. energy: 0.834 local terms energy: -433.186583 where: bonds (distance) C4'-P energy: -80.520 bonds (distance) P-C4' energy: -65.822 flat angles C4'-P-C4' energy: -91.046 flat angles P-C4'-P energy: -62.764 tors. eta vs tors. theta energy: -133.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1580.383100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.383100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.383100 (E_RNA) where: Base-Base interactions energy: -1150.229 where: short stacking energy: -439.798 Base-Backbone interact. energy: -0.754 local terms energy: -429.400687 where: bonds (distance) C4'-P energy: -59.111 bonds (distance) P-C4' energy: -73.696 flat angles C4'-P-C4' energy: -89.925 flat angles P-C4'-P energy: -67.521 tors. eta vs tors. theta energy: -139.148 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: 1 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1519.463968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.463968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.463968 (E_RNA) where: Base-Base interactions energy: -1107.309 where: short stacking energy: -438.883 Base-Backbone interact. energy: -0.613 local terms energy: -411.542558 where: bonds (distance) C4'-P energy: -58.194 bonds (distance) P-C4' energy: -69.642 flat angles C4'-P-C4' energy: -94.010 flat angles P-C4'-P energy: -60.379 tors. eta vs tors. theta energy: -129.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1517.463829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.463829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.463829 (E_RNA) where: Base-Base interactions energy: -1113.673 where: short stacking energy: -425.077 Base-Backbone interact. energy: -0.851 local terms energy: -402.940400 where: bonds (distance) C4'-P energy: -59.386 bonds (distance) P-C4' energy: -78.578 flat angles C4'-P-C4' energy: -83.499 flat angles P-C4'-P energy: -55.005 tors. eta vs tors. theta energy: -126.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1492.827891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.827891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.827891 (E_RNA) where: Base-Base interactions energy: -1090.682 where: short stacking energy: -408.228 Base-Backbone interact. energy: -0.079 local terms energy: -402.067437 where: bonds (distance) C4'-P energy: -69.273 bonds (distance) P-C4' energy: -72.438 flat angles C4'-P-C4' energy: -78.898 flat angles P-C4'-P energy: -60.358 tors. eta vs tors. theta energy: -121.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1439.560226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.560226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.560226 (E_RNA) where: Base-Base interactions energy: -1046.954 where: short stacking energy: -417.770 Base-Backbone interact. energy: 0.024 local terms energy: -392.630270 where: bonds (distance) C4'-P energy: -67.595 bonds (distance) P-C4' energy: -61.544 flat angles C4'-P-C4' energy: -84.158 flat angles P-C4'-P energy: -58.714 tors. eta vs tors. theta energy: -120.619 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: 8, replica: 4 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1352.326653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.326653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.326653 (E_RNA) where: Base-Base interactions energy: -969.278 where: short stacking energy: -371.766 Base-Backbone interact. energy: 0.028 local terms energy: -383.076399 where: bonds (distance) C4'-P energy: -58.883 bonds (distance) P-C4' energy: -67.481 flat angles C4'-P-C4' energy: -81.054 flat angles P-C4'-P energy: -55.317 tors. eta vs tors. theta energy: -120.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1308.930027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.930027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.930027 (E_RNA) where: Base-Base interactions energy: -967.208 where: short stacking energy: -386.597 Base-Backbone interact. energy: 0.604 local terms energy: -342.326782 where: bonds (distance) C4'-P energy: -58.483 bonds (distance) P-C4' energy: -51.472 flat angles C4'-P-C4' energy: -80.755 flat angles P-C4'-P energy: -41.382 tors. eta vs tors. theta energy: -110.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -1166.895467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.895467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.895467 (E_RNA) where: Base-Base interactions energy: -836.672 where: short stacking energy: -328.197 Base-Backbone interact. energy: 2.540 local terms energy: -332.763621 where: bonds (distance) C4'-P energy: -58.705 bonds (distance) P-C4' energy: -54.633 flat angles C4'-P-C4' energy: -73.164 flat angles P-C4'-P energy: -53.744 tors. eta vs tors. theta energy: -92.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1722.164012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.164012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.164012 (E_RNA) where: Base-Base interactions energy: -1249.726 where: short stacking energy: -493.387 Base-Backbone interact. energy: -0.647 local terms energy: -471.790714 where: bonds (distance) C4'-P energy: -78.767 bonds (distance) P-C4' energy: -80.666 flat angles C4'-P-C4' energy: -94.004 flat angles P-C4'-P energy: -67.894 tors. eta vs tors. theta energy: -150.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1590.196328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.196328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.196328 (E_RNA) where: Base-Base interactions energy: -1157.999 where: short stacking energy: -447.658 Base-Backbone interact. energy: -1.522 local terms energy: -430.675429 where: bonds (distance) C4'-P energy: -78.273 bonds (distance) P-C4' energy: -69.080 flat angles C4'-P-C4' energy: -92.172 flat angles P-C4'-P energy: -58.912 tors. eta vs tors. theta energy: -132.237 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: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1561.776298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.776298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.776298 (E_RNA) where: Base-Base interactions energy: -1126.990 where: short stacking energy: -431.459 Base-Backbone interact. energy: -0.585 local terms energy: -434.201781 where: bonds (distance) C4'-P energy: -70.776 bonds (distance) P-C4' energy: -75.279 flat angles C4'-P-C4' energy: -90.482 flat angles P-C4'-P energy: -63.392 tors. eta vs tors. theta energy: -134.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1532.149821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.149821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.149821 (E_RNA) where: Base-Base interactions energy: -1116.041 where: short stacking energy: -439.585 Base-Backbone interact. energy: -0.440 local terms energy: -415.668954 where: bonds (distance) C4'-P energy: -64.032 bonds (distance) P-C4' energy: -76.130 flat angles C4'-P-C4' energy: -87.523 flat angles P-C4'-P energy: -54.312 tors. eta vs tors. theta energy: -133.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1521.596092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.596092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.596092 (E_RNA) where: Base-Base interactions energy: -1119.952 where: short stacking energy: -426.534 Base-Backbone interact. energy: -0.622 local terms energy: -401.022621 where: bonds (distance) C4'-P energy: -64.940 bonds (distance) P-C4' energy: -60.817 flat angles C4'-P-C4' energy: -79.220 flat angles P-C4'-P energy: -64.347 tors. eta vs tors. theta energy: -131.698 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: 7 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1485.048617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.048617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.048617 (E_RNA) where: Base-Base interactions energy: -1121.339 where: short stacking energy: -429.121 Base-Backbone interact. energy: 5.081 local terms energy: -368.790715 where: bonds (distance) C4'-P energy: -51.142 bonds (distance) P-C4' energy: -59.729 flat angles C4'-P-C4' energy: -84.858 flat angles P-C4'-P energy: -52.013 tors. eta vs tors. theta energy: -121.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1431.283078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.283078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.283078 (E_RNA) where: Base-Base interactions energy: -1060.626 where: short stacking energy: -408.043 Base-Backbone interact. energy: -1.100 local terms energy: -369.556854 where: bonds (distance) C4'-P energy: -67.923 bonds (distance) P-C4' energy: -45.809 flat angles C4'-P-C4' energy: -76.109 flat angles P-C4'-P energy: -61.838 tors. eta vs tors. theta energy: -117.878 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: 9 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1364.221590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.221590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.221590 (E_RNA) where: Base-Base interactions energy: -992.113 where: short stacking energy: -387.143 Base-Backbone interact. energy: -0.495 local terms energy: -371.613068 where: bonds (distance) C4'-P energy: -61.436 bonds (distance) P-C4' energy: -63.208 flat angles C4'-P-C4' energy: -73.596 flat angles P-C4'-P energy: -55.621 tors. eta vs tors. theta energy: -117.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1318.674869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.674869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.674869 (E_RNA) where: Base-Base interactions energy: -938.151 where: short stacking energy: -363.840 Base-Backbone interact. energy: -0.371 local terms energy: -380.153507 where: bonds (distance) C4'-P energy: -69.420 bonds (distance) P-C4' energy: -67.185 flat angles C4'-P-C4' energy: -72.079 flat angles P-C4'-P energy: -56.571 tors. eta vs tors. theta energy: -114.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -1149.612094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.612094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.612094 (E_RNA) where: Base-Base interactions energy: -833.472 where: short stacking energy: -335.847 Base-Backbone interact. energy: -1.174 local terms energy: -314.965681 where: bonds (distance) C4'-P energy: -37.508 bonds (distance) P-C4' energy: -62.871 flat angles C4'-P-C4' energy: -77.540 flat angles P-C4'-P energy: -42.587 tors. eta vs tors. theta energy: -94.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1742.062901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.062901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.062901 (E_RNA) where: Base-Base interactions energy: -1267.728 where: short stacking energy: -496.501 Base-Backbone interact. energy: -0.333 local terms energy: -474.002301 where: bonds (distance) C4'-P energy: -75.083 bonds (distance) P-C4' energy: -77.881 flat angles C4'-P-C4' energy: -100.101 flat angles P-C4'-P energy: -71.158 tors. eta vs tors. theta energy: -149.779 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: 2, replica: 2 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1598.471350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.471350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.471350 (E_RNA) where: Base-Base interactions energy: -1165.462 where: short stacking energy: -451.502 Base-Backbone interact. energy: -0.062 local terms energy: -432.947511 where: bonds (distance) C4'-P energy: -80.921 bonds (distance) P-C4' energy: -75.506 flat angles C4'-P-C4' energy: -84.725 flat angles P-C4'-P energy: -53.757 tors. eta vs tors. theta energy: -138.039 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: 3, replica: 3 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1563.138912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.138912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.138912 (E_RNA) where: Base-Base interactions energy: -1146.565 where: short stacking energy: -444.125 Base-Backbone interact. energy: -0.500 local terms energy: -416.073972 where: bonds (distance) C4'-P energy: -75.598 bonds (distance) P-C4' energy: -69.048 flat angles C4'-P-C4' energy: -90.803 flat angles P-C4'-P energy: -53.555 tors. eta vs tors. theta energy: -127.069 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: 4, replica: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1520.531611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.531611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.531611 (E_RNA) where: Base-Base interactions energy: -1098.052 where: short stacking energy: -440.278 Base-Backbone interact. energy: -1.772 local terms energy: -420.707072 where: bonds (distance) C4'-P energy: -88.687 bonds (distance) P-C4' energy: -61.050 flat angles C4'-P-C4' energy: -85.902 flat angles P-C4'-P energy: -59.808 tors. eta vs tors. theta energy: -125.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1514.551813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.551813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.551813 (E_RNA) where: Base-Base interactions energy: -1115.362 where: short stacking energy: -429.776 Base-Backbone interact. energy: -0.737 local terms energy: -398.452714 where: bonds (distance) C4'-P energy: -61.645 bonds (distance) P-C4' energy: -66.874 flat angles C4'-P-C4' energy: -85.008 flat angles P-C4'-P energy: -53.862 tors. eta vs tors. theta energy: -131.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1472.811705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.811705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.811705 (E_RNA) where: Base-Base interactions energy: -1076.903 where: short stacking energy: -401.616 Base-Backbone interact. energy: -0.697 local terms energy: -395.211869 where: bonds (distance) C4'-P energy: -66.055 bonds (distance) P-C4' energy: -77.456 flat angles C4'-P-C4' energy: -82.826 flat angles P-C4'-P energy: -47.872 tors. eta vs tors. theta energy: -121.003 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: 436 Temperature: 1.200000 Total energy: -1413.534328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.534328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.534328 (E_RNA) where: Base-Base interactions energy: -1030.061 where: short stacking energy: -405.796 Base-Backbone interact. energy: -0.587 local terms energy: -382.885912 where: bonds (distance) C4'-P energy: -61.339 bonds (distance) P-C4' energy: -62.368 flat angles C4'-P-C4' energy: -82.260 flat angles P-C4'-P energy: -50.000 tors. eta vs tors. theta energy: -126.918 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: 10 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1420.147131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.147131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.147131 (E_RNA) where: Base-Base interactions energy: -1039.919 where: short stacking energy: -402.447 Base-Backbone interact. energy: 1.787 local terms energy: -382.014973 where: bonds (distance) C4'-P energy: -59.869 bonds (distance) P-C4' energy: -59.535 flat angles C4'-P-C4' energy: -81.401 flat angles P-C4'-P energy: -56.454 tors. eta vs tors. theta energy: -124.756 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: 4 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1318.349399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.349399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.349399 (E_RNA) where: Base-Base interactions energy: -973.897 where: short stacking energy: -358.194 Base-Backbone interact. energy: -0.252 local terms energy: -344.200950 where: bonds (distance) C4'-P energy: -72.103 bonds (distance) P-C4' energy: -54.659 flat angles C4'-P-C4' energy: -69.642 flat angles P-C4'-P energy: -42.061 tors. eta vs tors. theta energy: -105.736 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: 10, replica: 8 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -1106.189605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.189605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.189605 (E_RNA) where: Base-Base interactions energy: -790.895 where: short stacking energy: -313.158 Base-Backbone interact. energy: -0.188 local terms energy: -315.106353 where: bonds (distance) C4'-P energy: -45.260 bonds (distance) P-C4' energy: -59.243 flat angles C4'-P-C4' energy: -73.184 flat angles P-C4'-P energy: -45.476 tors. eta vs tors. theta energy: -91.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1714.886602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.886602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.886602 (E_RNA) where: Base-Base interactions energy: -1242.507 where: short stacking energy: -477.158 Base-Backbone interact. energy: -0.187 local terms energy: -472.192652 where: bonds (distance) C4'-P energy: -78.232 bonds (distance) P-C4' energy: -75.141 flat angles C4'-P-C4' energy: -101.346 flat angles P-C4'-P energy: -69.105 tors. eta vs tors. theta energy: -148.370 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: 2 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1606.542643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.542643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.542643 (E_RNA) where: Base-Base interactions energy: -1182.346 where: short stacking energy: -469.033 Base-Backbone interact. energy: -0.865 local terms energy: -423.331175 where: bonds (distance) C4'-P energy: -72.647 bonds (distance) P-C4' energy: -74.677 flat angles C4'-P-C4' energy: -86.696 flat angles P-C4'-P energy: -54.574 tors. eta vs tors. theta energy: -134.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1567.563250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.563250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.563250 (E_RNA) where: Base-Base interactions energy: -1136.044 where: short stacking energy: -444.223 Base-Backbone interact. energy: -1.172 local terms energy: -430.347603 where: bonds (distance) C4'-P energy: -78.113 bonds (distance) P-C4' energy: -73.560 flat angles C4'-P-C4' energy: -89.127 flat angles P-C4'-P energy: -55.243 tors. eta vs tors. theta energy: -134.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1530.347723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.347723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.347723 (E_RNA) where: Base-Base interactions energy: -1123.985 where: short stacking energy: -428.307 Base-Backbone interact. energy: -0.693 local terms energy: -405.669582 where: bonds (distance) C4'-P energy: -61.802 bonds (distance) P-C4' energy: -70.498 flat angles C4'-P-C4' energy: -78.842 flat angles P-C4'-P energy: -60.602 tors. eta vs tors. theta energy: -133.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1525.014171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.014171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.014171 (E_RNA) where: Base-Base interactions energy: -1101.933 where: short stacking energy: -435.432 Base-Backbone interact. energy: -0.498 local terms energy: -422.583021 where: bonds (distance) C4'-P energy: -66.322 bonds (distance) P-C4' energy: -75.603 flat angles C4'-P-C4' energy: -89.235 flat angles P-C4'-P energy: -58.051 tors. eta vs tors. theta energy: -133.373 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: 6, replica: 7 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1473.777500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.777500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.777500 (E_RNA) where: Base-Base interactions energy: -1081.927 where: short stacking energy: -397.296 Base-Backbone interact. energy: -0.835 local terms energy: -391.015768 where: bonds (distance) C4'-P energy: -68.332 bonds (distance) P-C4' energy: -67.769 flat angles C4'-P-C4' energy: -78.471 flat angles P-C4'-P energy: -56.132 tors. eta vs tors. theta energy: -120.312 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: 7, replica: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1412.016644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.016644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.016644 (E_RNA) where: Base-Base interactions energy: -1037.750 where: short stacking energy: -406.538 Base-Backbone interact. energy: -0.233 local terms energy: -374.034385 where: bonds (distance) C4'-P energy: -53.859 bonds (distance) P-C4' energy: -50.953 flat angles C4'-P-C4' energy: -82.047 flat angles P-C4'-P energy: -67.055 tors. eta vs tors. theta energy: -120.121 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: 8, replica: 10 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1402.124047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.124047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.124047 (E_RNA) where: Base-Base interactions energy: -1023.581 where: short stacking energy: -394.275 Base-Backbone interact. energy: -0.530 local terms energy: -378.012991 where: bonds (distance) C4'-P energy: -56.816 bonds (distance) P-C4' energy: -71.172 flat angles C4'-P-C4' energy: -77.932 flat angles P-C4'-P energy: -52.849 tors. eta vs tors. theta energy: -119.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1265.271783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.271783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.271783 (E_RNA) where: Base-Base interactions energy: -926.794 where: short stacking energy: -354.950 Base-Backbone interact. energy: -0.637 local terms energy: -337.840932 where: bonds (distance) C4'-P energy: -61.533 bonds (distance) P-C4' energy: -53.583 flat angles C4'-P-C4' energy: -69.031 flat angles P-C4'-P energy: -49.893 tors. eta vs tors. theta energy: -103.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -1096.129124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.129124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.129124 (E_RNA) where: Base-Base interactions energy: -769.035 where: short stacking energy: -291.378 Base-Backbone interact. energy: -0.462 local terms energy: -326.631652 where: bonds (distance) C4'-P energy: -56.990 bonds (distance) P-C4' energy: -64.981 flat angles C4'-P-C4' energy: -68.304 flat angles P-C4'-P energy: -56.888 tors. eta vs tors. theta energy: -79.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1730.222273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.222273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.222273 (E_RNA) where: Base-Base interactions energy: -1269.528 where: short stacking energy: -501.666 Base-Backbone interact. energy: -0.079 local terms energy: -460.614735 where: bonds (distance) C4'-P energy: -71.793 bonds (distance) P-C4' energy: -69.703 flat angles C4'-P-C4' energy: -96.603 flat angles P-C4'-P energy: -71.459 tors. eta vs tors. theta energy: -151.058 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: 2 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1605.263526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.263526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.263526 (E_RNA) where: Base-Base interactions energy: -1168.664 where: short stacking energy: -461.981 Base-Backbone interact. energy: -0.593 local terms energy: -436.006631 where: bonds (distance) C4'-P energy: -71.185 bonds (distance) P-C4' energy: -72.481 flat angles C4'-P-C4' energy: -89.711 flat angles P-C4'-P energy: -65.495 tors. eta vs tors. theta energy: -137.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1564.631663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.631663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.631663 (E_RNA) where: Base-Base interactions energy: -1154.348 where: short stacking energy: -444.551 Base-Backbone interact. energy: -0.477 local terms energy: -409.806736 where: bonds (distance) C4'-P energy: -79.033 bonds (distance) P-C4' energy: -61.690 flat angles C4'-P-C4' energy: -86.533 flat angles P-C4'-P energy: -54.373 tors. eta vs tors. theta energy: -128.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1542.306360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.306360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.306360 (E_RNA) where: Base-Base interactions energy: -1136.147 where: short stacking energy: -437.082 Base-Backbone interact. energy: 0.059 local terms energy: -406.218603 where: bonds (distance) C4'-P energy: -66.795 bonds (distance) P-C4' energy: -63.859 flat angles C4'-P-C4' energy: -89.407 flat angles P-C4'-P energy: -55.052 tors. eta vs tors. theta energy: -131.106 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: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1497.352298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.352298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.352298 (E_RNA) where: Base-Base interactions energy: -1087.993 where: short stacking energy: -427.065 Base-Backbone interact. energy: -0.660 local terms energy: -408.699246 where: bonds (distance) C4'-P energy: -66.118 bonds (distance) P-C4' energy: -72.794 flat angles C4'-P-C4' energy: -83.753 flat angles P-C4'-P energy: -58.468 tors. eta vs tors. theta energy: -127.567 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: 7 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1451.571890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.571890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.571890 (E_RNA) where: Base-Base interactions energy: -1061.433 where: short stacking energy: -397.031 Base-Backbone interact. energy: 3.561 local terms energy: -393.700372 where: bonds (distance) C4'-P energy: -66.983 bonds (distance) P-C4' energy: -75.527 flat angles C4'-P-C4' energy: -76.334 flat angles P-C4'-P energy: -54.055 tors. eta vs tors. theta energy: -120.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1422.407629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.407629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.407629 (E_RNA) where: Base-Base interactions energy: -1020.320 where: short stacking energy: -419.014 Base-Backbone interact. energy: -0.641 local terms energy: -401.446758 where: bonds (distance) C4'-P energy: -74.044 bonds (distance) P-C4' energy: -64.593 flat angles C4'-P-C4' energy: -75.175 flat angles P-C4'-P energy: -61.297 tors. eta vs tors. theta energy: -126.338 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: 8, replica: 10 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1400.452756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.452756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.452756 (E_RNA) where: Base-Base interactions energy: -1030.241 where: short stacking energy: -391.860 Base-Backbone interact. energy: -1.694 local terms energy: -368.517080 where: bonds (distance) C4'-P energy: -71.269 bonds (distance) P-C4' energy: -59.287 flat angles C4'-P-C4' energy: -72.649 flat angles P-C4'-P energy: -50.330 tors. eta vs tors. theta energy: -114.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1273.846078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.846078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.846078 (E_RNA) where: Base-Base interactions energy: -915.173 where: short stacking energy: -363.354 Base-Backbone interact. energy: -0.277 local terms energy: -358.396166 where: bonds (distance) C4'-P energy: -68.773 bonds (distance) P-C4' energy: -53.833 flat angles C4'-P-C4' energy: -74.577 flat angles P-C4'-P energy: -50.939 tors. eta vs tors. theta energy: -110.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -1125.379494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.379494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.379494 (E_RNA) where: Base-Base interactions energy: -797.706 where: short stacking energy: -316.448 Base-Backbone interact. energy: 1.187 local terms energy: -328.860905 where: bonds (distance) C4'-P energy: -67.807 bonds (distance) P-C4' energy: -61.426 flat angles C4'-P-C4' energy: -78.266 flat angles P-C4'-P energy: -42.502 tors. eta vs tors. theta energy: -78.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1703.513447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.513447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.513447 (E_RNA) where: Base-Base interactions energy: -1236.160 where: short stacking energy: -482.231 Base-Backbone interact. energy: 0.049 local terms energy: -467.401793 where: bonds (distance) C4'-P energy: -75.849 bonds (distance) P-C4' energy: -83.986 flat angles C4'-P-C4' energy: -86.391 flat angles P-C4'-P energy: -69.873 tors. eta vs tors. theta energy: -151.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1609.999895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.999895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.999895 (E_RNA) where: Base-Base interactions energy: -1165.537 where: short stacking energy: -456.724 Base-Backbone interact. energy: -1.695 local terms energy: -442.767451 where: bonds (distance) C4'-P energy: -70.917 bonds (distance) P-C4' energy: -78.756 flat angles C4'-P-C4' energy: -93.146 flat angles P-C4'-P energy: -65.663 tors. eta vs tors. theta energy: -134.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1554.934359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.934359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.934359 (E_RNA) where: Base-Base interactions energy: -1125.325 where: short stacking energy: -427.985 Base-Backbone interact. energy: -0.738 local terms energy: -428.870484 where: bonds (distance) C4'-P energy: -71.712 bonds (distance) P-C4' energy: -74.924 flat angles C4'-P-C4' energy: -93.089 flat angles P-C4'-P energy: -60.840 tors. eta vs tors. theta energy: -128.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1535.509492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.509492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.509492 (E_RNA) where: Base-Base interactions energy: -1109.440 where: short stacking energy: -435.198 Base-Backbone interact. energy: -0.810 local terms energy: -425.258772 where: bonds (distance) C4'-P energy: -77.257 bonds (distance) P-C4' energy: -70.493 flat angles C4'-P-C4' energy: -88.102 flat angles P-C4'-P energy: -59.110 tors. eta vs tors. theta energy: -130.296 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: 1 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1498.483106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.483106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.483106 (E_RNA) where: Base-Base interactions energy: -1086.682 where: short stacking energy: -438.589 Base-Backbone interact. energy: -0.490 local terms energy: -411.311346 where: bonds (distance) C4'-P energy: -66.777 bonds (distance) P-C4' energy: -59.674 flat angles C4'-P-C4' energy: -89.631 flat angles P-C4'-P energy: -58.324 tors. eta vs tors. theta energy: -136.905 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: 7 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1454.229473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.229473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.229473 (E_RNA) where: Base-Base interactions energy: -1074.727 where: short stacking energy: -402.165 Base-Backbone interact. energy: -2.385 local terms energy: -377.116934 where: bonds (distance) C4'-P energy: -63.714 bonds (distance) P-C4' energy: -60.861 flat angles C4'-P-C4' energy: -84.685 flat angles P-C4'-P energy: -51.836 tors. eta vs tors. theta energy: -116.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1381.431661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.431661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.431661 (E_RNA) where: Base-Base interactions energy: -1000.147 where: short stacking energy: -396.936 Base-Backbone interact. energy: -0.435 local terms energy: -380.849784 where: bonds (distance) C4'-P energy: -53.183 bonds (distance) P-C4' energy: -70.756 flat angles C4'-P-C4' energy: -81.112 flat angles P-C4'-P energy: -55.878 tors. eta vs tors. theta energy: -119.921 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: 8, replica: 10 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1403.255759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.255759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.255759 (E_RNA) where: Base-Base interactions energy: -1035.466 where: short stacking energy: -400.237 Base-Backbone interact. energy: -0.922 local terms energy: -366.867329 where: bonds (distance) C4'-P energy: -65.747 bonds (distance) P-C4' energy: -62.961 flat angles C4'-P-C4' energy: -75.071 flat angles P-C4'-P energy: -46.269 tors. eta vs tors. theta energy: -116.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1237.775878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.775878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.775878 (E_RNA) where: Base-Base interactions energy: -901.986 where: short stacking energy: -356.974 Base-Backbone interact. energy: 3.242 local terms energy: -339.031961 where: bonds (distance) C4'-P energy: -61.694 bonds (distance) P-C4' energy: -54.925 flat angles C4'-P-C4' energy: -70.251 flat angles P-C4'-P energy: -49.736 tors. eta vs tors. theta energy: -102.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -1233.864730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.864730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.864730 (E_RNA) where: Base-Base interactions energy: -905.196 where: short stacking energy: -371.122 Base-Backbone interact. energy: -0.960 local terms energy: -327.708873 where: bonds (distance) C4'-P energy: -53.603 bonds (distance) P-C4' energy: -62.022 flat angles C4'-P-C4' energy: -72.286 flat angles P-C4'-P energy: -43.113 tors. eta vs tors. theta energy: -96.685 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: 5 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1717.892507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.892507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.892507 (E_RNA) where: Base-Base interactions energy: -1249.135 where: short stacking energy: -489.499 Base-Backbone interact. energy: 1.583 local terms energy: -470.340208 where: bonds (distance) C4'-P energy: -82.476 bonds (distance) P-C4' energy: -72.101 flat angles C4'-P-C4' energy: -100.054 flat angles P-C4'-P energy: -68.573 tors. eta vs tors. theta energy: -147.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1585.283191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.283191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.283191 (E_RNA) where: Base-Base interactions energy: -1153.634 where: short stacking energy: -458.389 Base-Backbone interact. energy: 1.545 local terms energy: -433.194245 where: bonds (distance) C4'-P energy: -74.961 bonds (distance) P-C4' energy: -82.030 flat angles C4'-P-C4' energy: -86.873 flat angles P-C4'-P energy: -55.694 tors. eta vs tors. theta energy: -133.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1590.711608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.711608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.711608 (E_RNA) where: Base-Base interactions energy: -1176.425 where: short stacking energy: -462.658 Base-Backbone interact. energy: -0.066 local terms energy: -414.221023 where: bonds (distance) C4'-P energy: -70.844 bonds (distance) P-C4' energy: -75.015 flat angles C4'-P-C4' energy: -86.528 flat angles P-C4'-P energy: -48.235 tors. eta vs tors. theta energy: -133.599 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: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1531.287884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.287884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.287884 (E_RNA) where: Base-Base interactions energy: -1126.656 where: short stacking energy: -436.141 Base-Backbone interact. energy: 1.061 local terms energy: -405.693353 where: bonds (distance) C4'-P energy: -60.937 bonds (distance) P-C4' energy: -73.300 flat angles C4'-P-C4' energy: -83.915 flat angles P-C4'-P energy: -65.472 tors. eta vs tors. theta energy: -122.070 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: 1 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1507.307272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.307272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.307272 (E_RNA) where: Base-Base interactions energy: -1089.277 where: short stacking energy: -422.856 Base-Backbone interact. energy: -2.610 local terms energy: -415.420434 where: bonds (distance) C4'-P energy: -70.851 bonds (distance) P-C4' energy: -70.379 flat angles C4'-P-C4' energy: -76.880 flat angles P-C4'-P energy: -66.516 tors. eta vs tors. theta energy: -130.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1451.587741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.587741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.587741 (E_RNA) where: Base-Base interactions energy: -1061.149 where: short stacking energy: -391.639 Base-Backbone interact. energy: -0.593 local terms energy: -389.846008 where: bonds (distance) C4'-P energy: -73.547 bonds (distance) P-C4' energy: -63.446 flat angles C4'-P-C4' energy: -86.615 flat angles P-C4'-P energy: -56.144 tors. eta vs tors. theta energy: -110.095 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: 10 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1432.710153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.710153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.710153 (E_RNA) where: Base-Base interactions energy: -1032.310 where: short stacking energy: -405.153 Base-Backbone interact. energy: 4.717 local terms energy: -405.117338 where: bonds (distance) C4'-P energy: -69.006 bonds (distance) P-C4' energy: -67.393 flat angles C4'-P-C4' energy: -77.643 flat angles P-C4'-P energy: -68.078 tors. eta vs tors. theta energy: -122.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1357.398663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.398663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.398663 (E_RNA) where: Base-Base interactions energy: -982.977 where: short stacking energy: -379.749 Base-Backbone interact. energy: 0.065 local terms energy: -374.487147 where: bonds (distance) C4'-P energy: -52.651 bonds (distance) P-C4' energy: -74.609 flat angles C4'-P-C4' energy: -76.671 flat angles P-C4'-P energy: -56.801 tors. eta vs tors. theta energy: -113.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1249.918786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.918786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.918786 (E_RNA) where: Base-Base interactions energy: -893.288 where: short stacking energy: -353.781 Base-Backbone interact. energy: 0.123 local terms energy: -356.753963 where: bonds (distance) C4'-P energy: -66.841 bonds (distance) P-C4' energy: -69.873 flat angles C4'-P-C4' energy: -67.938 flat angles P-C4'-P energy: -46.481 tors. eta vs tors. theta energy: -105.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -1182.690431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.690431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.690431 (E_RNA) where: Base-Base interactions energy: -865.854 where: short stacking energy: -347.805 Base-Backbone interact. energy: 2.524 local terms energy: -319.361084 where: bonds (distance) C4'-P energy: -50.290 bonds (distance) P-C4' energy: -50.062 flat angles C4'-P-C4' energy: -76.577 flat angles P-C4'-P energy: -42.182 tors. eta vs tors. theta energy: -100.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1706.117833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.117833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.117833 (E_RNA) where: Base-Base interactions energy: -1235.608 where: short stacking energy: -482.387 Base-Backbone interact. energy: 1.185 local terms energy: -471.695065 where: bonds (distance) C4'-P energy: -79.423 bonds (distance) P-C4' energy: -79.354 flat angles C4'-P-C4' energy: -96.308 flat angles P-C4'-P energy: -67.268 tors. eta vs tors. theta energy: -149.341 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: 6 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1598.487308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.487308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.487308 (E_RNA) where: Base-Base interactions energy: -1162.901 where: short stacking energy: -455.720 Base-Backbone interact. energy: -1.266 local terms energy: -434.320021 where: bonds (distance) C4'-P energy: -71.894 bonds (distance) P-C4' energy: -72.285 flat angles C4'-P-C4' energy: -90.169 flat angles P-C4'-P energy: -65.338 tors. eta vs tors. theta energy: -134.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1588.395276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.395276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.395276 (E_RNA) where: Base-Base interactions energy: -1137.511 where: short stacking energy: -439.820 Base-Backbone interact. energy: -0.681 local terms energy: -450.203113 where: bonds (distance) C4'-P energy: -76.075 bonds (distance) P-C4' energy: -79.908 flat angles C4'-P-C4' energy: -93.125 flat angles P-C4'-P energy: -64.280 tors. eta vs tors. theta energy: -136.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1535.346403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.346403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.346403 (E_RNA) where: Base-Base interactions energy: -1118.479 where: short stacking energy: -425.484 Base-Backbone interact. energy: -0.548 local terms energy: -416.319280 where: bonds (distance) C4'-P energy: -73.408 bonds (distance) P-C4' energy: -59.399 flat angles C4'-P-C4' energy: -92.051 flat angles P-C4'-P energy: -65.667 tors. eta vs tors. theta energy: -125.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1513.490349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.490349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.490349 (E_RNA) where: Base-Base interactions energy: -1098.004 where: short stacking energy: -431.616 Base-Backbone interact. energy: -0.507 local terms energy: -414.979442 where: bonds (distance) C4'-P energy: -67.532 bonds (distance) P-C4' energy: -69.007 flat angles C4'-P-C4' energy: -84.520 flat angles P-C4'-P energy: -63.967 tors. eta vs tors. theta energy: -129.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1462.774986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.774986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.774986 (E_RNA) where: Base-Base interactions energy: -1053.483 where: short stacking energy: -414.631 Base-Backbone interact. energy: -0.762 local terms energy: -408.529909 where: bonds (distance) C4'-P energy: -75.952 bonds (distance) P-C4' energy: -64.670 flat angles C4'-P-C4' energy: -89.509 flat angles P-C4'-P energy: -57.974 tors. eta vs tors. theta energy: -120.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1443.067742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.067742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.067742 (E_RNA) where: Base-Base interactions energy: -1069.616 where: short stacking energy: -389.505 Base-Backbone interact. energy: 2.171 local terms energy: -375.623161 where: bonds (distance) C4'-P energy: -56.069 bonds (distance) P-C4' energy: -71.002 flat angles C4'-P-C4' energy: -71.641 flat angles P-C4'-P energy: -64.262 tors. eta vs tors. theta energy: -112.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1357.770166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.770166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.770166 (E_RNA) where: Base-Base interactions energy: -1002.942 where: short stacking energy: -391.356 Base-Backbone interact. energy: -0.986 local terms energy: -353.841548 where: bonds (distance) C4'-P energy: -69.860 bonds (distance) P-C4' energy: -54.674 flat angles C4'-P-C4' energy: -69.078 flat angles P-C4'-P energy: -50.078 tors. eta vs tors. theta energy: -110.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1271.783461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.783461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.783461 (E_RNA) where: Base-Base interactions energy: -918.212 where: short stacking energy: -354.088 Base-Backbone interact. energy: -0.220 local terms energy: -353.350624 where: bonds (distance) C4'-P energy: -57.954 bonds (distance) P-C4' energy: -55.910 flat angles C4'-P-C4' energy: -80.993 flat angles P-C4'-P energy: -48.180 tors. eta vs tors. theta energy: -110.313 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: 4 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1148.248748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.248748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.248748 (E_RNA) where: Base-Base interactions energy: -834.270 where: short stacking energy: -320.547 Base-Backbone interact. energy: 0.489 local terms energy: -314.468409 where: bonds (distance) C4'-P energy: -53.929 bonds (distance) P-C4' energy: -58.710 flat angles C4'-P-C4' energy: -74.587 flat angles P-C4'-P energy: -37.043 tors. eta vs tors. theta energy: -90.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1717.916966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.916966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.916966 (E_RNA) where: Base-Base interactions energy: -1235.501 where: short stacking energy: -484.314 Base-Backbone interact. energy: 0.319 local terms energy: -482.734806 where: bonds (distance) C4'-P energy: -83.331 bonds (distance) P-C4' energy: -80.146 flat angles C4'-P-C4' energy: -97.355 flat angles P-C4'-P energy: -72.398 tors. eta vs tors. theta energy: -149.504 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: 2, replica: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1593.615244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.615244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.615244 (E_RNA) where: Base-Base interactions energy: -1168.657 where: short stacking energy: -462.435 Base-Backbone interact. energy: -0.065 local terms energy: -424.894045 where: bonds (distance) C4'-P energy: -77.352 bonds (distance) P-C4' energy: -73.136 flat angles C4'-P-C4' energy: -85.940 flat angles P-C4'-P energy: -55.734 tors. eta vs tors. theta energy: -132.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1572.548704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.548704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.548704 (E_RNA) where: Base-Base interactions energy: -1142.119 where: short stacking energy: -439.335 Base-Backbone interact. energy: 0.364 local terms energy: -430.793182 where: bonds (distance) C4'-P energy: -81.320 bonds (distance) P-C4' energy: -63.625 flat angles C4'-P-C4' energy: -87.933 flat angles P-C4'-P energy: -61.134 tors. eta vs tors. theta energy: -136.781 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: 442 Temperature: 1.050000 Total energy: -1513.465794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.465794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.465794 (E_RNA) where: Base-Base interactions energy: -1108.902 where: short stacking energy: -431.742 Base-Backbone interact. energy: 1.144 local terms energy: -405.707635 where: bonds (distance) C4'-P energy: -64.259 bonds (distance) P-C4' energy: -75.090 flat angles C4'-P-C4' energy: -79.677 flat angles P-C4'-P energy: -64.091 tors. eta vs tors. theta energy: -122.590 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: 1 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1535.256999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.256999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.256999 (E_RNA) where: Base-Base interactions energy: -1105.599 where: short stacking energy: -437.337 Base-Backbone interact. energy: -0.448 local terms energy: -429.209613 where: bonds (distance) C4'-P energy: -74.575 bonds (distance) P-C4' energy: -76.096 flat angles C4'-P-C4' energy: -92.066 flat angles P-C4'-P energy: -54.028 tors. eta vs tors. theta energy: -132.444 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: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1431.416890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.416890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.416890 (E_RNA) where: Base-Base interactions energy: -1045.817 where: short stacking energy: -412.457 Base-Backbone interact. energy: 3.667 local terms energy: -389.267418 where: bonds (distance) C4'-P energy: -68.886 bonds (distance) P-C4' energy: -62.679 flat angles C4'-P-C4' energy: -85.343 flat angles P-C4'-P energy: -57.494 tors. eta vs tors. theta energy: -114.865 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: 7 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1453.779009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.779009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.779009 (E_RNA) where: Base-Base interactions energy: -1087.905 where: short stacking energy: -411.779 Base-Backbone interact. energy: 0.788 local terms energy: -366.662850 where: bonds (distance) C4'-P energy: -60.156 bonds (distance) P-C4' energy: -72.900 flat angles C4'-P-C4' energy: -70.568 flat angles P-C4'-P energy: -42.488 tors. eta vs tors. theta energy: -120.550 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: 9 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1379.444914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.444914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.444914 (E_RNA) where: Base-Base interactions energy: -1000.267 where: short stacking energy: -377.973 Base-Backbone interact. energy: -0.383 local terms energy: -378.795563 where: bonds (distance) C4'-P energy: -62.089 bonds (distance) P-C4' energy: -68.593 flat angles C4'-P-C4' energy: -76.650 flat angles P-C4'-P energy: -53.118 tors. eta vs tors. theta energy: -118.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1235.698448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.698448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.698448 (E_RNA) where: Base-Base interactions energy: -879.984 where: short stacking energy: -368.629 Base-Backbone interact. energy: -0.628 local terms energy: -355.086051 where: bonds (distance) C4'-P energy: -57.378 bonds (distance) P-C4' energy: -68.512 flat angles C4'-P-C4' energy: -78.488 flat angles P-C4'-P energy: -43.761 tors. eta vs tors. theta energy: -106.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -1164.722111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.722111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.722111 (E_RNA) where: Base-Base interactions energy: -840.734 where: short stacking energy: -344.460 Base-Backbone interact. energy: -0.875 local terms energy: -323.112632 where: bonds (distance) C4'-P energy: -41.459 bonds (distance) P-C4' energy: -60.941 flat angles C4'-P-C4' energy: -79.142 flat angles P-C4'-P energy: -47.882 tors. eta vs tors. theta energy: -93.689 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: 1, replica: 5 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1723.039487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.039487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.039487 (E_RNA) where: Base-Base interactions energy: -1262.809 where: short stacking energy: -489.562 Base-Backbone interact. energy: 0.290 local terms energy: -460.520212 where: bonds (distance) C4'-P energy: -77.710 bonds (distance) P-C4' energy: -76.565 flat angles C4'-P-C4' energy: -90.769 flat angles P-C4'-P energy: -62.955 tors. eta vs tors. theta energy: -152.521 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: 2, replica: 2 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1603.234384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.234384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.234384 (E_RNA) where: Base-Base interactions energy: -1161.321 where: short stacking energy: -466.718 Base-Backbone interact. energy: -0.611 local terms energy: -441.302677 where: bonds (distance) C4'-P energy: -67.907 bonds (distance) P-C4' energy: -74.740 flat angles C4'-P-C4' energy: -90.036 flat angles P-C4'-P energy: -68.723 tors. eta vs tors. theta energy: -139.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1569.997605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.997605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.997605 (E_RNA) where: Base-Base interactions energy: -1147.683 where: short stacking energy: -443.317 Base-Backbone interact. energy: -0.431 local terms energy: -421.884571 where: bonds (distance) C4'-P energy: -76.453 bonds (distance) P-C4' energy: -64.824 flat angles C4'-P-C4' energy: -89.130 flat angles P-C4'-P energy: -60.157 tors. eta vs tors. theta energy: -131.321 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: 1 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1524.684358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.684358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.684358 (E_RNA) where: Base-Base interactions energy: -1112.715 where: short stacking energy: -447.554 Base-Backbone interact. energy: -0.924 local terms energy: -411.044835 where: bonds (distance) C4'-P energy: -76.738 bonds (distance) P-C4' energy: -61.868 flat angles C4'-P-C4' energy: -84.246 flat angles P-C4'-P energy: -58.285 tors. eta vs tors. theta energy: -129.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1516.644417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.644417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.644417 (E_RNA) where: Base-Base interactions energy: -1099.347 where: short stacking energy: -417.622 Base-Backbone interact. energy: 0.799 local terms energy: -418.096436 where: bonds (distance) C4'-P energy: -65.935 bonds (distance) P-C4' energy: -78.820 flat angles C4'-P-C4' energy: -88.999 flat angles P-C4'-P energy: -54.766 tors. eta vs tors. theta energy: -129.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1463.746652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.746652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.746652 (E_RNA) where: Base-Base interactions energy: -1082.928 where: short stacking energy: -414.717 Base-Backbone interact. energy: -0.578 local terms energy: -380.241002 where: bonds (distance) C4'-P energy: -58.187 bonds (distance) P-C4' energy: -64.528 flat angles C4'-P-C4' energy: -86.286 flat angles P-C4'-P energy: -49.660 tors. eta vs tors. theta energy: -121.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1438.512943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.512943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.512943 (E_RNA) where: Base-Base interactions energy: -1046.094 where: short stacking energy: -420.973 Base-Backbone interact. energy: 0.806 local terms energy: -393.224665 where: bonds (distance) C4'-P energy: -46.421 bonds (distance) P-C4' energy: -75.128 flat angles C4'-P-C4' energy: -88.752 flat angles P-C4'-P energy: -61.381 tors. eta vs tors. theta energy: -121.543 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: 8, replica: 9 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1397.273279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.273279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.273279 (E_RNA) where: Base-Base interactions energy: -1001.421 where: short stacking energy: -387.127 Base-Backbone interact. energy: 2.596 local terms energy: -398.449119 where: bonds (distance) C4'-P energy: -70.455 bonds (distance) P-C4' energy: -61.158 flat angles C4'-P-C4' energy: -87.474 flat angles P-C4'-P energy: -54.474 tors. eta vs tors. theta energy: -124.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1255.449443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.449443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.449443 (E_RNA) where: Base-Base interactions energy: -901.754 where: short stacking energy: -355.367 Base-Backbone interact. energy: -0.048 local terms energy: -353.648264 where: bonds (distance) C4'-P energy: -63.526 bonds (distance) P-C4' energy: -61.541 flat angles C4'-P-C4' energy: -80.659 flat angles P-C4'-P energy: -45.149 tors. eta vs tors. theta energy: -102.773 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: 10, replica: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -1133.471211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.471211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.471211 (E_RNA) where: Base-Base interactions energy: -803.365 where: short stacking energy: -317.570 Base-Backbone interact. energy: -1.635 local terms energy: -328.471617 where: bonds (distance) C4'-P energy: -58.102 bonds (distance) P-C4' energy: -69.881 flat angles C4'-P-C4' energy: -67.742 flat angles P-C4'-P energy: -44.948 tors. eta vs tors. theta energy: -87.800 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: 5 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1691.435483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.435483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.435483 (E_RNA) where: Base-Base interactions energy: -1247.144 where: short stacking energy: -484.033 Base-Backbone interact. energy: -0.193 local terms energy: -444.098911 where: bonds (distance) C4'-P energy: -67.317 bonds (distance) P-C4' energy: -73.117 flat angles C4'-P-C4' energy: -96.813 flat angles P-C4'-P energy: -61.707 tors. eta vs tors. theta energy: -145.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1602.118523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.118523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.118523 (E_RNA) where: Base-Base interactions energy: -1171.106 where: short stacking energy: -466.136 Base-Backbone interact. energy: -0.367 local terms energy: -430.645782 where: bonds (distance) C4'-P energy: -65.649 bonds (distance) P-C4' energy: -78.177 flat angles C4'-P-C4' energy: -87.470 flat angles P-C4'-P energy: -61.600 tors. eta vs tors. theta energy: -137.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1555.410279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.410279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.410279 (E_RNA) where: Base-Base interactions energy: -1122.939 where: short stacking energy: -435.759 Base-Backbone interact. energy: -1.292 local terms energy: -431.180215 where: bonds (distance) C4'-P energy: -66.311 bonds (distance) P-C4' energy: -78.543 flat angles C4'-P-C4' energy: -89.778 flat angles P-C4'-P energy: -67.084 tors. eta vs tors. theta energy: -129.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1527.365557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.365557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.365557 (E_RNA) where: Base-Base interactions energy: -1134.664 where: short stacking energy: -442.496 Base-Backbone interact. energy: 2.065 local terms energy: -394.766186 where: bonds (distance) C4'-P energy: -57.441 bonds (distance) P-C4' energy: -67.704 flat angles C4'-P-C4' energy: -87.426 flat angles P-C4'-P energy: -53.265 tors. eta vs tors. theta energy: -128.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1520.907412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.907412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.907412 (E_RNA) where: Base-Base interactions energy: -1123.975 where: short stacking energy: -424.457 Base-Backbone interact. energy: -0.891 local terms energy: -396.041298 where: bonds (distance) C4'-P energy: -64.470 bonds (distance) P-C4' energy: -58.179 flat angles C4'-P-C4' energy: -84.015 flat angles P-C4'-P energy: -60.764 tors. eta vs tors. theta energy: -128.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1462.654226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.654226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.654226 (E_RNA) where: Base-Base interactions energy: -1066.993 where: short stacking energy: -396.811 Base-Backbone interact. energy: -0.651 local terms energy: -395.010365 where: bonds (distance) C4'-P energy: -67.980 bonds (distance) P-C4' energy: -69.417 flat angles C4'-P-C4' energy: -76.640 flat angles P-C4'-P energy: -59.666 tors. eta vs tors. theta energy: -121.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1420.037292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.037292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.037292 (E_RNA) where: Base-Base interactions energy: -1048.246 where: short stacking energy: -412.398 Base-Backbone interact. energy: -0.181 local terms energy: -371.610841 where: bonds (distance) C4'-P energy: -56.183 bonds (distance) P-C4' energy: -54.467 flat angles C4'-P-C4' energy: -82.462 flat angles P-C4'-P energy: -52.887 tors. eta vs tors. theta energy: -125.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1373.195808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.195808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.195808 (E_RNA) where: Base-Base interactions energy: -1008.806 where: short stacking energy: -398.247 Base-Backbone interact. energy: -0.457 local terms energy: -363.933296 where: bonds (distance) C4'-P energy: -71.790 bonds (distance) P-C4' energy: -53.457 flat angles C4'-P-C4' energy: -71.767 flat angles P-C4'-P energy: -48.630 tors. eta vs tors. theta energy: -118.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1273.189735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.189735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.189735 (E_RNA) where: Base-Base interactions energy: -915.167 where: short stacking energy: -352.060 Base-Backbone interact. energy: 0.136 local terms energy: -358.158514 where: bonds (distance) C4'-P energy: -66.223 bonds (distance) P-C4' energy: -56.326 flat angles C4'-P-C4' energy: -77.430 flat angles P-C4'-P energy: -58.090 tors. eta vs tors. theta energy: -100.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -1109.461288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.461288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.461288 (E_RNA) where: Base-Base interactions energy: -811.786 where: short stacking energy: -315.456 Base-Backbone interact. energy: -0.242 local terms energy: -297.433868 where: bonds (distance) C4'-P energy: -51.393 bonds (distance) P-C4' energy: -47.726 flat angles C4'-P-C4' energy: -73.911 flat angles P-C4'-P energy: -41.360 tors. eta vs tors. theta energy: -83.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1701.906455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.906455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.906455 (E_RNA) where: Base-Base interactions energy: -1241.840 where: short stacking energy: -484.725 Base-Backbone interact. energy: -0.126 local terms energy: -459.940177 where: bonds (distance) C4'-P energy: -73.389 bonds (distance) P-C4' energy: -74.314 flat angles C4'-P-C4' energy: -96.314 flat angles P-C4'-P energy: -69.062 tors. eta vs tors. theta energy: -146.861 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: 2 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1597.247949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.247949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.247949 (E_RNA) where: Base-Base interactions energy: -1150.017 where: short stacking energy: -452.681 Base-Backbone interact. energy: -0.521 local terms energy: -446.709456 where: bonds (distance) C4'-P energy: -72.791 bonds (distance) P-C4' energy: -70.099 flat angles C4'-P-C4' energy: -93.225 flat angles P-C4'-P energy: -71.451 tors. eta vs tors. theta energy: -139.143 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: 1 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1576.557538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.557538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.557538 (E_RNA) where: Base-Base interactions energy: -1152.000 where: short stacking energy: -459.761 Base-Backbone interact. energy: -0.232 local terms energy: -424.325445 where: bonds (distance) C4'-P energy: -65.044 bonds (distance) P-C4' energy: -69.099 flat angles C4'-P-C4' energy: -91.160 flat angles P-C4'-P energy: -63.399 tors. eta vs tors. theta energy: -135.623 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: 3 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1548.116897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.116897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.116897 (E_RNA) where: Base-Base interactions energy: -1126.349 where: short stacking energy: -428.281 Base-Backbone interact. energy: 0.284 local terms energy: -422.052344 where: bonds (distance) C4'-P energy: -74.447 bonds (distance) P-C4' energy: -76.461 flat angles C4'-P-C4' energy: -87.612 flat angles P-C4'-P energy: -56.956 tors. eta vs tors. theta energy: -126.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1517.516921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.516921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.516921 (E_RNA) where: Base-Base interactions energy: -1110.036 where: short stacking energy: -440.865 Base-Backbone interact. energy: -1.608 local terms energy: -405.872954 where: bonds (distance) C4'-P energy: -74.801 bonds (distance) P-C4' energy: -60.279 flat angles C4'-P-C4' energy: -84.787 flat angles P-C4'-P energy: -57.082 tors. eta vs tors. theta energy: -128.924 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: 10 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1474.143549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.143549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.143549 (E_RNA) where: Base-Base interactions energy: -1044.285 where: short stacking energy: -408.140 Base-Backbone interact. energy: -0.742 local terms energy: -429.117077 where: bonds (distance) C4'-P energy: -78.716 bonds (distance) P-C4' energy: -68.849 flat angles C4'-P-C4' energy: -88.620 flat angles P-C4'-P energy: -64.514 tors. eta vs tors. theta energy: -128.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1448.584047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.584047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.584047 (E_RNA) where: Base-Base interactions energy: -1067.864 where: short stacking energy: -394.284 Base-Backbone interact. energy: 1.216 local terms energy: -381.936845 where: bonds (distance) C4'-P energy: -70.889 bonds (distance) P-C4' energy: -67.842 flat angles C4'-P-C4' energy: -80.026 flat angles P-C4'-P energy: -45.046 tors. eta vs tors. theta energy: -118.133 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: 9 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1344.853219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.853219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.853219 (E_RNA) where: Base-Base interactions energy: -979.440 where: short stacking energy: -384.034 Base-Backbone interact. energy: -1.005 local terms energy: -364.408812 where: bonds (distance) C4'-P energy: -64.224 bonds (distance) P-C4' energy: -51.829 flat angles C4'-P-C4' energy: -76.446 flat angles P-C4'-P energy: -59.532 tors. eta vs tors. theta energy: -112.378 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: 8 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1250.077801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.077801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.077801 (E_RNA) where: Base-Base interactions energy: -883.766 where: short stacking energy: -347.986 Base-Backbone interact. energy: -1.072 local terms energy: -365.239392 where: bonds (distance) C4'-P energy: -67.253 bonds (distance) P-C4' energy: -71.029 flat angles C4'-P-C4' energy: -79.314 flat angles P-C4'-P energy: -45.392 tors. eta vs tors. theta energy: -102.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -1097.650426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.650426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.650426 (E_RNA) where: Base-Base interactions energy: -778.395 where: short stacking energy: -303.258 Base-Backbone interact. energy: -1.080 local terms energy: -318.175711 where: bonds (distance) C4'-P energy: -56.817 bonds (distance) P-C4' energy: -60.123 flat angles C4'-P-C4' energy: -74.220 flat angles P-C4'-P energy: -42.140 tors. eta vs tors. theta energy: -84.876 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: 5 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1718.181507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.181507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.181507 (E_RNA) where: Base-Base interactions energy: -1255.956 where: short stacking energy: -491.383 Base-Backbone interact. energy: -0.682 local terms energy: -461.542659 where: bonds (distance) C4'-P energy: -79.397 bonds (distance) P-C4' energy: -74.119 flat angles C4'-P-C4' energy: -91.888 flat angles P-C4'-P energy: -66.958 tors. eta vs tors. theta energy: -149.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1617.909245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.909245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.909245 (E_RNA) where: Base-Base interactions energy: -1164.272 where: short stacking energy: -449.501 Base-Backbone interact. energy: -0.422 local terms energy: -453.215369 where: bonds (distance) C4'-P energy: -77.952 bonds (distance) P-C4' energy: -84.286 flat angles C4'-P-C4' energy: -87.308 flat angles P-C4'-P energy: -67.530 tors. eta vs tors. theta energy: -136.139 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: 446 Temperature: 1.000000 Total energy: -1569.473164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.473164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.473164 (E_RNA) where: Base-Base interactions energy: -1126.525 where: short stacking energy: -431.117 Base-Backbone interact. energy: 1.987 local terms energy: -444.935468 where: bonds (distance) C4'-P energy: -79.627 bonds (distance) P-C4' energy: -82.439 flat angles C4'-P-C4' energy: -87.648 flat angles P-C4'-P energy: -65.293 tors. eta vs tors. theta energy: -129.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1544.904202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.904202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.904202 (E_RNA) where: Base-Base interactions energy: -1113.418 where: short stacking energy: -433.444 Base-Backbone interact. energy: 0.180 local terms energy: -431.666098 where: bonds (distance) C4'-P energy: -72.640 bonds (distance) P-C4' energy: -66.943 flat angles C4'-P-C4' energy: -92.202 flat angles P-C4'-P energy: -63.890 tors. eta vs tors. theta energy: -135.992 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: 6 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1516.073332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.073332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.073332 (E_RNA) where: Base-Base interactions energy: -1106.187 where: short stacking energy: -423.718 Base-Backbone interact. energy: -1.019 local terms energy: -408.867994 where: bonds (distance) C4'-P energy: -72.553 bonds (distance) P-C4' energy: -61.121 flat angles C4'-P-C4' energy: -84.552 flat angles P-C4'-P energy: -63.589 tors. eta vs tors. theta energy: -127.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1439.668850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.668850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.668850 (E_RNA) where: Base-Base interactions energy: -1055.833 where: short stacking energy: -426.714 Base-Backbone interact. energy: -0.472 local terms energy: -383.363241 where: bonds (distance) C4'-P energy: -62.288 bonds (distance) P-C4' energy: -78.176 flat angles C4'-P-C4' energy: -63.051 flat angles P-C4'-P energy: -58.426 tors. eta vs tors. theta energy: -121.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1463.647313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.647313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.647313 (E_RNA) where: Base-Base interactions energy: -1074.888 where: short stacking energy: -401.371 Base-Backbone interact. energy: -1.200 local terms energy: -387.559760 where: bonds (distance) C4'-P energy: -74.797 bonds (distance) P-C4' energy: -72.146 flat angles C4'-P-C4' energy: -78.289 flat angles P-C4'-P energy: -43.282 tors. eta vs tors. theta energy: -119.046 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: 9 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1323.031236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.031236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.031236 (E_RNA) where: Base-Base interactions energy: -967.201 where: short stacking energy: -380.253 Base-Backbone interact. energy: -0.850 local terms energy: -354.980280 where: bonds (distance) C4'-P energy: -61.631 bonds (distance) P-C4' energy: -47.808 flat angles C4'-P-C4' energy: -80.088 flat angles P-C4'-P energy: -52.336 tors. eta vs tors. theta energy: -113.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1237.649950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.649950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.649950 (E_RNA) where: Base-Base interactions energy: -888.057 where: short stacking energy: -352.966 Base-Backbone interact. energy: -1.377 local terms energy: -348.216447 where: bonds (distance) C4'-P energy: -63.199 bonds (distance) P-C4' energy: -62.969 flat angles C4'-P-C4' energy: -73.075 flat angles P-C4'-P energy: -49.843 tors. eta vs tors. theta energy: -99.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -1117.748904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.748904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.748904 (E_RNA) where: Base-Base interactions energy: -794.698 where: short stacking energy: -308.777 Base-Backbone interact. energy: -0.957 local terms energy: -322.093414 where: bonds (distance) C4'-P energy: -61.020 bonds (distance) P-C4' energy: -48.058 flat angles C4'-P-C4' energy: -79.272 flat angles P-C4'-P energy: -47.135 tors. eta vs tors. theta energy: -86.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1729.580183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.580183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.580183 (E_RNA) where: Base-Base interactions energy: -1242.545 where: short stacking energy: -487.600 Base-Backbone interact. energy: -0.578 local terms energy: -486.456888 where: bonds (distance) C4'-P energy: -89.074 bonds (distance) P-C4' energy: -75.958 flat angles C4'-P-C4' energy: -94.042 flat angles P-C4'-P energy: -75.121 tors. eta vs tors. theta energy: -152.262 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: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1598.499773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.499773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.499773 (E_RNA) where: Base-Base interactions energy: -1153.903 where: short stacking energy: -465.162 Base-Backbone interact. energy: 0.169 local terms energy: -444.765205 where: bonds (distance) C4'-P energy: -73.502 bonds (distance) P-C4' energy: -68.641 flat angles C4'-P-C4' energy: -92.944 flat angles P-C4'-P energy: -68.279 tors. eta vs tors. theta energy: -141.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1569.318592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.318592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.318592 (E_RNA) where: Base-Base interactions energy: -1139.000 where: short stacking energy: -442.503 Base-Backbone interact. energy: -1.092 local terms energy: -429.226167 where: bonds (distance) C4'-P energy: -74.691 bonds (distance) P-C4' energy: -74.906 flat angles C4'-P-C4' energy: -93.001 flat angles P-C4'-P energy: -53.251 tors. eta vs tors. theta energy: -133.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1549.580098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.580098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.580098 (E_RNA) where: Base-Base interactions energy: -1123.663 where: short stacking energy: -443.872 Base-Backbone interact. energy: 0.949 local terms energy: -426.865851 where: bonds (distance) C4'-P energy: -72.885 bonds (distance) P-C4' energy: -66.855 flat angles C4'-P-C4' energy: -90.335 flat angles P-C4'-P energy: -59.366 tors. eta vs tors. theta energy: -137.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1534.506114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.506114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.506114 (E_RNA) where: Base-Base interactions energy: -1132.356 where: short stacking energy: -443.393 Base-Backbone interact. energy: -1.151 local terms energy: -400.999621 where: bonds (distance) C4'-P energy: -59.449 bonds (distance) P-C4' energy: -61.279 flat angles C4'-P-C4' energy: -86.203 flat angles P-C4'-P energy: -66.933 tors. eta vs tors. theta energy: -127.136 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: 6, replica: 7 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1489.195986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.195986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.195986 (E_RNA) where: Base-Base interactions energy: -1092.487 where: short stacking energy: -410.118 Base-Backbone interact. energy: -1.098 local terms energy: -395.610944 where: bonds (distance) C4'-P energy: -61.651 bonds (distance) P-C4' energy: -69.187 flat angles C4'-P-C4' energy: -91.666 flat angles P-C4'-P energy: -52.329 tors. eta vs tors. theta energy: -120.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1452.938885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.938885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.938885 (E_RNA) where: Base-Base interactions energy: -1067.149 where: short stacking energy: -414.756 Base-Backbone interact. energy: -0.390 local terms energy: -385.399860 where: bonds (distance) C4'-P energy: -58.596 bonds (distance) P-C4' energy: -74.034 flat angles C4'-P-C4' energy: -84.106 flat angles P-C4'-P energy: -49.515 tors. eta vs tors. theta energy: -119.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1349.928623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.928623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.928623 (E_RNA) where: Base-Base interactions energy: -988.786 where: short stacking energy: -387.801 Base-Backbone interact. energy: 1.085 local terms energy: -362.227808 where: bonds (distance) C4'-P energy: -64.036 bonds (distance) P-C4' energy: -59.652 flat angles C4'-P-C4' energy: -73.641 flat angles P-C4'-P energy: -50.250 tors. eta vs tors. theta energy: -114.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1208.921652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.921652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.921652 (E_RNA) where: Base-Base interactions energy: -879.847 where: short stacking energy: -349.990 Base-Backbone interact. energy: -1.325 local terms energy: -327.749384 where: bonds (distance) C4'-P energy: -64.515 bonds (distance) P-C4' energy: -50.370 flat angles C4'-P-C4' energy: -72.295 flat angles P-C4'-P energy: -52.350 tors. eta vs tors. theta energy: -88.219 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: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -1162.625221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.625221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.625221 (E_RNA) where: Base-Base interactions energy: -845.077 where: short stacking energy: -315.289 Base-Backbone interact. energy: 0.478 local terms energy: -318.025647 where: bonds (distance) C4'-P energy: -58.141 bonds (distance) P-C4' energy: -63.699 flat angles C4'-P-C4' energy: -70.004 flat angles P-C4'-P energy: -38.494 tors. eta vs tors. theta energy: -87.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1718.371661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.371661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.371661 (E_RNA) where: Base-Base interactions energy: -1249.958 where: short stacking energy: -502.067 Base-Backbone interact. energy: -0.177 local terms energy: -468.236306 where: bonds (distance) C4'-P energy: -74.238 bonds (distance) P-C4' energy: -72.390 flat angles C4'-P-C4' energy: -98.090 flat angles P-C4'-P energy: -73.564 tors. eta vs tors. theta energy: -149.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1598.318912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.318912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.318912 (E_RNA) where: Base-Base interactions energy: -1158.749 where: short stacking energy: -463.367 Base-Backbone interact. energy: -1.044 local terms energy: -438.525503 where: bonds (distance) C4'-P energy: -81.357 bonds (distance) P-C4' energy: -74.988 flat angles C4'-P-C4' energy: -90.649 flat angles P-C4'-P energy: -57.897 tors. eta vs tors. theta energy: -133.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1570.872996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.872996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.872996 (E_RNA) where: Base-Base interactions energy: -1147.876 where: short stacking energy: -451.124 Base-Backbone interact. energy: 0.022 local terms energy: -423.019235 where: bonds (distance) C4'-P energy: -69.358 bonds (distance) P-C4' energy: -65.469 flat angles C4'-P-C4' energy: -94.875 flat angles P-C4'-P energy: -58.998 tors. eta vs tors. theta energy: -134.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1554.605626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.605626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.605626 (E_RNA) where: Base-Base interactions energy: -1145.995 where: short stacking energy: -437.964 Base-Backbone interact. energy: -0.373 local terms energy: -408.237747 where: bonds (distance) C4'-P energy: -49.657 bonds (distance) P-C4' energy: -75.404 flat angles C4'-P-C4' energy: -91.036 flat angles P-C4'-P energy: -62.992 tors. eta vs tors. theta energy: -129.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1517.049269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.049269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.049269 (E_RNA) where: Base-Base interactions energy: -1106.567 where: short stacking energy: -405.003 Base-Backbone interact. energy: 0.040 local terms energy: -410.521976 where: bonds (distance) C4'-P energy: -79.341 bonds (distance) P-C4' energy: -66.081 flat angles C4'-P-C4' energy: -86.875 flat angles P-C4'-P energy: -57.625 tors. eta vs tors. theta energy: -120.601 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: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1506.134098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.134098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.134098 (E_RNA) where: Base-Base interactions energy: -1102.610 where: short stacking energy: -413.129 Base-Backbone interact. energy: -0.704 local terms energy: -402.820791 where: bonds (distance) C4'-P energy: -68.235 bonds (distance) P-C4' energy: -65.265 flat angles C4'-P-C4' energy: -88.107 flat angles P-C4'-P energy: -63.071 tors. eta vs tors. theta energy: -118.142 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: 10 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1439.094716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.094716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.094716 (E_RNA) where: Base-Base interactions energy: -1050.820 where: short stacking energy: -410.894 Base-Backbone interact. energy: -0.127 local terms energy: -388.148004 where: bonds (distance) C4'-P energy: -57.034 bonds (distance) P-C4' energy: -62.249 flat angles C4'-P-C4' energy: -84.790 flat angles P-C4'-P energy: -55.750 tors. eta vs tors. theta energy: -128.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1353.600911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.600911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.600911 (E_RNA) where: Base-Base interactions energy: -970.310 where: short stacking energy: -381.930 Base-Backbone interact. energy: -0.208 local terms energy: -383.082339 where: bonds (distance) C4'-P energy: -63.477 bonds (distance) P-C4' energy: -69.193 flat angles C4'-P-C4' energy: -77.420 flat angles P-C4'-P energy: -58.228 tors. eta vs tors. theta energy: -114.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1254.432757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.432757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.432757 (E_RNA) where: Base-Base interactions energy: -913.480 where: short stacking energy: -370.640 Base-Backbone interact. energy: -0.927 local terms energy: -340.026008 where: bonds (distance) C4'-P energy: -62.905 bonds (distance) P-C4' energy: -58.825 flat angles C4'-P-C4' energy: -84.242 flat angles P-C4'-P energy: -31.069 tors. eta vs tors. theta energy: -102.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -1255.916051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.916051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.916051 (E_RNA) where: Base-Base interactions energy: -884.546 where: short stacking energy: -355.269 Base-Backbone interact. energy: -0.715 local terms energy: -370.655701 where: bonds (distance) C4'-P energy: -61.172 bonds (distance) P-C4' energy: -76.910 flat angles C4'-P-C4' energy: -71.863 flat angles P-C4'-P energy: -49.695 tors. eta vs tors. theta energy: -111.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1721.031408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.031408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.031408 (E_RNA) where: Base-Base interactions energy: -1249.198 where: short stacking energy: -483.850 Base-Backbone interact. energy: -0.291 local terms energy: -471.542445 where: bonds (distance) C4'-P energy: -82.328 bonds (distance) P-C4' energy: -77.415 flat angles C4'-P-C4' energy: -96.800 flat angles P-C4'-P energy: -65.772 tors. eta vs tors. theta energy: -149.227 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: 2 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1587.055324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.055324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.055324 (E_RNA) where: Base-Base interactions energy: -1154.442 where: short stacking energy: -445.954 Base-Backbone interact. energy: -0.047 local terms energy: -432.566846 where: bonds (distance) C4'-P energy: -59.136 bonds (distance) P-C4' energy: -80.162 flat angles C4'-P-C4' energy: -89.710 flat angles P-C4'-P energy: -66.096 tors. eta vs tors. theta energy: -137.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1561.799050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.799050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.799050 (E_RNA) where: Base-Base interactions energy: -1146.363 where: short stacking energy: -442.960 Base-Backbone interact. energy: -0.240 local terms energy: -415.196150 where: bonds (distance) C4'-P energy: -65.770 bonds (distance) P-C4' energy: -75.740 flat angles C4'-P-C4' energy: -84.858 flat angles P-C4'-P energy: -59.211 tors. eta vs tors. theta energy: -129.618 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: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1546.883239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.883239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.883239 (E_RNA) where: Base-Base interactions energy: -1126.478 where: short stacking energy: -457.375 Base-Backbone interact. energy: -0.263 local terms energy: -420.142522 where: bonds (distance) C4'-P energy: -76.780 bonds (distance) P-C4' energy: -64.215 flat angles C4'-P-C4' energy: -91.854 flat angles P-C4'-P energy: -52.993 tors. eta vs tors. theta energy: -134.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1506.604597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.604597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.604597 (E_RNA) where: Base-Base interactions energy: -1114.839 where: short stacking energy: -431.192 Base-Backbone interact. energy: 0.566 local terms energy: -392.331419 where: bonds (distance) C4'-P energy: -66.738 bonds (distance) P-C4' energy: -60.486 flat angles C4'-P-C4' energy: -82.493 flat angles P-C4'-P energy: -57.182 tors. eta vs tors. theta energy: -125.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1475.378051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.378051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.378051 (E_RNA) where: Base-Base interactions energy: -1078.192 where: short stacking energy: -404.022 Base-Backbone interact. energy: -0.336 local terms energy: -396.849494 where: bonds (distance) C4'-P energy: -78.678 bonds (distance) P-C4' energy: -69.419 flat angles C4'-P-C4' energy: -84.875 flat angles P-C4'-P energy: -48.396 tors. eta vs tors. theta energy: -115.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1414.999198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.999198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.999198 (E_RNA) where: Base-Base interactions energy: -1050.211 where: short stacking energy: -406.946 Base-Backbone interact. energy: 1.073 local terms energy: -365.861297 where: bonds (distance) C4'-P energy: -66.042 bonds (distance) P-C4' energy: -58.993 flat angles C4'-P-C4' energy: -78.378 flat angles P-C4'-P energy: -46.234 tors. eta vs tors. theta energy: -116.214 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: 9 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1337.235338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.235338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.235338 (E_RNA) where: Base-Base interactions energy: -976.973 where: short stacking energy: -391.039 Base-Backbone interact. energy: 7.295 local terms energy: -367.557961 where: bonds (distance) C4'-P energy: -70.593 bonds (distance) P-C4' energy: -60.567 flat angles C4'-P-C4' energy: -72.494 flat angles P-C4'-P energy: -49.666 tors. eta vs tors. theta energy: -114.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1207.818739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.818739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.818739 (E_RNA) where: Base-Base interactions energy: -855.748 where: short stacking energy: -341.980 Base-Backbone interact. energy: -1.693 local terms energy: -350.377045 where: bonds (distance) C4'-P energy: -73.838 bonds (distance) P-C4' energy: -62.151 flat angles C4'-P-C4' energy: -78.562 flat angles P-C4'-P energy: -42.106 tors. eta vs tors. theta energy: -93.720 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: 8 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -1252.656878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.656878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.656878 (E_RNA) where: Base-Base interactions energy: -898.623 where: short stacking energy: -351.268 Base-Backbone interact. energy: -0.494 local terms energy: -353.539185 where: bonds (distance) C4'-P energy: -64.997 bonds (distance) P-C4' energy: -58.700 flat angles C4'-P-C4' energy: -71.729 flat angles P-C4'-P energy: -50.058 tors. eta vs tors. theta energy: -108.055 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: 450 Temperature: 0.900000 Total energy: -1713.444459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.444459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.444459 (E_RNA) where: Base-Base interactions energy: -1260.275 where: short stacking energy: -493.278 Base-Backbone interact. energy: -0.503 local terms energy: -452.666142 where: bonds (distance) C4'-P energy: -75.437 bonds (distance) P-C4' energy: -73.626 flat angles C4'-P-C4' energy: -94.749 flat angles P-C4'-P energy: -63.280 tors. eta vs tors. theta energy: -145.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1589.125305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.125305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.125305 (E_RNA) where: Base-Base interactions energy: -1149.625 where: short stacking energy: -457.974 Base-Backbone interact. energy: -1.090 local terms energy: -438.409742 where: bonds (distance) C4'-P energy: -76.401 bonds (distance) P-C4' energy: -74.042 flat angles C4'-P-C4' energy: -86.088 flat angles P-C4'-P energy: -64.396 tors. eta vs tors. theta energy: -137.482 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: 3, replica: 3 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1561.680634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.680634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.680634 (E_RNA) where: Base-Base interactions energy: -1134.268 where: short stacking energy: -437.032 Base-Backbone interact. energy: -0.664 local terms energy: -426.748892 where: bonds (distance) C4'-P energy: -72.329 bonds (distance) P-C4' energy: -78.881 flat angles C4'-P-C4' energy: -86.031 flat angles P-C4'-P energy: -62.203 tors. eta vs tors. theta energy: -127.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1545.459021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.459021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.459021 (E_RNA) where: Base-Base interactions energy: -1110.177 where: short stacking energy: -431.155 Base-Backbone interact. energy: -0.217 local terms energy: -435.065047 where: bonds (distance) C4'-P energy: -73.011 bonds (distance) P-C4' energy: -78.721 flat angles C4'-P-C4' energy: -89.784 flat angles P-C4'-P energy: -61.968 tors. eta vs tors. theta energy: -131.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1508.729731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.729731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.729731 (E_RNA) where: Base-Base interactions energy: -1102.628 where: short stacking energy: -432.640 Base-Backbone interact. energy: -2.103 local terms energy: -403.998983 where: bonds (distance) C4'-P energy: -58.221 bonds (distance) P-C4' energy: -66.736 flat angles C4'-P-C4' energy: -88.366 flat angles P-C4'-P energy: -61.192 tors. eta vs tors. theta energy: -129.484 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: 6, replica: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1487.991001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.991001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.991001 (E_RNA) where: Base-Base interactions energy: -1111.828 where: short stacking energy: -407.584 Base-Backbone interact. energy: -0.420 local terms energy: -375.743223 where: bonds (distance) C4'-P energy: -65.219 bonds (distance) P-C4' energy: -63.657 flat angles C4'-P-C4' energy: -80.673 flat angles P-C4'-P energy: -51.051 tors. eta vs tors. theta energy: -115.143 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: 7, replica: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1452.492428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.492428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.492428 (E_RNA) where: Base-Base interactions energy: -1048.744 where: short stacking energy: -406.225 Base-Backbone interact. energy: -0.783 local terms energy: -402.965726 where: bonds (distance) C4'-P energy: -69.876 bonds (distance) P-C4' energy: -63.947 flat angles C4'-P-C4' energy: -83.327 flat angles P-C4'-P energy: -56.310 tors. eta vs tors. theta energy: -129.506 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: 450 Temperature: 1.250000 Total energy: -1399.632387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.632387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.632387 (E_RNA) where: Base-Base interactions energy: -1035.669 where: short stacking energy: -409.101 Base-Backbone interact. energy: 0.368 local terms energy: -364.331699 where: bonds (distance) C4'-P energy: -56.910 bonds (distance) P-C4' energy: -57.468 flat angles C4'-P-C4' energy: -83.051 flat angles P-C4'-P energy: -45.266 tors. eta vs tors. theta energy: -121.637 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: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1277.148288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.148288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.148288 (E_RNA) where: Base-Base interactions energy: -916.194 where: short stacking energy: -361.006 Base-Backbone interact. energy: -0.864 local terms energy: -360.090874 where: bonds (distance) C4'-P energy: -65.082 bonds (distance) P-C4' energy: -55.119 flat angles C4'-P-C4' energy: -67.285 flat angles P-C4'-P energy: -59.471 tors. eta vs tors. theta energy: -113.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1211.246774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.246774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.246774 (E_RNA) where: Base-Base interactions energy: -888.645 where: short stacking energy: -356.642 Base-Backbone interact. energy: 1.142 local terms energy: -323.743941 where: bonds (distance) C4'-P energy: -50.763 bonds (distance) P-C4' energy: -69.833 flat angles C4'-P-C4' energy: -68.596 flat angles P-C4'-P energy: -38.587 tors. eta vs tors. theta energy: -95.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1705.177684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.177684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.177684 (E_RNA) where: Base-Base interactions energy: -1227.905 where: short stacking energy: -480.454 Base-Backbone interact. energy: -0.012 local terms energy: -477.261012 where: bonds (distance) C4'-P energy: -75.979 bonds (distance) P-C4' energy: -77.848 flat angles C4'-P-C4' energy: -98.740 flat angles P-C4'-P energy: -75.456 tors. eta vs tors. theta energy: -149.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1574.971835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.971835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.971835 (E_RNA) where: Base-Base interactions energy: -1143.141 where: short stacking energy: -441.482 Base-Backbone interact. energy: 3.638 local terms energy: -435.468800 where: bonds (distance) C4'-P energy: -71.950 bonds (distance) P-C4' energy: -73.276 flat angles C4'-P-C4' energy: -96.814 flat angles P-C4'-P energy: -64.493 tors. eta vs tors. theta energy: -128.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1565.363108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.363108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.363108 (E_RNA) where: Base-Base interactions energy: -1120.167 where: short stacking energy: -435.827 Base-Backbone interact. energy: -0.526 local terms energy: -444.669677 where: bonds (distance) C4'-P energy: -67.240 bonds (distance) P-C4' energy: -82.945 flat angles C4'-P-C4' energy: -88.726 flat angles P-C4'-P energy: -69.302 tors. eta vs tors. theta energy: -136.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1538.035529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.035529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.035529 (E_RNA) where: Base-Base interactions energy: -1123.513 where: short stacking energy: -438.789 Base-Backbone interact. energy: -1.001 local terms energy: -413.521225 where: bonds (distance) C4'-P energy: -68.308 bonds (distance) P-C4' energy: -72.792 flat angles C4'-P-C4' energy: -82.756 flat angles P-C4'-P energy: -59.689 tors. eta vs tors. theta energy: -129.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1504.747149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.747149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.747149 (E_RNA) where: Base-Base interactions energy: -1098.860 where: short stacking energy: -425.723 Base-Backbone interact. energy: -1.231 local terms energy: -404.656538 where: bonds (distance) C4'-P energy: -76.094 bonds (distance) P-C4' energy: -61.738 flat angles C4'-P-C4' energy: -83.991 flat angles P-C4'-P energy: -56.304 tors. eta vs tors. theta energy: -126.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1494.855728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.855728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.855728 (E_RNA) where: Base-Base interactions energy: -1099.502 where: short stacking energy: -409.183 Base-Backbone interact. energy: 0.596 local terms energy: -395.949314 where: bonds (distance) C4'-P energy: -63.331 bonds (distance) P-C4' energy: -65.550 flat angles C4'-P-C4' energy: -82.046 flat angles P-C4'-P energy: -58.935 tors. eta vs tors. theta energy: -126.086 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: 451 Temperature: 1.200000 Total energy: -1420.892419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.892419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.892419 (E_RNA) where: Base-Base interactions energy: -1033.566 where: short stacking energy: -399.605 Base-Backbone interact. energy: -1.009 local terms energy: -386.317622 where: bonds (distance) C4'-P energy: -54.959 bonds (distance) P-C4' energy: -62.347 flat angles C4'-P-C4' energy: -93.914 flat angles P-C4'-P energy: -55.885 tors. eta vs tors. theta energy: -119.214 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: 10 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1377.338854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.338854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.338854 (E_RNA) where: Base-Base interactions energy: -1014.118 where: short stacking energy: -386.604 Base-Backbone interact. energy: -0.786 local terms energy: -362.434185 where: bonds (distance) C4'-P energy: -56.365 bonds (distance) P-C4' energy: -48.686 flat angles C4'-P-C4' energy: -76.064 flat angles P-C4'-P energy: -61.084 tors. eta vs tors. theta energy: -120.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1267.969168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.969168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.969168 (E_RNA) where: Base-Base interactions energy: -902.302 where: short stacking energy: -356.601 Base-Backbone interact. energy: 2.315 local terms energy: -367.981488 where: bonds (distance) C4'-P energy: -64.720 bonds (distance) P-C4' energy: -75.948 flat angles C4'-P-C4' energy: -72.477 flat angles P-C4'-P energy: -46.643 tors. eta vs tors. theta energy: -108.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -1194.853350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.853350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.853350 (E_RNA) where: Base-Base interactions energy: -873.050 where: short stacking energy: -347.317 Base-Backbone interact. energy: -0.632 local terms energy: -321.170970 where: bonds (distance) C4'-P energy: -53.681 bonds (distance) P-C4' energy: -64.064 flat angles C4'-P-C4' energy: -72.010 flat angles P-C4'-P energy: -39.598 tors. eta vs tors. theta energy: -91.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1724.727300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.727300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.727300 (E_RNA) where: Base-Base interactions energy: -1267.335 where: short stacking energy: -491.713 Base-Backbone interact. energy: -0.198 local terms energy: -457.194903 where: bonds (distance) C4'-P energy: -74.556 bonds (distance) P-C4' energy: -76.458 flat angles C4'-P-C4' energy: -92.013 flat angles P-C4'-P energy: -65.388 tors. eta vs tors. theta energy: -148.779 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: 2, replica: 3 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1608.755869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.755869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.755869 (E_RNA) where: Base-Base interactions energy: -1175.604 where: short stacking energy: -455.935 Base-Backbone interact. energy: -0.409 local terms energy: -432.742688 where: bonds (distance) C4'-P energy: -82.613 bonds (distance) P-C4' energy: -73.901 flat angles C4'-P-C4' energy: -85.733 flat angles P-C4'-P energy: -52.300 tors. eta vs tors. theta energy: -138.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1583.643127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.643127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.643127 (E_RNA) where: Base-Base interactions energy: -1153.776 where: short stacking energy: -440.588 Base-Backbone interact. energy: 2.012 local terms energy: -431.879490 where: bonds (distance) C4'-P energy: -82.471 bonds (distance) P-C4' energy: -69.512 flat angles C4'-P-C4' energy: -94.017 flat angles P-C4'-P energy: -56.763 tors. eta vs tors. theta energy: -129.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1554.627240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.627240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.627240 (E_RNA) where: Base-Base interactions energy: -1132.796 where: short stacking energy: -447.855 Base-Backbone interact. energy: -0.172 local terms energy: -421.659081 where: bonds (distance) C4'-P energy: -64.890 bonds (distance) P-C4' energy: -71.980 flat angles C4'-P-C4' energy: -89.934 flat angles P-C4'-P energy: -57.323 tors. eta vs tors. theta energy: -137.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1492.279167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.279167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.279167 (E_RNA) where: Base-Base interactions energy: -1107.295 where: short stacking energy: -413.452 Base-Backbone interact. energy: -1.333 local terms energy: -383.651468 where: bonds (distance) C4'-P energy: -66.237 bonds (distance) P-C4' energy: -58.968 flat angles C4'-P-C4' energy: -88.128 flat angles P-C4'-P energy: -51.821 tors. eta vs tors. theta energy: -118.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1491.271456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.271456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.271456 (E_RNA) where: Base-Base interactions energy: -1077.658 where: short stacking energy: -427.625 Base-Backbone interact. energy: 0.449 local terms energy: -414.062609 where: bonds (distance) C4'-P energy: -65.914 bonds (distance) P-C4' energy: -80.366 flat angles C4'-P-C4' energy: -84.814 flat angles P-C4'-P energy: -53.408 tors. eta vs tors. theta energy: -129.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1404.977037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.977037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.977037 (E_RNA) where: Base-Base interactions energy: -1011.366 where: short stacking energy: -398.516 Base-Backbone interact. energy: -0.478 local terms energy: -393.132865 where: bonds (distance) C4'-P energy: -71.809 bonds (distance) P-C4' energy: -67.740 flat angles C4'-P-C4' energy: -84.266 flat angles P-C4'-P energy: -46.550 tors. eta vs tors. theta energy: -122.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1383.657763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.657763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.657763 (E_RNA) where: Base-Base interactions energy: -1022.448 where: short stacking energy: -392.664 Base-Backbone interact. energy: -1.368 local terms energy: -359.842462 where: bonds (distance) C4'-P energy: -58.975 bonds (distance) P-C4' energy: -47.662 flat angles C4'-P-C4' energy: -78.954 flat angles P-C4'-P energy: -56.689 tors. eta vs tors. theta energy: -117.562 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: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1227.665268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.665268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.665268 (E_RNA) where: Base-Base interactions energy: -890.783 where: short stacking energy: -338.943 Base-Backbone interact. energy: 3.686 local terms energy: -340.568312 where: bonds (distance) C4'-P energy: -59.166 bonds (distance) P-C4' energy: -55.102 flat angles C4'-P-C4' energy: -82.052 flat angles P-C4'-P energy: -42.637 tors. eta vs tors. theta energy: -101.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -1199.184699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.184699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.184699 (E_RNA) where: Base-Base interactions energy: -874.030 where: short stacking energy: -335.595 Base-Backbone interact. energy: 0.303 local terms energy: -325.457758 where: bonds (distance) C4'-P energy: -45.111 bonds (distance) P-C4' energy: -57.100 flat angles C4'-P-C4' energy: -79.155 flat angles P-C4'-P energy: -46.302 tors. eta vs tors. theta energy: -97.790 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: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1717.772790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.772790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.772790 (E_RNA) where: Base-Base interactions energy: -1244.722 where: short stacking energy: -486.763 Base-Backbone interact. energy: -0.192 local terms energy: -472.858807 where: bonds (distance) C4'-P energy: -73.925 bonds (distance) P-C4' energy: -81.677 flat angles C4'-P-C4' energy: -94.841 flat angles P-C4'-P energy: -70.560 tors. eta vs tors. theta energy: -151.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1587.571586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.571586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.571586 (E_RNA) where: Base-Base interactions energy: -1169.493 where: short stacking energy: -452.564 Base-Backbone interact. energy: -0.842 local terms energy: -417.236763 where: bonds (distance) C4'-P energy: -62.105 bonds (distance) P-C4' energy: -72.481 flat angles C4'-P-C4' energy: -88.894 flat angles P-C4'-P energy: -60.197 tors. eta vs tors. theta energy: -133.560 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: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1579.146881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.146881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.146881 (E_RNA) where: Base-Base interactions energy: -1157.240 where: short stacking energy: -439.492 Base-Backbone interact. energy: -0.777 local terms energy: -421.129697 where: bonds (distance) C4'-P energy: -68.373 bonds (distance) P-C4' energy: -75.663 flat angles C4'-P-C4' energy: -83.369 flat angles P-C4'-P energy: -61.617 tors. eta vs tors. theta energy: -132.108 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: 2 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1538.643478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.643478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.643478 (E_RNA) where: Base-Base interactions energy: -1116.939 where: short stacking energy: -441.656 Base-Backbone interact. energy: 1.274 local terms energy: -422.979005 where: bonds (distance) C4'-P energy: -73.041 bonds (distance) P-C4' energy: -74.360 flat angles C4'-P-C4' energy: -78.757 flat angles P-C4'-P energy: -58.883 tors. eta vs tors. theta energy: -137.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1493.431384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.431384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.431384 (E_RNA) where: Base-Base interactions energy: -1092.547 where: short stacking energy: -416.267 Base-Backbone interact. energy: -0.449 local terms energy: -400.436161 where: bonds (distance) C4'-P energy: -59.524 bonds (distance) P-C4' energy: -64.623 flat angles C4'-P-C4' energy: -91.295 flat angles P-C4'-P energy: -61.341 tors. eta vs tors. theta energy: -123.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1466.339346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.339346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.339346 (E_RNA) where: Base-Base interactions energy: -1072.059 where: short stacking energy: -416.722 Base-Backbone interact. energy: -0.217 local terms energy: -394.063174 where: bonds (distance) C4'-P energy: -69.568 bonds (distance) P-C4' energy: -63.754 flat angles C4'-P-C4' energy: -76.980 flat angles P-C4'-P energy: -57.814 tors. eta vs tors. theta energy: -125.947 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: 7, replica: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1409.511695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.511695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.511695 (E_RNA) where: Base-Base interactions energy: -1037.540 where: short stacking energy: -395.911 Base-Backbone interact. energy: -1.634 local terms energy: -370.338361 where: bonds (distance) C4'-P energy: -57.966 bonds (distance) P-C4' energy: -62.107 flat angles C4'-P-C4' energy: -79.460 flat angles P-C4'-P energy: -48.277 tors. eta vs tors. theta energy: -122.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1394.618857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.618857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.618857 (E_RNA) where: Base-Base interactions energy: -1014.824 where: short stacking energy: -393.766 Base-Backbone interact. energy: -0.373 local terms energy: -379.421880 where: bonds (distance) C4'-P energy: -65.202 bonds (distance) P-C4' energy: -62.288 flat angles C4'-P-C4' energy: -73.802 flat angles P-C4'-P energy: -58.754 tors. eta vs tors. theta energy: -119.375 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: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1232.124210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.124210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.124210 (E_RNA) where: Base-Base interactions energy: -899.889 where: short stacking energy: -340.510 Base-Backbone interact. energy: -0.769 local terms energy: -331.465496 where: bonds (distance) C4'-P energy: -56.209 bonds (distance) P-C4' energy: -53.111 flat angles C4'-P-C4' energy: -74.923 flat angles P-C4'-P energy: -46.336 tors. eta vs tors. theta energy: -100.886 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: 10, replica: 4 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -1208.485267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.485267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.485267 (E_RNA) where: Base-Base interactions energy: -873.697 where: short stacking energy: -331.507 Base-Backbone interact. energy: 0.536 local terms energy: -335.325095 where: bonds (distance) C4'-P energy: -52.298 bonds (distance) P-C4' energy: -49.416 flat angles C4'-P-C4' energy: -75.885 flat angles P-C4'-P energy: -59.126 tors. eta vs tors. theta energy: -98.600 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: 5 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1707.906410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.906410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.906410 (E_RNA) where: Base-Base interactions energy: -1249.073 where: short stacking energy: -485.715 Base-Backbone interact. energy: -0.005 local terms energy: -458.828228 where: bonds (distance) C4'-P energy: -76.651 bonds (distance) P-C4' energy: -64.794 flat angles C4'-P-C4' energy: -98.510 flat angles P-C4'-P energy: -75.025 tors. eta vs tors. theta energy: -143.849 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: 2, replica: 6 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1592.741816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.741816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.741816 (E_RNA) where: Base-Base interactions energy: -1162.928 where: short stacking energy: -456.719 Base-Backbone interact. energy: -1.250 local terms energy: -428.564436 where: bonds (distance) C4'-P energy: -74.670 bonds (distance) P-C4' energy: -73.259 flat angles C4'-P-C4' energy: -87.014 flat angles P-C4'-P energy: -62.375 tors. eta vs tors. theta energy: -131.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1583.916732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.916732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.916732 (E_RNA) where: Base-Base interactions energy: -1160.559 where: short stacking energy: -459.647 Base-Backbone interact. energy: -0.380 local terms energy: -422.977197 where: bonds (distance) C4'-P energy: -56.381 bonds (distance) P-C4' energy: -77.117 flat angles C4'-P-C4' energy: -85.391 flat angles P-C4'-P energy: -64.565 tors. eta vs tors. theta energy: -139.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1556.608426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.608426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.608426 (E_RNA) where: Base-Base interactions energy: -1130.262 where: short stacking energy: -415.982 Base-Backbone interact. energy: -0.719 local terms energy: -425.627379 where: bonds (distance) C4'-P energy: -63.215 bonds (distance) P-C4' energy: -83.308 flat angles C4'-P-C4' energy: -89.894 flat angles P-C4'-P energy: -62.723 tors. eta vs tors. theta energy: -126.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1492.092404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.092404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.092404 (E_RNA) where: Base-Base interactions energy: -1089.015 where: short stacking energy: -427.961 Base-Backbone interact. energy: 2.826 local terms energy: -405.903521 where: bonds (distance) C4'-P energy: -56.102 bonds (distance) P-C4' energy: -72.489 flat angles C4'-P-C4' energy: -94.554 flat angles P-C4'-P energy: -58.193 tors. eta vs tors. theta energy: -124.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1500.960373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.960373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.960373 (E_RNA) where: Base-Base interactions energy: -1124.929 where: short stacking energy: -439.180 Base-Backbone interact. energy: -0.403 local terms energy: -375.628281 where: bonds (distance) C4'-P energy: -63.931 bonds (distance) P-C4' energy: -51.820 flat angles C4'-P-C4' energy: -77.617 flat angles P-C4'-P energy: -57.313 tors. eta vs tors. theta energy: -124.947 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: 7, replica: 10 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1449.235406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.235406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.235406 (E_RNA) where: Base-Base interactions energy: -1039.510 where: short stacking energy: -423.679 Base-Backbone interact. energy: -0.554 local terms energy: -409.171851 where: bonds (distance) C4'-P energy: -68.522 bonds (distance) P-C4' energy: -64.239 flat angles C4'-P-C4' energy: -88.943 flat angles P-C4'-P energy: -53.367 tors. eta vs tors. theta energy: -134.102 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: 8, replica: 9 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1377.048816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.048816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.048816 (E_RNA) where: Base-Base interactions energy: -1011.915 where: short stacking energy: -394.680 Base-Backbone interact. energy: 3.380 local terms energy: -368.514091 where: bonds (distance) C4'-P energy: -54.488 bonds (distance) P-C4' energy: -55.389 flat angles C4'-P-C4' energy: -83.203 flat angles P-C4'-P energy: -58.999 tors. eta vs tors. theta energy: -116.435 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: 454 Temperature: 1.300000 Total energy: -1256.653293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.653293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.653293 (E_RNA) where: Base-Base interactions energy: -910.799 where: short stacking energy: -371.720 Base-Backbone interact. energy: -1.043 local terms energy: -344.810634 where: bonds (distance) C4'-P energy: -55.403 bonds (distance) P-C4' energy: -51.389 flat angles C4'-P-C4' energy: -77.037 flat angles P-C4'-P energy: -54.817 tors. eta vs tors. theta energy: -106.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -1208.775860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.775860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.775860 (E_RNA) where: Base-Base interactions energy: -849.834 where: short stacking energy: -334.219 Base-Backbone interact. energy: 4.316 local terms energy: -363.257526 where: bonds (distance) C4'-P energy: -66.432 bonds (distance) P-C4' energy: -71.658 flat angles C4'-P-C4' energy: -66.858 flat angles P-C4'-P energy: -55.335 tors. eta vs tors. theta energy: -102.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1714.465427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.465427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.465427 (E_RNA) where: Base-Base interactions energy: -1241.111 where: short stacking energy: -492.801 Base-Backbone interact. energy: -0.013 local terms energy: -473.340584 where: bonds (distance) C4'-P energy: -75.024 bonds (distance) P-C4' energy: -78.881 flat angles C4'-P-C4' energy: -97.256 flat angles P-C4'-P energy: -68.617 tors. eta vs tors. theta energy: -153.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1582.762105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.762105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.762105 (E_RNA) where: Base-Base interactions energy: -1146.312 where: short stacking energy: -446.597 Base-Backbone interact. energy: 0.203 local terms energy: -436.652999 where: bonds (distance) C4'-P energy: -69.539 bonds (distance) P-C4' energy: -71.317 flat angles C4'-P-C4' energy: -91.736 flat angles P-C4'-P energy: -65.155 tors. eta vs tors. theta energy: -138.907 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: 3, replica: 6 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1568.676812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.676812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.676812 (E_RNA) where: Base-Base interactions energy: -1140.285 where: short stacking energy: -445.896 Base-Backbone interact. energy: -0.123 local terms energy: -428.269028 where: bonds (distance) C4'-P energy: -70.579 bonds (distance) P-C4' energy: -71.632 flat angles C4'-P-C4' energy: -92.695 flat angles P-C4'-P energy: -63.319 tors. eta vs tors. theta energy: -130.044 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: 455 Temperature: 1.050000 Total energy: -1540.342111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.342111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.342111 (E_RNA) where: Base-Base interactions energy: -1122.523 where: short stacking energy: -426.759 Base-Backbone interact. energy: -1.678 local terms energy: -416.140840 where: bonds (distance) C4'-P energy: -73.601 bonds (distance) P-C4' energy: -74.446 flat angles C4'-P-C4' energy: -87.061 flat angles P-C4'-P energy: -49.770 tors. eta vs tors. theta energy: -131.263 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: 1 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1507.614224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.614224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.614224 (E_RNA) where: Base-Base interactions energy: -1109.388 where: short stacking energy: -419.812 Base-Backbone interact. energy: 0.147 local terms energy: -398.373233 where: bonds (distance) C4'-P energy: -59.049 bonds (distance) P-C4' energy: -68.963 flat angles C4'-P-C4' energy: -90.167 flat angles P-C4'-P energy: -52.300 tors. eta vs tors. theta energy: -127.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1467.466902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.466902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.466902 (E_RNA) where: Base-Base interactions energy: -1069.378 where: short stacking energy: -420.556 Base-Backbone interact. energy: -0.511 local terms energy: -397.578027 where: bonds (distance) C4'-P energy: -50.405 bonds (distance) P-C4' energy: -66.344 flat angles C4'-P-C4' energy: -84.331 flat angles P-C4'-P energy: -63.658 tors. eta vs tors. theta energy: -132.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1454.545450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.545450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.545450 (E_RNA) where: Base-Base interactions energy: -1054.381 where: short stacking energy: -410.379 Base-Backbone interact. energy: -0.537 local terms energy: -399.627894 where: bonds (distance) C4'-P energy: -73.582 bonds (distance) P-C4' energy: -62.830 flat angles C4'-P-C4' energy: -81.383 flat angles P-C4'-P energy: -61.257 tors. eta vs tors. theta energy: -120.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1358.837481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.837481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.837481 (E_RNA) where: Base-Base interactions energy: -995.436 where: short stacking energy: -383.772 Base-Backbone interact. energy: -0.253 local terms energy: -363.148676 where: bonds (distance) C4'-P energy: -58.347 bonds (distance) P-C4' energy: -62.281 flat angles C4'-P-C4' energy: -80.526 flat angles P-C4'-P energy: -51.080 tors. eta vs tors. theta energy: -110.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1222.383525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.383525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.383525 (E_RNA) where: Base-Base interactions energy: -902.440 where: short stacking energy: -354.844 Base-Backbone interact. energy: -0.362 local terms energy: -319.580856 where: bonds (distance) C4'-P energy: -52.002 bonds (distance) P-C4' energy: -53.306 flat angles C4'-P-C4' energy: -65.486 flat angles P-C4'-P energy: -49.525 tors. eta vs tors. theta energy: -99.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -1257.018777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.018777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.018777 (E_RNA) where: Base-Base interactions energy: -901.799 where: short stacking energy: -368.083 Base-Backbone interact. energy: -0.274 local terms energy: -354.946403 where: bonds (distance) C4'-P energy: -61.550 bonds (distance) P-C4' energy: -59.380 flat angles C4'-P-C4' energy: -84.511 flat angles P-C4'-P energy: -45.331 tors. eta vs tors. theta energy: -104.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1716.233342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.233342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.233342 (E_RNA) where: Base-Base interactions energy: -1241.245 where: short stacking energy: -474.332 Base-Backbone interact. energy: -0.759 local terms energy: -474.228964 where: bonds (distance) C4'-P energy: -76.476 bonds (distance) P-C4' energy: -79.985 flat angles C4'-P-C4' energy: -97.010 flat angles P-C4'-P energy: -71.773 tors. eta vs tors. theta energy: -148.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1583.960703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.960703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.960703 (E_RNA) where: Base-Base interactions energy: -1142.650 where: short stacking energy: -442.652 Base-Backbone interact. energy: 0.084 local terms energy: -441.394084 where: bonds (distance) C4'-P energy: -76.159 bonds (distance) P-C4' energy: -73.754 flat angles C4'-P-C4' energy: -91.351 flat angles P-C4'-P energy: -67.001 tors. eta vs tors. theta energy: -133.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1559.098077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.098077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.098077 (E_RNA) where: Base-Base interactions energy: -1128.865 where: short stacking energy: -451.134 Base-Backbone interact. energy: -0.814 local terms energy: -429.418868 where: bonds (distance) C4'-P energy: -77.872 bonds (distance) P-C4' energy: -66.792 flat angles C4'-P-C4' energy: -92.666 flat angles P-C4'-P energy: -62.542 tors. eta vs tors. theta energy: -129.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1529.935258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.935258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.935258 (E_RNA) where: Base-Base interactions energy: -1115.323 where: short stacking energy: -430.527 Base-Backbone interact. energy: -0.283 local terms energy: -414.329503 where: bonds (distance) C4'-P energy: -77.395 bonds (distance) P-C4' energy: -66.054 flat angles C4'-P-C4' energy: -87.727 flat angles P-C4'-P energy: -58.908 tors. eta vs tors. theta energy: -124.245 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: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1490.674245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.674245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.674245 (E_RNA) where: Base-Base interactions energy: -1068.251 where: short stacking energy: -417.443 Base-Backbone interact. energy: -0.728 local terms energy: -421.694744 where: bonds (distance) C4'-P energy: -70.835 bonds (distance) P-C4' energy: -73.238 flat angles C4'-P-C4' energy: -87.745 flat angles P-C4'-P energy: -55.595 tors. eta vs tors. theta energy: -134.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1465.013668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.013668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.013668 (E_RNA) where: Base-Base interactions energy: -1045.034 where: short stacking energy: -422.797 Base-Backbone interact. energy: 0.352 local terms energy: -420.331650 where: bonds (distance) C4'-P energy: -79.796 bonds (distance) P-C4' energy: -65.551 flat angles C4'-P-C4' energy: -84.220 flat angles P-C4'-P energy: -61.991 tors. eta vs tors. theta energy: -128.773 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: 7 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1457.367185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.367185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.367185 (E_RNA) where: Base-Base interactions energy: -1060.629 where: short stacking energy: -394.278 Base-Backbone interact. energy: -0.668 local terms energy: -396.070804 where: bonds (distance) C4'-P energy: -69.748 bonds (distance) P-C4' energy: -70.026 flat angles C4'-P-C4' energy: -84.623 flat angles P-C4'-P energy: -58.101 tors. eta vs tors. theta energy: -113.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1366.012645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.012645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.012645 (E_RNA) where: Base-Base interactions energy: -1006.422 where: short stacking energy: -402.791 Base-Backbone interact. energy: -0.863 local terms energy: -358.727217 where: bonds (distance) C4'-P energy: -54.582 bonds (distance) P-C4' energy: -57.584 flat angles C4'-P-C4' energy: -76.923 flat angles P-C4'-P energy: -50.568 tors. eta vs tors. theta energy: -119.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1242.724333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.724333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.724333 (E_RNA) where: Base-Base interactions energy: -914.883 where: short stacking energy: -352.413 Base-Backbone interact. energy: 1.072 local terms energy: -328.913617 where: bonds (distance) C4'-P energy: -51.610 bonds (distance) P-C4' energy: -54.638 flat angles C4'-P-C4' energy: -66.500 flat angles P-C4'-P energy: -52.182 tors. eta vs tors. theta energy: -103.984 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: 10, replica: 8 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1211.109614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.109614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.109614 (E_RNA) where: Base-Base interactions energy: -851.454 where: short stacking energy: -334.252 Base-Backbone interact. energy: -0.208 local terms energy: -359.447231 where: bonds (distance) C4'-P energy: -61.168 bonds (distance) P-C4' energy: -79.834 flat angles C4'-P-C4' energy: -79.952 flat angles P-C4'-P energy: -37.616 tors. eta vs tors. theta energy: -100.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1718.183190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.183190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.183190 (E_RNA) where: Base-Base interactions energy: -1263.306 where: short stacking energy: -497.679 Base-Backbone interact. energy: -0.005 local terms energy: -454.871848 where: bonds (distance) C4'-P energy: -66.481 bonds (distance) P-C4' energy: -72.539 flat angles C4'-P-C4' energy: -91.724 flat angles P-C4'-P energy: -74.480 tors. eta vs tors. theta energy: -149.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1585.953028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.953028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.953028 (E_RNA) where: Base-Base interactions energy: -1150.915 where: short stacking energy: -444.816 Base-Backbone interact. energy: -0.842 local terms energy: -434.196124 where: bonds (distance) C4'-P energy: -71.925 bonds (distance) P-C4' energy: -80.840 flat angles C4'-P-C4' energy: -93.404 flat angles P-C4'-P energy: -59.554 tors. eta vs tors. theta energy: -128.473 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: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1565.373679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.373679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.373679 (E_RNA) where: Base-Base interactions energy: -1128.036 where: short stacking energy: -436.719 Base-Backbone interact. energy: -0.531 local terms energy: -436.807156 where: bonds (distance) C4'-P energy: -73.010 bonds (distance) P-C4' energy: -74.671 flat angles C4'-P-C4' energy: -87.508 flat angles P-C4'-P energy: -63.590 tors. eta vs tors. theta energy: -138.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1535.978991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.978991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.978991 (E_RNA) where: Base-Base interactions energy: -1131.051 where: short stacking energy: -440.894 Base-Backbone interact. energy: -1.416 local terms energy: -403.512095 where: bonds (distance) C4'-P energy: -73.712 bonds (distance) P-C4' energy: -48.930 flat angles C4'-P-C4' energy: -84.484 flat angles P-C4'-P energy: -63.113 tors. eta vs tors. theta energy: -133.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1469.790655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.790655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.790655 (E_RNA) where: Base-Base interactions energy: -1083.875 where: short stacking energy: -429.289 Base-Backbone interact. energy: -0.233 local terms energy: -385.682204 where: bonds (distance) C4'-P energy: -69.730 bonds (distance) P-C4' energy: -58.289 flat angles C4'-P-C4' energy: -80.551 flat angles P-C4'-P energy: -55.483 tors. eta vs tors. theta energy: -121.630 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: 10 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1449.372235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.372235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.372235 (E_RNA) where: Base-Base interactions energy: -1042.747 where: short stacking energy: -413.426 Base-Backbone interact. energy: -0.990 local terms energy: -405.635731 where: bonds (distance) C4'-P energy: -63.536 bonds (distance) P-C4' energy: -78.439 flat angles C4'-P-C4' energy: -72.066 flat angles P-C4'-P energy: -54.775 tors. eta vs tors. theta energy: -136.820 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: 7 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1434.655957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.655957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.655957 (E_RNA) where: Base-Base interactions energy: -1052.582 where: short stacking energy: -382.809 Base-Backbone interact. energy: -2.319 local terms energy: -379.754942 where: bonds (distance) C4'-P energy: -54.599 bonds (distance) P-C4' energy: -63.605 flat angles C4'-P-C4' energy: -87.255 flat angles P-C4'-P energy: -62.158 tors. eta vs tors. theta energy: -112.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1392.943105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.943105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.943105 (E_RNA) where: Base-Base interactions energy: -1011.700 where: short stacking energy: -406.047 Base-Backbone interact. energy: 0.488 local terms energy: -381.731204 where: bonds (distance) C4'-P energy: -61.826 bonds (distance) P-C4' energy: -60.614 flat angles C4'-P-C4' energy: -76.840 flat angles P-C4'-P energy: -57.825 tors. eta vs tors. theta energy: -124.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1231.337117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.337117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.337117 (E_RNA) where: Base-Base interactions energy: -865.889 where: short stacking energy: -323.845 Base-Backbone interact. energy: -0.943 local terms energy: -364.504729 where: bonds (distance) C4'-P energy: -73.027 bonds (distance) P-C4' energy: -71.956 flat angles C4'-P-C4' energy: -78.534 flat angles P-C4'-P energy: -45.536 tors. eta vs tors. theta energy: -95.451 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: 8 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1235.045925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.045925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.045925 (E_RNA) where: Base-Base interactions energy: -896.270 where: short stacking energy: -352.011 Base-Backbone interact. energy: -0.654 local terms energy: -338.122039 where: bonds (distance) C4'-P energy: -66.956 bonds (distance) P-C4' energy: -62.049 flat angles C4'-P-C4' energy: -73.479 flat angles P-C4'-P energy: -44.413 tors. eta vs tors. theta energy: -91.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1712.819216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.819216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.819216 (E_RNA) where: Base-Base interactions energy: -1232.400 where: short stacking energy: -487.766 Base-Backbone interact. energy: 0.742 local terms energy: -481.160714 where: bonds (distance) C4'-P energy: -72.397 bonds (distance) P-C4' energy: -80.309 flat angles C4'-P-C4' energy: -101.390 flat angles P-C4'-P energy: -77.683 tors. eta vs tors. theta energy: -149.382 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: 6 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1596.932540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.932540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.932540 (E_RNA) where: Base-Base interactions energy: -1161.961 where: short stacking energy: -446.297 Base-Backbone interact. energy: -1.726 local terms energy: -433.245419 where: bonds (distance) C4'-P energy: -74.613 bonds (distance) P-C4' energy: -75.758 flat angles C4'-P-C4' energy: -86.586 flat angles P-C4'-P energy: -61.680 tors. eta vs tors. theta energy: -134.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1553.698129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.698129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.698129 (E_RNA) where: Base-Base interactions energy: -1133.209 where: short stacking energy: -440.436 Base-Backbone interact. energy: -1.429 local terms energy: -419.060425 where: bonds (distance) C4'-P energy: -77.736 bonds (distance) P-C4' energy: -74.351 flat angles C4'-P-C4' energy: -79.848 flat angles P-C4'-P energy: -57.404 tors. eta vs tors. theta energy: -129.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1540.889382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.889382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.889382 (E_RNA) where: Base-Base interactions energy: -1113.642 where: short stacking energy: -445.996 Base-Backbone interact. energy: -0.114 local terms energy: -427.133662 where: bonds (distance) C4'-P energy: -68.788 bonds (distance) P-C4' energy: -76.719 flat angles C4'-P-C4' energy: -86.753 flat angles P-C4'-P energy: -65.847 tors. eta vs tors. theta energy: -129.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1491.318336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.318336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.318336 (E_RNA) where: Base-Base interactions energy: -1092.582 where: short stacking energy: -422.588 Base-Backbone interact. energy: 0.335 local terms energy: -399.071439 where: bonds (distance) C4'-P energy: -65.382 bonds (distance) P-C4' energy: -58.007 flat angles C4'-P-C4' energy: -81.359 flat angles P-C4'-P energy: -68.194 tors. eta vs tors. theta energy: -126.129 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: 10 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1482.506221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.506221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.506221 (E_RNA) where: Base-Base interactions energy: -1083.784 where: short stacking energy: -422.753 Base-Backbone interact. energy: -0.441 local terms energy: -398.281450 where: bonds (distance) C4'-P energy: -52.937 bonds (distance) P-C4' energy: -75.996 flat angles C4'-P-C4' energy: -83.286 flat angles P-C4'-P energy: -56.865 tors. eta vs tors. theta energy: -129.197 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: 7, replica: 9 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1446.323093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.323093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.323093 (E_RNA) where: Base-Base interactions energy: -1032.680 where: short stacking energy: -396.589 Base-Backbone interact. energy: 0.258 local terms energy: -413.901735 where: bonds (distance) C4'-P energy: -70.310 bonds (distance) P-C4' energy: -70.128 flat angles C4'-P-C4' energy: -86.002 flat angles P-C4'-P energy: -63.439 tors. eta vs tors. theta energy: -124.023 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: 7 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1395.270141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.270141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.270141 (E_RNA) where: Base-Base interactions energy: -1028.879 where: short stacking energy: -388.088 Base-Backbone interact. energy: -1.265 local terms energy: -365.126084 where: bonds (distance) C4'-P energy: -68.986 bonds (distance) P-C4' energy: -73.223 flat angles C4'-P-C4' energy: -71.921 flat angles P-C4'-P energy: -42.007 tors. eta vs tors. theta energy: -108.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1235.147729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.147729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.147729 (E_RNA) where: Base-Base interactions energy: -886.056 where: short stacking energy: -349.895 Base-Backbone interact. energy: -1.303 local terms energy: -347.789084 where: bonds (distance) C4'-P energy: -46.477 bonds (distance) P-C4' energy: -64.097 flat angles C4'-P-C4' energy: -77.048 flat angles P-C4'-P energy: -56.119 tors. eta vs tors. theta energy: -104.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -1193.790695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.790695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.790695 (E_RNA) where: Base-Base interactions energy: -840.636 where: short stacking energy: -336.519 Base-Backbone interact. energy: -0.111 local terms energy: -353.043361 where: bonds (distance) C4'-P energy: -73.494 bonds (distance) P-C4' energy: -59.689 flat angles C4'-P-C4' energy: -76.621 flat angles P-C4'-P energy: -46.661 tors. eta vs tors. theta energy: -96.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1702.544594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.544594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.544594 (E_RNA) where: Base-Base interactions energy: -1253.088 where: short stacking energy: -488.213 Base-Backbone interact. energy: -0.599 local terms energy: -448.857654 where: bonds (distance) C4'-P energy: -68.846 bonds (distance) P-C4' energy: -72.472 flat angles C4'-P-C4' energy: -92.686 flat angles P-C4'-P energy: -65.359 tors. eta vs tors. theta energy: -149.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1612.544327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.544327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.544327 (E_RNA) where: Base-Base interactions energy: -1166.803 where: short stacking energy: -449.651 Base-Backbone interact. energy: 0.066 local terms energy: -445.807402 where: bonds (distance) C4'-P energy: -74.117 bonds (distance) P-C4' energy: -77.639 flat angles C4'-P-C4' energy: -95.540 flat angles P-C4'-P energy: -66.094 tors. eta vs tors. theta energy: -132.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1554.150475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.150475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.150475 (E_RNA) where: Base-Base interactions energy: -1152.898 where: short stacking energy: -436.478 Base-Backbone interact. energy: -1.608 local terms energy: -399.644174 where: bonds (distance) C4'-P energy: -61.941 bonds (distance) P-C4' energy: -66.208 flat angles C4'-P-C4' energy: -84.096 flat angles P-C4'-P energy: -60.044 tors. eta vs tors. theta energy: -127.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1548.173806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.173806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.173806 (E_RNA) where: Base-Base interactions energy: -1121.941 where: short stacking energy: -443.054 Base-Backbone interact. energy: -0.088 local terms energy: -426.145130 where: bonds (distance) C4'-P energy: -72.974 bonds (distance) P-C4' energy: -68.647 flat angles C4'-P-C4' energy: -94.748 flat angles P-C4'-P energy: -58.110 tors. eta vs tors. theta energy: -131.667 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: 5, replica: 1 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1478.943437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.943437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.943437 (E_RNA) where: Base-Base interactions energy: -1081.282 where: short stacking energy: -404.324 Base-Backbone interact. energy: 1.613 local terms energy: -399.274396 where: bonds (distance) C4'-P energy: -74.494 bonds (distance) P-C4' energy: -54.932 flat angles C4'-P-C4' energy: -80.320 flat angles P-C4'-P energy: -59.926 tors. eta vs tors. theta energy: -129.601 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: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1477.851169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.851169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.851169 (E_RNA) where: Base-Base interactions energy: -1058.439 where: short stacking energy: -422.159 Base-Backbone interact. energy: -0.400 local terms energy: -419.012737 where: bonds (distance) C4'-P energy: -65.561 bonds (distance) P-C4' energy: -67.539 flat angles C4'-P-C4' energy: -86.122 flat angles P-C4'-P energy: -60.875 tors. eta vs tors. theta energy: -138.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1410.968790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.968790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.968790 (E_RNA) where: Base-Base interactions energy: -1018.741 where: short stacking energy: -400.112 Base-Backbone interact. energy: -0.825 local terms energy: -391.403544 where: bonds (distance) C4'-P energy: -73.359 bonds (distance) P-C4' energy: -57.294 flat angles C4'-P-C4' energy: -85.738 flat angles P-C4'-P energy: -55.355 tors. eta vs tors. theta energy: -119.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1434.953272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.953272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.953272 (E_RNA) where: Base-Base interactions energy: -1086.671 where: short stacking energy: -397.004 Base-Backbone interact. energy: 1.358 local terms energy: -349.639775 where: bonds (distance) C4'-P energy: -56.458 bonds (distance) P-C4' energy: -57.867 flat angles C4'-P-C4' energy: -70.455 flat angles P-C4'-P energy: -54.411 tors. eta vs tors. theta energy: -110.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1287.754711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.754711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.754711 (E_RNA) where: Base-Base interactions energy: -927.013 where: short stacking energy: -361.966 Base-Backbone interact. energy: -0.451 local terms energy: -360.290729 where: bonds (distance) C4'-P energy: -61.247 bonds (distance) P-C4' energy: -65.238 flat angles C4'-P-C4' energy: -72.998 flat angles P-C4'-P energy: -48.684 tors. eta vs tors. theta energy: -112.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -1223.209883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.209883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.209883 (E_RNA) where: Base-Base interactions energy: -892.247 where: short stacking energy: -351.992 Base-Backbone interact. energy: 1.083 local terms energy: -332.046116 where: bonds (distance) C4'-P energy: -54.506 bonds (distance) P-C4' energy: -57.794 flat angles C4'-P-C4' energy: -73.637 flat angles P-C4'-P energy: -40.190 tors. eta vs tors. theta energy: -105.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1719.566700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.566700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.566700 (E_RNA) where: Base-Base interactions energy: -1255.873 where: short stacking energy: -487.277 Base-Backbone interact. energy: -0.435 local terms energy: -463.259024 where: bonds (distance) C4'-P energy: -76.818 bonds (distance) P-C4' energy: -74.966 flat angles C4'-P-C4' energy: -91.785 flat angles P-C4'-P energy: -73.934 tors. eta vs tors. theta energy: -145.757 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: 6 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1592.738808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.738808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.738808 (E_RNA) where: Base-Base interactions energy: -1167.667 where: short stacking energy: -452.335 Base-Backbone interact. energy: 3.068 local terms energy: -428.139079 where: bonds (distance) C4'-P energy: -70.831 bonds (distance) P-C4' energy: -72.334 flat angles C4'-P-C4' energy: -91.681 flat angles P-C4'-P energy: -63.639 tors. eta vs tors. theta energy: -129.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1574.581441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.581441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.581441 (E_RNA) where: Base-Base interactions energy: -1155.831 where: short stacking energy: -449.460 Base-Backbone interact. energy: -1.123 local terms energy: -417.626760 where: bonds (distance) C4'-P energy: -62.986 bonds (distance) P-C4' energy: -76.298 flat angles C4'-P-C4' energy: -91.186 flat angles P-C4'-P energy: -56.705 tors. eta vs tors. theta energy: -130.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1539.127981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.127981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.127981 (E_RNA) where: Base-Base interactions energy: -1114.692 where: short stacking energy: -442.584 Base-Backbone interact. energy: -0.495 local terms energy: -423.940228 where: bonds (distance) C4'-P energy: -73.796 bonds (distance) P-C4' energy: -71.729 flat angles C4'-P-C4' energy: -83.369 flat angles P-C4'-P energy: -61.041 tors. eta vs tors. theta energy: -134.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1485.277644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.277644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.277644 (E_RNA) where: Base-Base interactions energy: -1099.285 where: short stacking energy: -434.382 Base-Backbone interact. energy: -0.166 local terms energy: -385.826168 where: bonds (distance) C4'-P energy: -58.819 bonds (distance) P-C4' energy: -67.676 flat angles C4'-P-C4' energy: -78.678 flat angles P-C4'-P energy: -50.791 tors. eta vs tors. theta energy: -129.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1455.060650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.060650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.060650 (E_RNA) where: Base-Base interactions energy: -1056.046 where: short stacking energy: -412.141 Base-Backbone interact. energy: -0.489 local terms energy: -398.526358 where: bonds (distance) C4'-P energy: -65.338 bonds (distance) P-C4' energy: -64.196 flat angles C4'-P-C4' energy: -82.240 flat angles P-C4'-P energy: -55.214 tors. eta vs tors. theta energy: -131.537 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: 7 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1407.260583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.260583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.260583 (E_RNA) where: Base-Base interactions energy: -1035.363 where: short stacking energy: -387.595 Base-Backbone interact. energy: -0.810 local terms energy: -371.088177 where: bonds (distance) C4'-P energy: -63.473 bonds (distance) P-C4' energy: -59.197 flat angles C4'-P-C4' energy: -74.257 flat angles P-C4'-P energy: -55.879 tors. eta vs tors. theta energy: -118.281 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: 9 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1386.650622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.650622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.650622 (E_RNA) where: Base-Base interactions energy: -1023.315 where: short stacking energy: -398.517 Base-Backbone interact. energy: -0.368 local terms energy: -362.968001 where: bonds (distance) C4'-P energy: -61.847 bonds (distance) P-C4' energy: -54.687 flat angles C4'-P-C4' energy: -75.012 flat angles P-C4'-P energy: -50.909 tors. eta vs tors. theta energy: -120.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1296.134232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.134232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.134232 (E_RNA) where: Base-Base interactions energy: -938.377 where: short stacking energy: -364.612 Base-Backbone interact. energy: 0.575 local terms energy: -358.332515 where: bonds (distance) C4'-P energy: -45.776 bonds (distance) P-C4' energy: -61.738 flat angles C4'-P-C4' energy: -76.447 flat angles P-C4'-P energy: -53.105 tors. eta vs tors. theta energy: -121.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -1234.264575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.264575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.264575 (E_RNA) where: Base-Base interactions energy: -896.437 where: short stacking energy: -363.088 Base-Backbone interact. energy: -0.585 local terms energy: -337.242717 where: bonds (distance) C4'-P energy: -44.294 bonds (distance) P-C4' energy: -54.557 flat angles C4'-P-C4' energy: -74.102 flat angles P-C4'-P energy: -45.479 tors. eta vs tors. theta energy: -118.810 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: 461 Temperature: 0.900000 Total energy: -1716.616464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.616464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.616464 (E_RNA) where: Base-Base interactions energy: -1242.681 where: short stacking energy: -494.159 Base-Backbone interact. energy: -0.269 local terms energy: -473.666375 where: bonds (distance) C4'-P energy: -76.675 bonds (distance) P-C4' energy: -84.475 flat angles C4'-P-C4' energy: -94.227 flat angles P-C4'-P energy: -70.120 tors. eta vs tors. theta energy: -148.169 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: 6 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1586.641484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.641484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.641484 (E_RNA) where: Base-Base interactions energy: -1157.763 where: short stacking energy: -456.678 Base-Backbone interact. energy: -0.763 local terms energy: -428.115138 where: bonds (distance) C4'-P energy: -73.776 bonds (distance) P-C4' energy: -76.488 flat angles C4'-P-C4' energy: -85.219 flat angles P-C4'-P energy: -57.641 tors. eta vs tors. theta energy: -134.991 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: 3 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1567.194593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.194593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.194593 (E_RNA) where: Base-Base interactions energy: -1151.655 where: short stacking energy: -445.904 Base-Backbone interact. energy: -1.721 local terms energy: -413.819008 where: bonds (distance) C4'-P energy: -72.483 bonds (distance) P-C4' energy: -63.795 flat angles C4'-P-C4' energy: -81.434 flat angles P-C4'-P energy: -64.424 tors. eta vs tors. theta energy: -131.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1524.075080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.075080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.075080 (E_RNA) where: Base-Base interactions energy: -1104.263 where: short stacking energy: -436.386 Base-Backbone interact. energy: 0.383 local terms energy: -420.195667 where: bonds (distance) C4'-P energy: -72.858 bonds (distance) P-C4' energy: -71.266 flat angles C4'-P-C4' energy: -82.247 flat angles P-C4'-P energy: -62.817 tors. eta vs tors. theta energy: -131.008 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: 2 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1525.509435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.509435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.509435 (E_RNA) where: Base-Base interactions energy: -1116.523 where: short stacking energy: -446.386 Base-Backbone interact. energy: 2.047 local terms energy: -411.033987 where: bonds (distance) C4'-P energy: -65.586 bonds (distance) P-C4' energy: -66.471 flat angles C4'-P-C4' energy: -83.175 flat angles P-C4'-P energy: -63.260 tors. eta vs tors. theta energy: -132.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1467.470222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.470222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.470222 (E_RNA) where: Base-Base interactions energy: -1064.002 where: short stacking energy: -413.047 Base-Backbone interact. energy: -0.679 local terms energy: -402.788876 where: bonds (distance) C4'-P energy: -71.929 bonds (distance) P-C4' energy: -65.763 flat angles C4'-P-C4' energy: -83.727 flat angles P-C4'-P energy: -54.571 tors. eta vs tors. theta energy: -126.799 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: 7 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1395.458769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.458769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.458769 (E_RNA) where: Base-Base interactions energy: -1017.806 where: short stacking energy: -363.989 Base-Backbone interact. energy: -0.271 local terms energy: -377.382160 where: bonds (distance) C4'-P energy: -65.770 bonds (distance) P-C4' energy: -64.637 flat angles C4'-P-C4' energy: -83.152 flat angles P-C4'-P energy: -56.028 tors. eta vs tors. theta energy: -107.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1397.574033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.574033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.574033 (E_RNA) where: Base-Base interactions energy: -1018.197 where: short stacking energy: -402.150 Base-Backbone interact. energy: -0.305 local terms energy: -379.072207 where: bonds (distance) C4'-P energy: -68.807 bonds (distance) P-C4' energy: -52.326 flat angles C4'-P-C4' energy: -81.104 flat angles P-C4'-P energy: -49.702 tors. eta vs tors. theta energy: -127.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1251.948720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.948720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.948720 (E_RNA) where: Base-Base interactions energy: -907.562 where: short stacking energy: -348.896 Base-Backbone interact. energy: 0.178 local terms energy: -344.565503 where: bonds (distance) C4'-P energy: -64.329 bonds (distance) P-C4' energy: -60.224 flat angles C4'-P-C4' energy: -69.871 flat angles P-C4'-P energy: -56.356 tors. eta vs tors. theta energy: -93.785 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: 10, replica: 4 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -1233.325398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.325398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.325398 (E_RNA) where: Base-Base interactions energy: -886.065 where: short stacking energy: -346.859 Base-Backbone interact. energy: -0.389 local terms energy: -346.871432 where: bonds (distance) C4'-P energy: -57.441 bonds (distance) P-C4' energy: -58.344 flat angles C4'-P-C4' energy: -67.867 flat angles P-C4'-P energy: -50.048 tors. eta vs tors. theta energy: -113.172 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: 462 Temperature: 0.900000 Total energy: -1719.014740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.014740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.014740 (E_RNA) where: Base-Base interactions energy: -1256.431 where: short stacking energy: -498.505 Base-Backbone interact. energy: -0.128 local terms energy: -462.455481 where: bonds (distance) C4'-P energy: -72.953 bonds (distance) P-C4' energy: -77.842 flat angles C4'-P-C4' energy: -91.995 flat angles P-C4'-P energy: -69.074 tors. eta vs tors. theta energy: -150.591 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: 2, replica: 6 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1593.482710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.482710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.482710 (E_RNA) where: Base-Base interactions energy: -1150.161 where: short stacking energy: -442.651 Base-Backbone interact. energy: 0.031 local terms energy: -443.352722 where: bonds (distance) C4'-P energy: -68.702 bonds (distance) P-C4' energy: -80.487 flat angles C4'-P-C4' energy: -93.671 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -131.267 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: 3, replica: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1567.681831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.681831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.681831 (E_RNA) where: Base-Base interactions energy: -1153.237 where: short stacking energy: -454.401 Base-Backbone interact. energy: -0.901 local terms energy: -413.544326 where: bonds (distance) C4'-P energy: -67.665 bonds (distance) P-C4' energy: -58.525 flat angles C4'-P-C4' energy: -89.527 flat angles P-C4'-P energy: -65.611 tors. eta vs tors. theta energy: -132.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1515.820192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.820192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.820192 (E_RNA) where: Base-Base interactions energy: -1093.622 where: short stacking energy: -431.121 Base-Backbone interact. energy: 0.612 local terms energy: -422.810274 where: bonds (distance) C4'-P energy: -76.111 bonds (distance) P-C4' energy: -66.636 flat angles C4'-P-C4' energy: -83.825 flat angles P-C4'-P energy: -63.597 tors. eta vs tors. theta energy: -132.641 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: 10 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1476.284129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.284129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.284129 (E_RNA) where: Base-Base interactions energy: -1057.254 where: short stacking energy: -417.264 Base-Backbone interact. energy: -0.892 local terms energy: -418.137929 where: bonds (distance) C4'-P energy: -75.267 bonds (distance) P-C4' energy: -74.246 flat angles C4'-P-C4' energy: -84.101 flat angles P-C4'-P energy: -56.910 tors. eta vs tors. theta energy: -127.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1510.213175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.213175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.213175 (E_RNA) where: Base-Base interactions energy: -1095.769 where: short stacking energy: -433.410 Base-Backbone interact. energy: 0.595 local terms energy: -415.039109 where: bonds (distance) C4'-P energy: -68.825 bonds (distance) P-C4' energy: -77.799 flat angles C4'-P-C4' energy: -78.895 flat angles P-C4'-P energy: -60.973 tors. eta vs tors. theta energy: -128.548 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: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1400.013702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.013702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.013702 (E_RNA) where: Base-Base interactions energy: -1022.879 where: short stacking energy: -395.424 Base-Backbone interact. energy: -0.298 local terms energy: -376.836815 where: bonds (distance) C4'-P energy: -62.193 bonds (distance) P-C4' energy: -69.665 flat angles C4'-P-C4' energy: -76.286 flat angles P-C4'-P energy: -52.453 tors. eta vs tors. theta energy: -116.240 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: 7 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1394.634692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.634692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.634692 (E_RNA) where: Base-Base interactions energy: -1042.695 where: short stacking energy: -386.918 Base-Backbone interact. energy: 1.508 local terms energy: -353.447967 where: bonds (distance) C4'-P energy: -65.982 bonds (distance) P-C4' energy: -60.340 flat angles C4'-P-C4' energy: -55.359 flat angles P-C4'-P energy: -57.634 tors. eta vs tors. theta energy: -114.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1282.130800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.130800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.130800 (E_RNA) where: Base-Base interactions energy: -925.284 where: short stacking energy: -375.694 Base-Backbone interact. energy: -0.631 local terms energy: -356.215595 where: bonds (distance) C4'-P energy: -55.628 bonds (distance) P-C4' energy: -57.508 flat angles C4'-P-C4' energy: -77.457 flat angles P-C4'-P energy: -56.333 tors. eta vs tors. theta energy: -109.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -1171.345092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.345092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.345092 (E_RNA) where: Base-Base interactions energy: -846.578 where: short stacking energy: -338.842 Base-Backbone interact. energy: 1.189 local terms energy: -325.955905 where: bonds (distance) C4'-P energy: -43.594 bonds (distance) P-C4' energy: -60.791 flat angles C4'-P-C4' energy: -80.964 flat angles P-C4'-P energy: -42.113 tors. eta vs tors. theta energy: -98.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1706.922777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.922777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.922777 (E_RNA) where: Base-Base interactions energy: -1264.884 where: short stacking energy: -498.720 Base-Backbone interact. energy: 0.281 local terms energy: -442.319479 where: bonds (distance) C4'-P energy: -67.552 bonds (distance) P-C4' energy: -70.517 flat angles C4'-P-C4' energy: -92.797 flat angles P-C4'-P energy: -63.255 tors. eta vs tors. theta energy: -148.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1584.741985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.741985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.741985 (E_RNA) where: Base-Base interactions energy: -1151.647 where: short stacking energy: -450.695 Base-Backbone interact. energy: -0.440 local terms energy: -432.654996 where: bonds (distance) C4'-P energy: -83.338 bonds (distance) P-C4' energy: -73.581 flat angles C4'-P-C4' energy: -86.127 flat angles P-C4'-P energy: -58.442 tors. eta vs tors. theta energy: -131.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1565.464714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.464714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.464714 (E_RNA) where: Base-Base interactions energy: -1137.384 where: short stacking energy: -443.316 Base-Backbone interact. energy: -0.963 local terms energy: -427.117998 where: bonds (distance) C4'-P energy: -69.691 bonds (distance) P-C4' energy: -76.909 flat angles C4'-P-C4' energy: -88.367 flat angles P-C4'-P energy: -60.789 tors. eta vs tors. theta energy: -131.362 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: 463 Temperature: 1.050000 Total energy: -1517.248467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.248467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.248467 (E_RNA) where: Base-Base interactions energy: -1104.593 where: short stacking energy: -422.789 Base-Backbone interact. energy: -0.480 local terms energy: -412.175207 where: bonds (distance) C4'-P energy: -67.078 bonds (distance) P-C4' energy: -71.018 flat angles C4'-P-C4' energy: -81.437 flat angles P-C4'-P energy: -61.108 tors. eta vs tors. theta energy: -131.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1493.522647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.522647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.522647 (E_RNA) where: Base-Base interactions energy: -1069.075 where: short stacking energy: -418.412 Base-Backbone interact. energy: -0.406 local terms energy: -424.041243 where: bonds (distance) C4'-P energy: -78.718 bonds (distance) P-C4' energy: -60.597 flat angles C4'-P-C4' energy: -93.689 flat angles P-C4'-P energy: -58.587 tors. eta vs tors. theta energy: -132.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1499.642212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.642212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.642212 (E_RNA) where: Base-Base interactions energy: -1093.065 where: short stacking energy: -417.004 Base-Backbone interact. energy: -1.325 local terms energy: -405.253018 where: bonds (distance) C4'-P energy: -69.150 bonds (distance) P-C4' energy: -73.817 flat angles C4'-P-C4' energy: -80.180 flat angles P-C4'-P energy: -55.181 tors. eta vs tors. theta energy: -126.925 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: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1430.495307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.495307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.495307 (E_RNA) where: Base-Base interactions energy: -1052.451 where: short stacking energy: -410.727 Base-Backbone interact. energy: -0.696 local terms energy: -377.347960 where: bonds (distance) C4'-P energy: -66.150 bonds (distance) P-C4' energy: -57.228 flat angles C4'-P-C4' energy: -74.556 flat angles P-C4'-P energy: -58.996 tors. eta vs tors. theta energy: -120.418 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: 7 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1382.870943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.870943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.870943 (E_RNA) where: Base-Base interactions energy: -1025.754 where: short stacking energy: -390.791 Base-Backbone interact. energy: -0.277 local terms energy: -356.839593 where: bonds (distance) C4'-P energy: -59.080 bonds (distance) P-C4' energy: -52.887 flat angles C4'-P-C4' energy: -86.161 flat angles P-C4'-P energy: -51.643 tors. eta vs tors. theta energy: -107.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1275.412025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.412025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.412025 (E_RNA) where: Base-Base interactions energy: -917.012 where: short stacking energy: -359.250 Base-Backbone interact. energy: -1.100 local terms energy: -357.300101 where: bonds (distance) C4'-P energy: -67.589 bonds (distance) P-C4' energy: -65.218 flat angles C4'-P-C4' energy: -69.455 flat angles P-C4'-P energy: -48.660 tors. eta vs tors. theta energy: -106.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -1162.870744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.870744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.870744 (E_RNA) where: Base-Base interactions energy: -840.235 where: short stacking energy: -326.415 Base-Backbone interact. energy: -0.838 local terms energy: -321.797739 where: bonds (distance) C4'-P energy: -50.018 bonds (distance) P-C4' energy: -64.283 flat angles C4'-P-C4' energy: -69.779 flat angles P-C4'-P energy: -48.370 tors. eta vs tors. theta energy: -89.347 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: 464 Temperature: 0.900000 Total energy: -1703.657244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.657244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.657244 (E_RNA) where: Base-Base interactions energy: -1237.443 where: short stacking energy: -494.207 Base-Backbone interact. energy: -0.007 local terms energy: -466.206699 where: bonds (distance) C4'-P energy: -75.471 bonds (distance) P-C4' energy: -80.206 flat angles C4'-P-C4' energy: -94.507 flat angles P-C4'-P energy: -65.043 tors. eta vs tors. theta energy: -150.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1600.966896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.966896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.966896 (E_RNA) where: Base-Base interactions energy: -1165.348 where: short stacking energy: -453.278 Base-Backbone interact. energy: 3.821 local terms energy: -439.440530 where: bonds (distance) C4'-P energy: -76.338 bonds (distance) P-C4' energy: -81.009 flat angles C4'-P-C4' energy: -93.428 flat angles P-C4'-P energy: -57.737 tors. eta vs tors. theta energy: -130.929 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: 6 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1550.498386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.498386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.498386 (E_RNA) where: Base-Base interactions energy: -1134.042 where: short stacking energy: -423.049 Base-Backbone interact. energy: -0.467 local terms energy: -415.988878 where: bonds (distance) C4'-P energy: -65.188 bonds (distance) P-C4' energy: -77.383 flat angles C4'-P-C4' energy: -77.929 flat angles P-C4'-P energy: -67.510 tors. eta vs tors. theta energy: -127.979 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: 1 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1507.752540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.752540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.752540 (E_RNA) where: Base-Base interactions energy: -1100.978 where: short stacking energy: -422.681 Base-Backbone interact. energy: 0.216 local terms energy: -406.990566 where: bonds (distance) C4'-P energy: -73.106 bonds (distance) P-C4' energy: -69.735 flat angles C4'-P-C4' energy: -85.157 flat angles P-C4'-P energy: -57.768 tors. eta vs tors. theta energy: -121.225 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: 10 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1493.864339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.864339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.864339 (E_RNA) where: Base-Base interactions energy: -1082.962 where: short stacking energy: -443.140 Base-Backbone interact. energy: -0.221 local terms energy: -410.681117 where: bonds (distance) C4'-P energy: -74.080 bonds (distance) P-C4' energy: -69.941 flat angles C4'-P-C4' energy: -78.329 flat angles P-C4'-P energy: -55.150 tors. eta vs tors. theta energy: -133.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1491.097226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.097226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.097226 (E_RNA) where: Base-Base interactions energy: -1094.270 where: short stacking energy: -422.073 Base-Backbone interact. energy: -1.114 local terms energy: -395.713796 where: bonds (distance) C4'-P energy: -66.829 bonds (distance) P-C4' energy: -62.834 flat angles C4'-P-C4' energy: -82.036 flat angles P-C4'-P energy: -57.362 tors. eta vs tors. theta energy: -126.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1398.057873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.057873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.057873 (E_RNA) where: Base-Base interactions energy: -1019.173 where: short stacking energy: -399.349 Base-Backbone interact. energy: 5.537 local terms energy: -384.421586 where: bonds (distance) C4'-P energy: -73.497 bonds (distance) P-C4' energy: -54.770 flat angles C4'-P-C4' energy: -83.697 flat angles P-C4'-P energy: -52.432 tors. eta vs tors. theta energy: -120.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1419.926851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.926851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.926851 (E_RNA) where: Base-Base interactions energy: -1068.153 where: short stacking energy: -403.890 Base-Backbone interact. energy: -0.353 local terms energy: -351.420524 where: bonds (distance) C4'-P energy: -56.631 bonds (distance) P-C4' energy: -53.455 flat angles C4'-P-C4' energy: -77.442 flat angles P-C4'-P energy: -45.676 tors. eta vs tors. theta energy: -118.217 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: 8 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1280.932207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.932207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.932207 (E_RNA) where: Base-Base interactions energy: -924.338 where: short stacking energy: -367.458 Base-Backbone interact. energy: -1.524 local terms energy: -355.070457 where: bonds (distance) C4'-P energy: -51.056 bonds (distance) P-C4' energy: -56.148 flat angles C4'-P-C4' energy: -74.276 flat angles P-C4'-P energy: -61.472 tors. eta vs tors. theta energy: -112.118 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: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -1163.728203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.728203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.728203 (E_RNA) where: Base-Base interactions energy: -850.898 where: short stacking energy: -322.790 Base-Backbone interact. energy: -0.503 local terms energy: -312.327087 where: bonds (distance) C4'-P energy: -42.870 bonds (distance) P-C4' energy: -52.521 flat angles C4'-P-C4' energy: -72.933 flat angles P-C4'-P energy: -50.627 tors. eta vs tors. theta energy: -93.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1718.587524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.587524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.587524 (E_RNA) where: Base-Base interactions energy: -1266.889 where: short stacking energy: -496.448 Base-Backbone interact. energy: 1.294 local terms energy: -452.992499 where: bonds (distance) C4'-P energy: -73.014 bonds (distance) P-C4' energy: -67.493 flat angles C4'-P-C4' energy: -90.993 flat angles P-C4'-P energy: -71.816 tors. eta vs tors. theta energy: -149.676 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: 3 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1579.638215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.638215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.638215 (E_RNA) where: Base-Base interactions energy: -1145.140 where: short stacking energy: -440.689 Base-Backbone interact. energy: -1.570 local terms energy: -432.928154 where: bonds (distance) C4'-P energy: -73.114 bonds (distance) P-C4' energy: -73.736 flat angles C4'-P-C4' energy: -85.129 flat angles P-C4'-P energy: -68.441 tors. eta vs tors. theta energy: -132.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1563.896425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.896425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.896425 (E_RNA) where: Base-Base interactions energy: -1152.233 where: short stacking energy: -434.658 Base-Backbone interact. energy: -1.831 local terms energy: -409.832549 where: bonds (distance) C4'-P energy: -60.256 bonds (distance) P-C4' energy: -76.721 flat angles C4'-P-C4' energy: -84.547 flat angles P-C4'-P energy: -57.626 tors. eta vs tors. theta energy: -130.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1514.203182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.203182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.203182 (E_RNA) where: Base-Base interactions energy: -1099.459 where: short stacking energy: -424.555 Base-Backbone interact. energy: -1.090 local terms energy: -413.653946 where: bonds (distance) C4'-P energy: -68.810 bonds (distance) P-C4' energy: -77.264 flat angles C4'-P-C4' energy: -78.811 flat angles P-C4'-P energy: -59.627 tors. eta vs tors. theta energy: -129.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1505.550195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.550195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.550195 (E_RNA) where: Base-Base interactions energy: -1096.263 where: short stacking energy: -434.530 Base-Backbone interact. energy: -0.387 local terms energy: -408.900305 where: bonds (distance) C4'-P energy: -66.135 bonds (distance) P-C4' energy: -68.772 flat angles C4'-P-C4' energy: -86.436 flat angles P-C4'-P energy: -62.376 tors. eta vs tors. theta energy: -125.180 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: 2 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1513.675913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.675913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.675913 (E_RNA) where: Base-Base interactions energy: -1109.008 where: short stacking energy: -439.183 Base-Backbone interact. energy: -1.023 local terms energy: -403.645833 where: bonds (distance) C4'-P energy: -61.369 bonds (distance) P-C4' energy: -69.787 flat angles C4'-P-C4' energy: -85.715 flat angles P-C4'-P energy: -56.144 tors. eta vs tors. theta energy: -130.631 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: 9 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1394.374363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.374363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.374363 (E_RNA) where: Base-Base interactions energy: -1033.321 where: short stacking energy: -401.101 Base-Backbone interact. energy: -0.352 local terms energy: -360.700661 where: bonds (distance) C4'-P energy: -63.079 bonds (distance) P-C4' energy: -52.840 flat angles C4'-P-C4' energy: -81.653 flat angles P-C4'-P energy: -41.316 tors. eta vs tors. theta energy: -121.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1399.374070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.374070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.374070 (E_RNA) where: Base-Base interactions energy: -1027.225 where: short stacking energy: -387.362 Base-Backbone interact. energy: 0.192 local terms energy: -372.341058 where: bonds (distance) C4'-P energy: -58.720 bonds (distance) P-C4' energy: -69.983 flat angles C4'-P-C4' energy: -73.108 flat angles P-C4'-P energy: -54.528 tors. eta vs tors. theta energy: -116.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1280.745190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.745190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.745190 (E_RNA) where: Base-Base interactions energy: -932.638 where: short stacking energy: -369.809 Base-Backbone interact. energy: -0.702 local terms energy: -347.405011 where: bonds (distance) C4'-P energy: -59.938 bonds (distance) P-C4' energy: -55.644 flat angles C4'-P-C4' energy: -75.812 flat angles P-C4'-P energy: -49.014 tors. eta vs tors. theta energy: -106.997 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: 465 Temperature: 1.350000 Total energy: -1187.419374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.419374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.419374 (E_RNA) where: Base-Base interactions energy: -865.941 where: short stacking energy: -335.971 Base-Backbone interact. energy: -1.421 local terms energy: -320.056487 where: bonds (distance) C4'-P energy: -60.986 bonds (distance) P-C4' energy: -59.262 flat angles C4'-P-C4' energy: -66.523 flat angles P-C4'-P energy: -35.695 tors. eta vs tors. theta energy: -97.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1709.184649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.184649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.184649 (E_RNA) where: Base-Base interactions energy: -1235.828 where: short stacking energy: -478.994 Base-Backbone interact. energy: -0.145 local terms energy: -473.211239 where: bonds (distance) C4'-P energy: -80.427 bonds (distance) P-C4' energy: -86.635 flat angles C4'-P-C4' energy: -91.973 flat angles P-C4'-P energy: -68.677 tors. eta vs tors. theta energy: -145.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1585.459310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.459310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.459310 (E_RNA) where: Base-Base interactions energy: -1151.886 where: short stacking energy: -436.447 Base-Backbone interact. energy: -0.161 local terms energy: -433.412899 where: bonds (distance) C4'-P energy: -76.200 bonds (distance) P-C4' energy: -74.396 flat angles C4'-P-C4' energy: -100.414 flat angles P-C4'-P energy: -54.968 tors. eta vs tors. theta energy: -127.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1532.798516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.798516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.798516 (E_RNA) where: Base-Base interactions energy: -1090.398 where: short stacking energy: -441.192 Base-Backbone interact. energy: -0.269 local terms energy: -442.131497 where: bonds (distance) C4'-P energy: -76.470 bonds (distance) P-C4' energy: -84.049 flat angles C4'-P-C4' energy: -95.184 flat angles P-C4'-P energy: -56.447 tors. eta vs tors. theta energy: -129.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1552.940648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.940648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.940648 (E_RNA) where: Base-Base interactions energy: -1127.526 where: short stacking energy: -441.124 Base-Backbone interact. energy: -0.460 local terms energy: -424.954828 where: bonds (distance) C4'-P energy: -74.660 bonds (distance) P-C4' energy: -72.078 flat angles C4'-P-C4' energy: -91.135 flat angles P-C4'-P energy: -54.792 tors. eta vs tors. theta energy: -132.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1527.331962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.331962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.331962 (E_RNA) where: Base-Base interactions energy: -1095.575 where: short stacking energy: -420.655 Base-Backbone interact. energy: -1.492 local terms energy: -430.265183 where: bonds (distance) C4'-P energy: -79.187 bonds (distance) P-C4' energy: -65.264 flat angles C4'-P-C4' energy: -87.572 flat angles P-C4'-P energy: -70.298 tors. eta vs tors. theta energy: -127.944 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: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1478.276513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.276513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.276513 (E_RNA) where: Base-Base interactions energy: -1079.314 where: short stacking energy: -413.775 Base-Backbone interact. energy: -0.376 local terms energy: -398.586468 where: bonds (distance) C4'-P energy: -60.783 bonds (distance) P-C4' energy: -72.571 flat angles C4'-P-C4' energy: -84.106 flat angles P-C4'-P energy: -53.341 tors. eta vs tors. theta energy: -127.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1431.757308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.757308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.757308 (E_RNA) where: Base-Base interactions energy: -1074.137 where: short stacking energy: -397.708 Base-Backbone interact. energy: 2.237 local terms energy: -359.857684 where: bonds (distance) C4'-P energy: -59.429 bonds (distance) P-C4' energy: -54.875 flat angles C4'-P-C4' energy: -79.215 flat angles P-C4'-P energy: -49.619 tors. eta vs tors. theta energy: -116.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1411.127659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.127659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.127659 (E_RNA) where: Base-Base interactions energy: -1031.531 where: short stacking energy: -410.237 Base-Backbone interact. energy: 9.822 local terms energy: -389.418516 where: bonds (distance) C4'-P energy: -70.870 bonds (distance) P-C4' energy: -65.370 flat angles C4'-P-C4' energy: -81.262 flat angles P-C4'-P energy: -57.067 tors. eta vs tors. theta energy: -114.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1285.416474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.416474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.416474 (E_RNA) where: Base-Base interactions energy: -935.091 where: short stacking energy: -367.692 Base-Backbone interact. energy: -0.548 local terms energy: -349.777166 where: bonds (distance) C4'-P energy: -61.824 bonds (distance) P-C4' energy: -66.550 flat angles C4'-P-C4' energy: -72.853 flat angles P-C4'-P energy: -41.469 tors. eta vs tors. theta energy: -107.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -1230.594124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.594124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.594124 (E_RNA) where: Base-Base interactions energy: -902.912 where: short stacking energy: -360.807 Base-Backbone interact. energy: 5.105 local terms energy: -332.786734 where: bonds (distance) C4'-P energy: -65.053 bonds (distance) P-C4' energy: -46.050 flat angles C4'-P-C4' energy: -76.735 flat angles P-C4'-P energy: -43.135 tors. eta vs tors. theta energy: -101.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1719.631606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.631606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.631606 (E_RNA) where: Base-Base interactions energy: -1243.178 where: short stacking energy: -484.397 Base-Backbone interact. energy: -0.898 local terms energy: -475.555824 where: bonds (distance) C4'-P energy: -77.648 bonds (distance) P-C4' energy: -78.336 flat angles C4'-P-C4' energy: -96.112 flat angles P-C4'-P energy: -71.365 tors. eta vs tors. theta energy: -152.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1583.913912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.913912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.913912 (E_RNA) where: Base-Base interactions energy: -1173.681 where: short stacking energy: -449.913 Base-Backbone interact. energy: 3.191 local terms energy: -413.424294 where: bonds (distance) C4'-P energy: -71.153 bonds (distance) P-C4' energy: -74.137 flat angles C4'-P-C4' energy: -86.402 flat angles P-C4'-P energy: -52.244 tors. eta vs tors. theta energy: -129.488 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: 3, replica: 10 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1537.119113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.119113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.119113 (E_RNA) where: Base-Base interactions energy: -1094.545 where: short stacking energy: -428.158 Base-Backbone interact. energy: -1.410 local terms energy: -441.164269 where: bonds (distance) C4'-P energy: -76.506 bonds (distance) P-C4' energy: -78.242 flat angles C4'-P-C4' energy: -95.042 flat angles P-C4'-P energy: -65.786 tors. eta vs tors. theta energy: -125.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1552.488330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.488330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.488330 (E_RNA) where: Base-Base interactions energy: -1126.296 where: short stacking energy: -434.232 Base-Backbone interact. energy: 0.154 local terms energy: -426.346404 where: bonds (distance) C4'-P energy: -75.177 bonds (distance) P-C4' energy: -76.183 flat angles C4'-P-C4' energy: -85.021 flat angles P-C4'-P energy: -55.416 tors. eta vs tors. theta energy: -134.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1512.766032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.766032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.766032 (E_RNA) where: Base-Base interactions energy: -1093.306 where: short stacking energy: -429.466 Base-Backbone interact. energy: 0.689 local terms energy: -420.149425 where: bonds (distance) C4'-P energy: -75.311 bonds (distance) P-C4' energy: -73.434 flat angles C4'-P-C4' energy: -83.149 flat angles P-C4'-P energy: -57.890 tors. eta vs tors. theta energy: -130.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1467.937447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.937447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.937447 (E_RNA) where: Base-Base interactions energy: -1065.766 where: short stacking energy: -419.093 Base-Backbone interact. energy: -0.048 local terms energy: -402.123495 where: bonds (distance) C4'-P energy: -63.100 bonds (distance) P-C4' energy: -68.773 flat angles C4'-P-C4' energy: -82.066 flat angles P-C4'-P energy: -56.245 tors. eta vs tors. theta energy: -131.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1446.745005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.745005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.745005 (E_RNA) where: Base-Base interactions energy: -1052.386 where: short stacking energy: -405.433 Base-Backbone interact. energy: -0.611 local terms energy: -393.748016 where: bonds (distance) C4'-P energy: -77.957 bonds (distance) P-C4' energy: -67.989 flat angles C4'-P-C4' energy: -76.780 flat angles P-C4'-P energy: -48.759 tors. eta vs tors. theta energy: -122.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1387.672136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.672136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.672136 (E_RNA) where: Base-Base interactions energy: -1011.106 where: short stacking energy: -394.469 Base-Backbone interact. energy: -1.066 local terms energy: -375.500188 where: bonds (distance) C4'-P energy: -67.470 bonds (distance) P-C4' energy: -62.659 flat angles C4'-P-C4' energy: -71.390 flat angles P-C4'-P energy: -56.880 tors. eta vs tors. theta energy: -117.100 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: 8 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1262.698955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.698955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.698955 (E_RNA) where: Base-Base interactions energy: -917.114 where: short stacking energy: -347.014 Base-Backbone interact. energy: -0.428 local terms energy: -345.157166 where: bonds (distance) C4'-P energy: -64.181 bonds (distance) P-C4' energy: -65.586 flat angles C4'-P-C4' energy: -70.431 flat angles P-C4'-P energy: -32.619 tors. eta vs tors. theta energy: -112.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -1224.640694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.640694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.640694 (E_RNA) where: Base-Base interactions energy: -865.065 where: short stacking energy: -333.566 Base-Backbone interact. energy: -0.329 local terms energy: -359.247083 where: bonds (distance) C4'-P energy: -62.297 bonds (distance) P-C4' energy: -67.966 flat angles C4'-P-C4' energy: -82.770 flat angles P-C4'-P energy: -46.477 tors. eta vs tors. theta energy: -99.737 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: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1704.458468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.458468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.458468 (E_RNA) where: Base-Base interactions energy: -1246.694 where: short stacking energy: -486.092 Base-Backbone interact. energy: -0.229 local terms energy: -457.535537 where: bonds (distance) C4'-P energy: -70.445 bonds (distance) P-C4' energy: -75.655 flat angles C4'-P-C4' energy: -95.174 flat angles P-C4'-P energy: -67.980 tors. eta vs tors. theta energy: -148.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1611.275234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.275234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.275234 (E_RNA) where: Base-Base interactions energy: -1178.937 where: short stacking energy: -445.956 Base-Backbone interact. energy: -0.328 local terms energy: -432.010178 where: bonds (distance) C4'-P energy: -82.218 bonds (distance) P-C4' energy: -76.441 flat angles C4'-P-C4' energy: -88.923 flat angles P-C4'-P energy: -55.867 tors. eta vs tors. theta energy: -128.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1569.313457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.313457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.313457 (E_RNA) where: Base-Base interactions energy: -1144.502 where: short stacking energy: -448.375 Base-Backbone interact. energy: -1.454 local terms energy: -423.357805 where: bonds (distance) C4'-P energy: -76.920 bonds (distance) P-C4' energy: -70.192 flat angles C4'-P-C4' energy: -83.791 flat angles P-C4'-P energy: -66.687 tors. eta vs tors. theta energy: -125.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1512.796917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.796917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.796917 (E_RNA) where: Base-Base interactions energy: -1097.006 where: short stacking energy: -432.235 Base-Backbone interact. energy: -1.203 local terms energy: -414.587551 where: bonds (distance) C4'-P energy: -59.982 bonds (distance) P-C4' energy: -69.904 flat angles C4'-P-C4' energy: -88.949 flat angles P-C4'-P energy: -64.170 tors. eta vs tors. theta energy: -131.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1509.021629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.021629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.021629 (E_RNA) where: Base-Base interactions energy: -1106.627 where: short stacking energy: -432.875 Base-Backbone interact. energy: 1.767 local terms energy: -404.161595 where: bonds (distance) C4'-P energy: -61.089 bonds (distance) P-C4' energy: -57.056 flat angles C4'-P-C4' energy: -86.307 flat angles P-C4'-P energy: -68.548 tors. eta vs tors. theta energy: -131.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1493.711658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.711658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.711658 (E_RNA) where: Base-Base interactions energy: -1072.358 where: short stacking energy: -418.304 Base-Backbone interact. energy: -1.329 local terms energy: -420.024382 where: bonds (distance) C4'-P energy: -65.701 bonds (distance) P-C4' energy: -67.609 flat angles C4'-P-C4' energy: -90.981 flat angles P-C4'-P energy: -59.720 tors. eta vs tors. theta energy: -136.013 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: 7 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1446.831423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.831423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.831423 (E_RNA) where: Base-Base interactions energy: -1054.430 where: short stacking energy: -401.686 Base-Backbone interact. energy: 1.417 local terms energy: -393.818245 where: bonds (distance) C4'-P energy: -66.373 bonds (distance) P-C4' energy: -64.388 flat angles C4'-P-C4' energy: -85.710 flat angles P-C4'-P energy: -60.817 tors. eta vs tors. theta energy: -116.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1390.031916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.031916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.031916 (E_RNA) where: Base-Base interactions energy: -1004.155 where: short stacking energy: -402.763 Base-Backbone interact. energy: -1.266 local terms energy: -384.611066 where: bonds (distance) C4'-P energy: -71.576 bonds (distance) P-C4' energy: -57.609 flat angles C4'-P-C4' energy: -83.891 flat angles P-C4'-P energy: -51.364 tors. eta vs tors. theta energy: -120.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1252.450207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.450207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.450207 (E_RNA) where: Base-Base interactions energy: -893.573 where: short stacking energy: -341.121 Base-Backbone interact. energy: 1.146 local terms energy: -360.023214 where: bonds (distance) C4'-P energy: -74.557 bonds (distance) P-C4' energy: -59.672 flat angles C4'-P-C4' energy: -77.257 flat angles P-C4'-P energy: -50.842 tors. eta vs tors. theta energy: -97.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -1214.412528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.412528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.412528 (E_RNA) where: Base-Base interactions energy: -886.361 where: short stacking energy: -341.353 Base-Backbone interact. energy: -0.284 local terms energy: -327.767595 where: bonds (distance) C4'-P energy: -65.403 bonds (distance) P-C4' energy: -57.181 flat angles C4'-P-C4' energy: -67.698 flat angles P-C4'-P energy: -40.927 tors. eta vs tors. theta energy: -96.559 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: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1697.055754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.055754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.055754 (E_RNA) where: Base-Base interactions energy: -1238.368 where: short stacking energy: -479.304 Base-Backbone interact. energy: -0.188 local terms energy: -458.499710 where: bonds (distance) C4'-P energy: -79.541 bonds (distance) P-C4' energy: -71.245 flat angles C4'-P-C4' energy: -96.375 flat angles P-C4'-P energy: -65.146 tors. eta vs tors. theta energy: -146.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1593.805409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.805409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.805409 (E_RNA) where: Base-Base interactions energy: -1158.707 where: short stacking energy: -444.405 Base-Backbone interact. energy: -0.351 local terms energy: -434.747785 where: bonds (distance) C4'-P energy: -72.541 bonds (distance) P-C4' energy: -79.066 flat angles C4'-P-C4' energy: -89.826 flat angles P-C4'-P energy: -61.040 tors. eta vs tors. theta energy: -132.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1569.602095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.602095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.602095 (E_RNA) where: Base-Base interactions energy: -1156.298 where: short stacking energy: -445.824 Base-Backbone interact. energy: -0.677 local terms energy: -412.626967 where: bonds (distance) C4'-P energy: -74.890 bonds (distance) P-C4' energy: -70.440 flat angles C4'-P-C4' energy: -85.027 flat angles P-C4'-P energy: -50.982 tors. eta vs tors. theta energy: -131.289 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: 2 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1528.074868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.074868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.074868 (E_RNA) where: Base-Base interactions energy: -1124.688 where: short stacking energy: -435.588 Base-Backbone interact. energy: 1.174 local terms energy: -404.560528 where: bonds (distance) C4'-P energy: -65.955 bonds (distance) P-C4' energy: -68.726 flat angles C4'-P-C4' energy: -79.145 flat angles P-C4'-P energy: -59.525 tors. eta vs tors. theta energy: -131.208 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: 10 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1500.170344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.170344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.170344 (E_RNA) where: Base-Base interactions energy: -1084.408 where: short stacking energy: -423.108 Base-Backbone interact. energy: -0.450 local terms energy: -415.312521 where: bonds (distance) C4'-P energy: -68.130 bonds (distance) P-C4' energy: -73.741 flat angles C4'-P-C4' energy: -90.385 flat angles P-C4'-P energy: -58.737 tors. eta vs tors. theta energy: -124.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1477.005642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.005642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.005642 (E_RNA) where: Base-Base interactions energy: -1082.054 where: short stacking energy: -426.597 Base-Backbone interact. energy: -0.686 local terms energy: -394.265564 where: bonds (distance) C4'-P energy: -56.103 bonds (distance) P-C4' energy: -63.888 flat angles C4'-P-C4' energy: -85.925 flat angles P-C4'-P energy: -57.185 tors. eta vs tors. theta energy: -131.165 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: 7 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1438.475780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.475780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.475780 (E_RNA) where: Base-Base interactions energy: -1057.909 where: short stacking energy: -396.544 Base-Backbone interact. energy: -2.015 local terms energy: -378.551570 where: bonds (distance) C4'-P energy: -66.469 bonds (distance) P-C4' energy: -67.535 flat angles C4'-P-C4' energy: -81.781 flat angles P-C4'-P energy: -45.280 tors. eta vs tors. theta energy: -117.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1382.905017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.905017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.905017 (E_RNA) where: Base-Base interactions energy: -1014.230 where: short stacking energy: -401.787 Base-Backbone interact. energy: -0.220 local terms energy: -368.455250 where: bonds (distance) C4'-P energy: -73.510 bonds (distance) P-C4' energy: -53.145 flat angles C4'-P-C4' energy: -76.923 flat angles P-C4'-P energy: -44.884 tors. eta vs tors. theta energy: -119.994 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: 8 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1252.700058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.700058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.700058 (E_RNA) where: Base-Base interactions energy: -904.304 where: short stacking energy: -329.562 Base-Backbone interact. energy: -0.270 local terms energy: -348.126927 where: bonds (distance) C4'-P energy: -64.938 bonds (distance) P-C4' energy: -72.177 flat angles C4'-P-C4' energy: -69.551 flat angles P-C4'-P energy: -43.392 tors. eta vs tors. theta energy: -98.069 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: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -1214.426841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.426841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.426841 (E_RNA) where: Base-Base interactions energy: -885.167 where: short stacking energy: -354.466 Base-Backbone interact. energy: -0.408 local terms energy: -328.851805 where: bonds (distance) C4'-P energy: -43.806 bonds (distance) P-C4' energy: -63.728 flat angles C4'-P-C4' energy: -66.122 flat angles P-C4'-P energy: -44.793 tors. eta vs tors. theta energy: -110.404 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: 5 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1709.426046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.426046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.426046 (E_RNA) where: Base-Base interactions energy: -1251.061 where: short stacking energy: -488.365 Base-Backbone interact. energy: -0.019 local terms energy: -458.346031 where: bonds (distance) C4'-P energy: -72.588 bonds (distance) P-C4' energy: -77.430 flat angles C4'-P-C4' energy: -91.228 flat angles P-C4'-P energy: -72.450 tors. eta vs tors. theta energy: -144.650 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: 2, replica: 3 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1591.816063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.816063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.816063 (E_RNA) where: Base-Base interactions energy: -1165.646 where: short stacking energy: -446.970 Base-Backbone interact. energy: 0.622 local terms energy: -426.792134 where: bonds (distance) C4'-P energy: -76.510 bonds (distance) P-C4' energy: -72.749 flat angles C4'-P-C4' energy: -90.075 flat angles P-C4'-P energy: -54.369 tors. eta vs tors. theta energy: -133.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1579.514812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.514812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.514812 (E_RNA) where: Base-Base interactions energy: -1170.870 where: short stacking energy: -458.610 Base-Backbone interact. energy: 0.513 local terms energy: -409.157286 where: bonds (distance) C4'-P energy: -61.489 bonds (distance) P-C4' energy: -71.622 flat angles C4'-P-C4' energy: -91.468 flat angles P-C4'-P energy: -51.396 tors. eta vs tors. theta energy: -133.182 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: 2 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1554.366319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.366319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.366319 (E_RNA) where: Base-Base interactions energy: -1136.459 where: short stacking energy: -446.992 Base-Backbone interact. energy: -0.621 local terms energy: -417.286288 where: bonds (distance) C4'-P energy: -71.565 bonds (distance) P-C4' energy: -66.893 flat angles C4'-P-C4' energy: -81.664 flat angles P-C4'-P energy: -65.013 tors. eta vs tors. theta energy: -132.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1480.255295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.255295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.255295 (E_RNA) where: Base-Base interactions energy: -1067.762 where: short stacking energy: -408.348 Base-Backbone interact. energy: -0.162 local terms energy: -412.331651 where: bonds (distance) C4'-P energy: -72.172 bonds (distance) P-C4' energy: -70.824 flat angles C4'-P-C4' energy: -86.980 flat angles P-C4'-P energy: -55.601 tors. eta vs tors. theta energy: -126.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1483.342298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.342298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.342298 (E_RNA) where: Base-Base interactions energy: -1078.839 where: short stacking energy: -410.542 Base-Backbone interact. energy: -0.570 local terms energy: -403.932797 where: bonds (distance) C4'-P energy: -78.640 bonds (distance) P-C4' energy: -70.041 flat angles C4'-P-C4' energy: -81.321 flat angles P-C4'-P energy: -52.031 tors. eta vs tors. theta energy: -121.900 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: 7 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1448.321841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.321841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.321841 (E_RNA) where: Base-Base interactions energy: -1055.237 where: short stacking energy: -400.150 Base-Backbone interact. energy: -0.132 local terms energy: -392.952963 where: bonds (distance) C4'-P energy: -68.414 bonds (distance) P-C4' energy: -79.723 flat angles C4'-P-C4' energy: -74.159 flat angles P-C4'-P energy: -46.472 tors. eta vs tors. theta energy: -124.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1394.153747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.153747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.153747 (E_RNA) where: Base-Base interactions energy: -1009.706 where: short stacking energy: -395.257 Base-Backbone interact. energy: -1.113 local terms energy: -383.333947 where: bonds (distance) C4'-P energy: -57.793 bonds (distance) P-C4' energy: -72.874 flat angles C4'-P-C4' energy: -81.887 flat angles P-C4'-P energy: -53.958 tors. eta vs tors. theta energy: -116.822 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: 8 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1287.871589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.871589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.871589 (E_RNA) where: Base-Base interactions energy: -936.028 where: short stacking energy: -370.793 Base-Backbone interact. energy: -0.721 local terms energy: -351.122799 where: bonds (distance) C4'-P energy: -49.463 bonds (distance) P-C4' energy: -60.013 flat angles C4'-P-C4' energy: -79.071 flat angles P-C4'-P energy: -53.978 tors. eta vs tors. theta energy: -108.598 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: 470 Temperature: 1.350000 Total energy: -1192.308821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.308821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.308821 (E_RNA) where: Base-Base interactions energy: -837.130 where: short stacking energy: -326.589 Base-Backbone interact. energy: 2.603 local terms energy: -357.781389 where: bonds (distance) C4'-P energy: -66.303 bonds (distance) P-C4' energy: -60.370 flat angles C4'-P-C4' energy: -82.068 flat angles P-C4'-P energy: -51.912 tors. eta vs tors. theta energy: -97.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1710.787615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.787615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.787615 (E_RNA) where: Base-Base interactions energy: -1236.562 where: short stacking energy: -485.691 Base-Backbone interact. energy: -0.472 local terms energy: -473.753267 where: bonds (distance) C4'-P energy: -81.995 bonds (distance) P-C4' energy: -78.972 flat angles C4'-P-C4' energy: -99.467 flat angles P-C4'-P energy: -68.099 tors. eta vs tors. theta energy: -145.221 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: 471 Temperature: 0.950000 Total energy: -1590.588122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.588122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.588122 (E_RNA) where: Base-Base interactions energy: -1160.831 where: short stacking energy: -449.978 Base-Backbone interact. energy: -0.180 local terms energy: -429.576841 where: bonds (distance) C4'-P energy: -76.937 bonds (distance) P-C4' energy: -67.228 flat angles C4'-P-C4' energy: -93.914 flat angles P-C4'-P energy: -58.039 tors. eta vs tors. theta energy: -133.459 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: 6 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1539.669049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.669049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.669049 (E_RNA) where: Base-Base interactions energy: -1135.824 where: short stacking energy: -444.580 Base-Backbone interact. energy: 2.689 local terms energy: -406.534261 where: bonds (distance) C4'-P energy: -67.933 bonds (distance) P-C4' energy: -66.314 flat angles C4'-P-C4' energy: -84.852 flat angles P-C4'-P energy: -60.646 tors. eta vs tors. theta energy: -126.789 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: 10 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1520.176402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.176402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.176402 (E_RNA) where: Base-Base interactions energy: -1098.011 where: short stacking energy: -436.301 Base-Backbone interact. energy: -0.437 local terms energy: -421.728772 where: bonds (distance) C4'-P energy: -65.171 bonds (distance) P-C4' energy: -75.352 flat angles C4'-P-C4' energy: -81.947 flat angles P-C4'-P energy: -59.952 tors. eta vs tors. theta energy: -139.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1521.600017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.600017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.600017 (E_RNA) where: Base-Base interactions energy: -1106.453 where: short stacking energy: -431.253 Base-Backbone interact. energy: 0.974 local terms energy: -416.121009 where: bonds (distance) C4'-P energy: -72.132 bonds (distance) P-C4' energy: -67.695 flat angles C4'-P-C4' energy: -87.471 flat angles P-C4'-P energy: -58.529 tors. eta vs tors. theta energy: -130.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1474.313434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.313434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.313434 (E_RNA) where: Base-Base interactions energy: -1090.463 where: short stacking energy: -421.447 Base-Backbone interact. energy: -0.549 local terms energy: -383.300975 where: bonds (distance) C4'-P energy: -59.266 bonds (distance) P-C4' energy: -59.594 flat angles C4'-P-C4' energy: -85.341 flat angles P-C4'-P energy: -55.882 tors. eta vs tors. theta energy: -123.217 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: 7, replica: 7 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1460.815579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.815579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.815579 (E_RNA) where: Base-Base interactions energy: -1088.461 where: short stacking energy: -409.041 Base-Backbone interact. energy: 0.869 local terms energy: -373.223706 where: bonds (distance) C4'-P energy: -71.570 bonds (distance) P-C4' energy: -66.919 flat angles C4'-P-C4' energy: -74.709 flat angles P-C4'-P energy: -41.526 tors. eta vs tors. theta energy: -118.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1399.317963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.317963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.317963 (E_RNA) where: Base-Base interactions energy: -1042.468 where: short stacking energy: -410.922 Base-Backbone interact. energy: 0.070 local terms energy: -356.920108 where: bonds (distance) C4'-P energy: -48.040 bonds (distance) P-C4' energy: -54.016 flat angles C4'-P-C4' energy: -80.717 flat angles P-C4'-P energy: -57.338 tors. eta vs tors. theta energy: -116.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1284.572039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.572039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.572039 (E_RNA) where: Base-Base interactions energy: -932.141 where: short stacking energy: -347.424 Base-Backbone interact. energy: 1.977 local terms energy: -354.407459 where: bonds (distance) C4'-P energy: -75.810 bonds (distance) P-C4' energy: -68.777 flat angles C4'-P-C4' energy: -65.176 flat angles P-C4'-P energy: -43.254 tors. eta vs tors. theta energy: -101.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -1129.655659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.655659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.655659 (E_RNA) where: Base-Base interactions energy: -810.817 where: short stacking energy: -324.372 Base-Backbone interact. energy: 1.223 local terms energy: -320.061259 where: bonds (distance) C4'-P energy: -55.269 bonds (distance) P-C4' energy: -64.052 flat angles C4'-P-C4' energy: -71.619 flat angles P-C4'-P energy: -39.719 tors. eta vs tors. theta energy: -89.402 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: 5 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1701.131158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.131158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.131158 (E_RNA) where: Base-Base interactions energy: -1255.118 where: short stacking energy: -493.953 Base-Backbone interact. energy: 0.088 local terms energy: -446.101500 where: bonds (distance) C4'-P energy: -68.503 bonds (distance) P-C4' energy: -74.092 flat angles C4'-P-C4' energy: -94.731 flat angles P-C4'-P energy: -63.649 tors. eta vs tors. theta energy: -145.127 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: 2, replica: 3 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1586.741359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.741359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.741359 (E_RNA) where: Base-Base interactions energy: -1150.859 where: short stacking energy: -447.932 Base-Backbone interact. energy: -0.501 local terms energy: -435.381221 where: bonds (distance) C4'-P energy: -76.964 bonds (distance) P-C4' energy: -73.465 flat angles C4'-P-C4' energy: -91.002 flat angles P-C4'-P energy: -64.450 tors. eta vs tors. theta energy: -129.501 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: 472 Temperature: 1.000000 Total energy: -1547.172840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.172840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.172840 (E_RNA) where: Base-Base interactions energy: -1139.712 where: short stacking energy: -429.938 Base-Backbone interact. energy: -1.469 local terms energy: -405.991513 where: bonds (distance) C4'-P energy: -64.660 bonds (distance) P-C4' energy: -68.994 flat angles C4'-P-C4' energy: -87.992 flat angles P-C4'-P energy: -54.066 tors. eta vs tors. theta energy: -130.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1496.783688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.783688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.783688 (E_RNA) where: Base-Base interactions energy: -1083.966 where: short stacking energy: -419.670 Base-Backbone interact. energy: -0.391 local terms energy: -412.426911 where: bonds (distance) C4'-P energy: -64.085 bonds (distance) P-C4' energy: -74.937 flat angles C4'-P-C4' energy: -88.779 flat angles P-C4'-P energy: -63.348 tors. eta vs tors. theta energy: -121.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1526.438513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.438513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.438513 (E_RNA) where: Base-Base interactions energy: -1114.692 where: short stacking energy: -439.925 Base-Backbone interact. energy: -0.113 local terms energy: -411.633272 where: bonds (distance) C4'-P energy: -69.050 bonds (distance) P-C4' energy: -68.782 flat angles C4'-P-C4' energy: -86.935 flat angles P-C4'-P energy: -52.055 tors. eta vs tors. theta energy: -134.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1497.648288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.648288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.648288 (E_RNA) where: Base-Base interactions energy: -1107.672 where: short stacking energy: -436.788 Base-Backbone interact. energy: -0.509 local terms energy: -389.467028 where: bonds (distance) C4'-P energy: -61.428 bonds (distance) P-C4' energy: -54.717 flat angles C4'-P-C4' energy: -85.237 flat angles P-C4'-P energy: -51.768 tors. eta vs tors. theta energy: -136.317 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: 7 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1416.350874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.350874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.350874 (E_RNA) where: Base-Base interactions energy: -1052.453 where: short stacking energy: -401.043 Base-Backbone interact. energy: 2.271 local terms energy: -366.169029 where: bonds (distance) C4'-P energy: -61.845 bonds (distance) P-C4' energy: -53.141 flat angles C4'-P-C4' energy: -81.961 flat angles P-C4'-P energy: -54.805 tors. eta vs tors. theta energy: -114.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1407.486379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.486379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.486379 (E_RNA) where: Base-Base interactions energy: -1023.997 where: short stacking energy: -388.173 Base-Backbone interact. energy: -0.263 local terms energy: -383.227189 where: bonds (distance) C4'-P energy: -63.477 bonds (distance) P-C4' energy: -68.637 flat angles C4'-P-C4' energy: -80.133 flat angles P-C4'-P energy: -59.273 tors. eta vs tors. theta energy: -111.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1299.833139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.833139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.833139 (E_RNA) where: Base-Base interactions energy: -954.041 where: short stacking energy: -373.898 Base-Backbone interact. energy: -0.510 local terms energy: -345.282666 where: bonds (distance) C4'-P energy: -59.734 bonds (distance) P-C4' energy: -72.586 flat angles C4'-P-C4' energy: -69.614 flat angles P-C4'-P energy: -44.150 tors. eta vs tors. theta energy: -99.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -1140.923407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.923407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.923407 (E_RNA) where: Base-Base interactions energy: -838.812 where: short stacking energy: -325.146 Base-Backbone interact. energy: 2.654 local terms energy: -304.765334 where: bonds (distance) C4'-P energy: -50.500 bonds (distance) P-C4' energy: -56.256 flat angles C4'-P-C4' energy: -68.431 flat angles P-C4'-P energy: -43.198 tors. eta vs tors. theta energy: -86.381 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: 473 Temperature: 0.900000 Total energy: -1705.718496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.718496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.718496 (E_RNA) where: Base-Base interactions energy: -1241.025 where: short stacking energy: -483.399 Base-Backbone interact. energy: -0.014 local terms energy: -464.679694 where: bonds (distance) C4'-P energy: -83.722 bonds (distance) P-C4' energy: -71.327 flat angles C4'-P-C4' energy: -95.236 flat angles P-C4'-P energy: -64.714 tors. eta vs tors. theta energy: -149.681 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: 473 Temperature: 0.950000 Total energy: -1592.365175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.365175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.365175 (E_RNA) where: Base-Base interactions energy: -1144.803 where: short stacking energy: -437.369 Base-Backbone interact. energy: -1.141 local terms energy: -446.421573 where: bonds (distance) C4'-P energy: -79.324 bonds (distance) P-C4' energy: -74.738 flat angles C4'-P-C4' energy: -91.759 flat angles P-C4'-P energy: -67.950 tors. eta vs tors. theta energy: -132.651 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: 3 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1563.305873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.305873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.305873 (E_RNA) where: Base-Base interactions energy: -1140.699 where: short stacking energy: -433.041 Base-Backbone interact. energy: 0.078 local terms energy: -422.684949 where: bonds (distance) C4'-P energy: -65.630 bonds (distance) P-C4' energy: -72.681 flat angles C4'-P-C4' energy: -89.639 flat angles P-C4'-P energy: -60.891 tors. eta vs tors. theta energy: -133.845 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: 4, replica: 2 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1548.257809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.257809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.257809 (E_RNA) where: Base-Base interactions energy: -1139.856 where: short stacking energy: -448.267 Base-Backbone interact. energy: -0.374 local terms energy: -408.027833 where: bonds (distance) C4'-P energy: -67.142 bonds (distance) P-C4' energy: -56.893 flat angles C4'-P-C4' energy: -88.172 flat angles P-C4'-P energy: -66.437 tors. eta vs tors. theta energy: -129.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1487.991182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.991182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.991182 (E_RNA) where: Base-Base interactions energy: -1070.006 where: short stacking energy: -422.572 Base-Backbone interact. energy: -0.039 local terms energy: -417.945811 where: bonds (distance) C4'-P energy: -63.091 bonds (distance) P-C4' energy: -66.364 flat angles C4'-P-C4' energy: -92.547 flat angles P-C4'-P energy: -68.194 tors. eta vs tors. theta energy: -127.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1493.109552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.109552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.109552 (E_RNA) where: Base-Base interactions energy: -1092.409 where: short stacking energy: -433.765 Base-Backbone interact. energy: -0.257 local terms energy: -400.443581 where: bonds (distance) C4'-P energy: -62.010 bonds (distance) P-C4' energy: -66.347 flat angles C4'-P-C4' energy: -81.648 flat angles P-C4'-P energy: -59.780 tors. eta vs tors. theta energy: -130.659 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: 7, replica: 7 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1400.892478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.892478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.892478 (E_RNA) where: Base-Base interactions energy: -1028.840 where: short stacking energy: -397.393 Base-Backbone interact. energy: 4.924 local terms energy: -376.976257 where: bonds (distance) C4'-P energy: -71.022 bonds (distance) P-C4' energy: -54.095 flat angles C4'-P-C4' energy: -87.454 flat angles P-C4'-P energy: -46.382 tors. eta vs tors. theta energy: -118.024 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: 9 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1423.266613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.266613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.266613 (E_RNA) where: Base-Base interactions energy: -1032.026 where: short stacking energy: -394.312 Base-Backbone interact. energy: 1.593 local terms energy: -392.833724 where: bonds (distance) C4'-P energy: -72.593 bonds (distance) P-C4' energy: -66.730 flat angles C4'-P-C4' energy: -85.579 flat angles P-C4'-P energy: -48.501 tors. eta vs tors. theta energy: -119.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1290.929095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.929095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.929095 (E_RNA) where: Base-Base interactions energy: -898.151 where: short stacking energy: -375.304 Base-Backbone interact. energy: -0.875 local terms energy: -391.903233 where: bonds (distance) C4'-P energy: -61.748 bonds (distance) P-C4' energy: -82.195 flat angles C4'-P-C4' energy: -86.937 flat angles P-C4'-P energy: -51.234 tors. eta vs tors. theta energy: -109.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -1212.826565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.826565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.826565 (E_RNA) where: Base-Base interactions energy: -874.888 where: short stacking energy: -354.267 Base-Backbone interact. energy: -0.770 local terms energy: -337.169071 where: bonds (distance) C4'-P energy: -56.091 bonds (distance) P-C4' energy: -60.747 flat angles C4'-P-C4' energy: -69.411 flat angles P-C4'-P energy: -53.053 tors. eta vs tors. theta energy: -97.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1709.755964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.755964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.755964 (E_RNA) where: Base-Base interactions energy: -1241.623 where: short stacking energy: -487.027 Base-Backbone interact. energy: 0.169 local terms energy: -468.301537 where: bonds (distance) C4'-P energy: -83.365 bonds (distance) P-C4' energy: -73.675 flat angles C4'-P-C4' energy: -96.492 flat angles P-C4'-P energy: -64.013 tors. eta vs tors. theta energy: -150.756 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: 6 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1585.950597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.950597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.950597 (E_RNA) where: Base-Base interactions energy: -1160.744 where: short stacking energy: -446.629 Base-Backbone interact. energy: 0.359 local terms energy: -425.565432 where: bonds (distance) C4'-P energy: -67.908 bonds (distance) P-C4' energy: -75.503 flat angles C4'-P-C4' energy: -86.932 flat angles P-C4'-P energy: -57.544 tors. eta vs tors. theta energy: -137.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1577.408611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.408611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.408611 (E_RNA) where: Base-Base interactions energy: -1140.667 where: short stacking energy: -454.132 Base-Backbone interact. energy: -0.444 local terms energy: -436.298258 where: bonds (distance) C4'-P energy: -67.724 bonds (distance) P-C4' energy: -75.129 flat angles C4'-P-C4' energy: -92.010 flat angles P-C4'-P energy: -65.632 tors. eta vs tors. theta energy: -135.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1551.483402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.483402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.483402 (E_RNA) where: Base-Base interactions energy: -1145.889 where: short stacking energy: -430.261 Base-Backbone interact. energy: 0.969 local terms energy: -406.564003 where: bonds (distance) C4'-P energy: -69.032 bonds (distance) P-C4' energy: -84.139 flat angles C4'-P-C4' energy: -76.950 flat angles P-C4'-P energy: -46.787 tors. eta vs tors. theta energy: -129.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1518.173516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.173516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.173516 (E_RNA) where: Base-Base interactions energy: -1114.139 where: short stacking energy: -445.632 Base-Backbone interact. energy: -0.347 local terms energy: -403.686965 where: bonds (distance) C4'-P energy: -61.839 bonds (distance) P-C4' energy: -68.587 flat angles C4'-P-C4' energy: -87.444 flat angles P-C4'-P energy: -52.652 tors. eta vs tors. theta energy: -133.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1468.796436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.796436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.796436 (E_RNA) where: Base-Base interactions energy: -1048.792 where: short stacking energy: -407.391 Base-Backbone interact. energy: -2.109 local terms energy: -417.895568 where: bonds (distance) C4'-P energy: -76.100 bonds (distance) P-C4' energy: -70.596 flat angles C4'-P-C4' energy: -84.025 flat angles P-C4'-P energy: -62.396 tors. eta vs tors. theta energy: -124.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1398.966765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.966765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.966765 (E_RNA) where: Base-Base interactions energy: -1009.457 where: short stacking energy: -388.626 Base-Backbone interact. energy: 3.164 local terms energy: -392.674341 where: bonds (distance) C4'-P energy: -66.743 bonds (distance) P-C4' energy: -67.154 flat angles C4'-P-C4' energy: -78.549 flat angles P-C4'-P energy: -63.054 tors. eta vs tors. theta energy: -117.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1410.768731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.768731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.768731 (E_RNA) where: Base-Base interactions energy: -1032.665 where: short stacking energy: -399.714 Base-Backbone interact. energy: -0.130 local terms energy: -377.974048 where: bonds (distance) C4'-P energy: -60.355 bonds (distance) P-C4' energy: -61.839 flat angles C4'-P-C4' energy: -81.679 flat angles P-C4'-P energy: -58.954 tors. eta vs tors. theta energy: -115.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1241.355216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.355216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.355216 (E_RNA) where: Base-Base interactions energy: -921.721 where: short stacking energy: -364.344 Base-Backbone interact. energy: -0.923 local terms energy: -318.711240 where: bonds (distance) C4'-P energy: -58.716 bonds (distance) P-C4' energy: -47.216 flat angles C4'-P-C4' energy: -58.280 flat angles P-C4'-P energy: -47.711 tors. eta vs tors. theta energy: -106.788 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: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -1234.006679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.006679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.006679 (E_RNA) where: Base-Base interactions energy: -879.540 where: short stacking energy: -358.517 Base-Backbone interact. energy: -1.099 local terms energy: -353.367922 where: bonds (distance) C4'-P energy: -61.792 bonds (distance) P-C4' energy: -63.952 flat angles C4'-P-C4' energy: -72.294 flat angles P-C4'-P energy: -52.344 tors. eta vs tors. theta energy: -102.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1721.782332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.782332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.782332 (E_RNA) where: Base-Base interactions energy: -1268.926 where: short stacking energy: -498.981 Base-Backbone interact. energy: -0.048 local terms energy: -452.808801 where: bonds (distance) C4'-P energy: -75.875 bonds (distance) P-C4' energy: -73.487 flat angles C4'-P-C4' energy: -87.853 flat angles P-C4'-P energy: -67.562 tors. eta vs tors. theta energy: -148.031 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: 2 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1597.327392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.327392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.327392 (E_RNA) where: Base-Base interactions energy: -1159.649 where: short stacking energy: -456.383 Base-Backbone interact. energy: -1.013 local terms energy: -436.666302 where: bonds (distance) C4'-P energy: -71.003 bonds (distance) P-C4' energy: -70.040 flat angles C4'-P-C4' energy: -95.642 flat angles P-C4'-P energy: -63.361 tors. eta vs tors. theta energy: -136.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1552.047034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.047034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.047034 (E_RNA) where: Base-Base interactions energy: -1131.958 where: short stacking energy: -440.358 Base-Backbone interact. energy: -0.055 local terms energy: -420.034457 where: bonds (distance) C4'-P energy: -69.511 bonds (distance) P-C4' energy: -74.854 flat angles C4'-P-C4' energy: -89.170 flat angles P-C4'-P energy: -56.086 tors. eta vs tors. theta energy: -130.413 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: 3 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1525.053654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.053654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.053654 (E_RNA) where: Base-Base interactions energy: -1110.272 where: short stacking energy: -430.334 Base-Backbone interact. energy: 2.054 local terms energy: -416.835654 where: bonds (distance) C4'-P energy: -59.391 bonds (distance) P-C4' energy: -76.472 flat angles C4'-P-C4' energy: -88.054 flat angles P-C4'-P energy: -61.459 tors. eta vs tors. theta energy: -131.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1513.676835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.676835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.676835 (E_RNA) where: Base-Base interactions energy: -1094.574 where: short stacking energy: -424.394 Base-Backbone interact. energy: 2.114 local terms energy: -421.216772 where: bonds (distance) C4'-P energy: -64.252 bonds (distance) P-C4' energy: -76.867 flat angles C4'-P-C4' energy: -82.613 flat angles P-C4'-P energy: -66.389 tors. eta vs tors. theta energy: -131.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1456.501372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.501372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.501372 (E_RNA) where: Base-Base interactions energy: -1048.447 where: short stacking energy: -411.196 Base-Backbone interact. energy: -0.052 local terms energy: -408.002268 where: bonds (distance) C4'-P energy: -70.820 bonds (distance) P-C4' energy: -71.544 flat angles C4'-P-C4' energy: -86.121 flat angles P-C4'-P energy: -54.865 tors. eta vs tors. theta energy: -124.653 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: 7 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1426.106022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.106022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.106022 (E_RNA) where: Base-Base interactions energy: -1056.852 where: short stacking energy: -391.240 Base-Backbone interact. energy: 1.656 local terms energy: -370.910001 where: bonds (distance) C4'-P energy: -63.237 bonds (distance) P-C4' energy: -70.226 flat angles C4'-P-C4' energy: -76.749 flat angles P-C4'-P energy: -46.056 tors. eta vs tors. theta energy: -114.641 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: 8, replica: 9 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1406.224825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.224825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.224825 (E_RNA) where: Base-Base interactions energy: -1026.975 where: short stacking energy: -397.451 Base-Backbone interact. energy: 0.348 local terms energy: -379.597150 where: bonds (distance) C4'-P energy: -59.704 bonds (distance) P-C4' energy: -59.181 flat angles C4'-P-C4' energy: -83.266 flat angles P-C4'-P energy: -51.825 tors. eta vs tors. theta energy: -125.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1159.324326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.324326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.324326 (E_RNA) where: Base-Base interactions energy: -823.310 where: short stacking energy: -323.733 Base-Backbone interact. energy: -0.673 local terms energy: -335.340636 where: bonds (distance) C4'-P energy: -62.497 bonds (distance) P-C4' energy: -60.383 flat angles C4'-P-C4' energy: -75.367 flat angles P-C4'-P energy: -46.530 tors. eta vs tors. theta energy: -90.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -1171.527054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.527054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.527054 (E_RNA) where: Base-Base interactions energy: -847.450 where: short stacking energy: -340.694 Base-Backbone interact. energy: 0.709 local terms energy: -324.786247 where: bonds (distance) C4'-P energy: -59.031 bonds (distance) P-C4' energy: -48.998 flat angles C4'-P-C4' energy: -74.827 flat angles P-C4'-P energy: -45.835 tors. eta vs tors. theta energy: -96.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1711.064009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.064009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.064009 (E_RNA) where: Base-Base interactions energy: -1249.152 where: short stacking energy: -493.958 Base-Backbone interact. energy: 0.441 local terms energy: -462.352775 where: bonds (distance) C4'-P energy: -80.369 bonds (distance) P-C4' energy: -78.066 flat angles C4'-P-C4' energy: -90.347 flat angles P-C4'-P energy: -67.940 tors. eta vs tors. theta energy: -145.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1584.896564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.896564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.896564 (E_RNA) where: Base-Base interactions energy: -1139.832 where: short stacking energy: -448.473 Base-Backbone interact. energy: -1.831 local terms energy: -443.233686 where: bonds (distance) C4'-P energy: -73.743 bonds (distance) P-C4' energy: -78.948 flat angles C4'-P-C4' energy: -88.663 flat angles P-C4'-P energy: -63.176 tors. eta vs tors. theta energy: -138.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1555.808165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.808165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.808165 (E_RNA) where: Base-Base interactions energy: -1128.102 where: short stacking energy: -424.328 Base-Backbone interact. energy: -0.942 local terms energy: -426.764559 where: bonds (distance) C4'-P energy: -76.036 bonds (distance) P-C4' energy: -73.135 flat angles C4'-P-C4' energy: -90.360 flat angles P-C4'-P energy: -64.110 tors. eta vs tors. theta energy: -123.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1534.826401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.826401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.826401 (E_RNA) where: Base-Base interactions energy: -1115.335 where: short stacking energy: -430.501 Base-Backbone interact. energy: 3.312 local terms energy: -422.803660 where: bonds (distance) C4'-P energy: -67.708 bonds (distance) P-C4' energy: -78.933 flat angles C4'-P-C4' energy: -79.999 flat angles P-C4'-P energy: -68.033 tors. eta vs tors. theta energy: -128.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1537.858476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.858476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.858476 (E_RNA) where: Base-Base interactions energy: -1108.343 where: short stacking energy: -433.908 Base-Backbone interact. energy: -0.123 local terms energy: -429.392833 where: bonds (distance) C4'-P energy: -73.081 bonds (distance) P-C4' energy: -67.759 flat angles C4'-P-C4' energy: -86.401 flat angles P-C4'-P energy: -65.351 tors. eta vs tors. theta energy: -136.802 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: 10 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1470.700698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.700698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.700698 (E_RNA) where: Base-Base interactions energy: -1078.511 where: short stacking energy: -425.424 Base-Backbone interact. energy: -0.484 local terms energy: -391.705330 where: bonds (distance) C4'-P energy: -66.633 bonds (distance) P-C4' energy: -58.934 flat angles C4'-P-C4' energy: -84.763 flat angles P-C4'-P energy: -63.163 tors. eta vs tors. theta energy: -118.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1418.434962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.434962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.434962 (E_RNA) where: Base-Base interactions energy: -1037.172 where: short stacking energy: -393.197 Base-Backbone interact. energy: -0.413 local terms energy: -380.850424 where: bonds (distance) C4'-P energy: -60.486 bonds (distance) P-C4' energy: -68.578 flat angles C4'-P-C4' energy: -80.454 flat angles P-C4'-P energy: -56.204 tors. eta vs tors. theta energy: -115.128 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: 9 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1389.499018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.499018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.499018 (E_RNA) where: Base-Base interactions energy: -1019.487 where: short stacking energy: -395.003 Base-Backbone interact. energy: -0.253 local terms energy: -369.759424 where: bonds (distance) C4'-P energy: -63.698 bonds (distance) P-C4' energy: -52.766 flat angles C4'-P-C4' energy: -75.868 flat angles P-C4'-P energy: -59.394 tors. eta vs tors. theta energy: -118.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1225.106376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.106376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.106376 (E_RNA) where: Base-Base interactions energy: -876.614 where: short stacking energy: -347.878 Base-Backbone interact. energy: -1.432 local terms energy: -347.060620 where: bonds (distance) C4'-P energy: -60.941 bonds (distance) P-C4' energy: -63.773 flat angles C4'-P-C4' energy: -76.058 flat angles P-C4'-P energy: -44.238 tors. eta vs tors. theta energy: -102.050 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: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -1163.682918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.682918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.682918 (E_RNA) where: Base-Base interactions energy: -837.101 where: short stacking energy: -331.173 Base-Backbone interact. energy: -0.589 local terms energy: -325.992303 where: bonds (distance) C4'-P energy: -55.665 bonds (distance) P-C4' energy: -55.111 flat angles C4'-P-C4' energy: -73.240 flat angles P-C4'-P energy: -53.803 tors. eta vs tors. theta energy: -88.173 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: 5 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1712.094011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.094011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.094011 (E_RNA) where: Base-Base interactions energy: -1265.946 where: short stacking energy: -491.225 Base-Backbone interact. energy: -0.064 local terms energy: -446.083990 where: bonds (distance) C4'-P energy: -72.369 bonds (distance) P-C4' energy: -76.480 flat angles C4'-P-C4' energy: -91.116 flat angles P-C4'-P energy: -59.337 tors. eta vs tors. theta energy: -146.781 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: 477 Temperature: 0.950000 Total energy: -1601.585982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.585982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.585982 (E_RNA) where: Base-Base interactions energy: -1158.259 where: short stacking energy: -450.354 Base-Backbone interact. energy: -0.312 local terms energy: -443.015089 where: bonds (distance) C4'-P energy: -71.058 bonds (distance) P-C4' energy: -79.017 flat angles C4'-P-C4' energy: -97.069 flat angles P-C4'-P energy: -59.114 tors. eta vs tors. theta energy: -136.757 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: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1571.599354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.599354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.599354 (E_RNA) where: Base-Base interactions energy: -1159.457 where: short stacking energy: -437.030 Base-Backbone interact. energy: 0.185 local terms energy: -412.326788 where: bonds (distance) C4'-P energy: -70.333 bonds (distance) P-C4' energy: -68.327 flat angles C4'-P-C4' energy: -82.277 flat angles P-C4'-P energy: -65.398 tors. eta vs tors. theta energy: -125.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1559.449664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.449664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.449664 (E_RNA) where: Base-Base interactions energy: -1151.478 where: short stacking energy: -459.853 Base-Backbone interact. energy: -0.565 local terms energy: -407.406730 where: bonds (distance) C4'-P energy: -59.531 bonds (distance) P-C4' energy: -59.027 flat angles C4'-P-C4' energy: -96.835 flat angles P-C4'-P energy: -56.247 tors. eta vs tors. theta energy: -135.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1511.052276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.052276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.052276 (E_RNA) where: Base-Base interactions energy: -1107.139 where: short stacking energy: -429.915 Base-Backbone interact. energy: 2.859 local terms energy: -406.772313 where: bonds (distance) C4'-P energy: -72.070 bonds (distance) P-C4' energy: -73.221 flat angles C4'-P-C4' energy: -82.345 flat angles P-C4'-P energy: -49.078 tors. eta vs tors. theta energy: -130.058 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: 10 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1452.521301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.521301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.521301 (E_RNA) where: Base-Base interactions energy: -1053.699 where: short stacking energy: -411.690 Base-Backbone interact. energy: 0.076 local terms energy: -398.897565 where: bonds (distance) C4'-P energy: -65.561 bonds (distance) P-C4' energy: -65.237 flat angles C4'-P-C4' energy: -84.559 flat angles P-C4'-P energy: -60.131 tors. eta vs tors. theta energy: -123.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1399.125394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.125394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.125394 (E_RNA) where: Base-Base interactions energy: -1047.725 where: short stacking energy: -394.561 Base-Backbone interact. energy: 1.673 local terms energy: -353.073520 where: bonds (distance) C4'-P energy: -51.841 bonds (distance) P-C4' energy: -63.409 flat angles C4'-P-C4' energy: -73.284 flat angles P-C4'-P energy: -48.536 tors. eta vs tors. theta energy: -116.002 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: 8, replica: 9 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1375.956878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.956878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.956878 (E_RNA) where: Base-Base interactions energy: -1031.067 where: short stacking energy: -389.199 Base-Backbone interact. energy: -0.866 local terms energy: -344.023779 where: bonds (distance) C4'-P energy: -63.183 bonds (distance) P-C4' energy: -53.355 flat angles C4'-P-C4' energy: -68.170 flat angles P-C4'-P energy: -54.263 tors. eta vs tors. theta energy: -105.052 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: 4 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1206.633885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.633885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.633885 (E_RNA) where: Base-Base interactions energy: -846.712 where: short stacking energy: -330.484 Base-Backbone interact. energy: 0.600 local terms energy: -360.521672 where: bonds (distance) C4'-P energy: -54.644 bonds (distance) P-C4' energy: -71.629 flat angles C4'-P-C4' energy: -82.414 flat angles P-C4'-P energy: -62.660 tors. eta vs tors. theta energy: -89.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -1179.317565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.317565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.317565 (E_RNA) where: Base-Base interactions energy: -836.677 where: short stacking energy: -327.808 Base-Backbone interact. energy: -0.252 local terms energy: -342.388273 where: bonds (distance) C4'-P energy: -64.800 bonds (distance) P-C4' energy: -61.229 flat angles C4'-P-C4' energy: -75.432 flat angles P-C4'-P energy: -47.022 tors. eta vs tors. theta energy: -93.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1696.519235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.519235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.519235 (E_RNA) where: Base-Base interactions energy: -1253.041 where: short stacking energy: -492.963 Base-Backbone interact. energy: -0.050 local terms energy: -443.428137 where: bonds (distance) C4'-P energy: -66.338 bonds (distance) P-C4' energy: -66.672 flat angles C4'-P-C4' energy: -86.843 flat angles P-C4'-P energy: -70.065 tors. eta vs tors. theta energy: -153.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1592.461698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.461698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.461698 (E_RNA) where: Base-Base interactions energy: -1156.287 where: short stacking energy: -444.679 Base-Backbone interact. energy: -0.788 local terms energy: -435.386717 where: bonds (distance) C4'-P energy: -76.795 bonds (distance) P-C4' energy: -69.934 flat angles C4'-P-C4' energy: -90.834 flat angles P-C4'-P energy: -57.037 tors. eta vs tors. theta energy: -140.787 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: 478 Temperature: 1.000000 Total energy: -1583.380845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.380845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.380845 (E_RNA) where: Base-Base interactions energy: -1167.528 where: short stacking energy: -465.499 Base-Backbone interact. energy: -0.259 local terms energy: -415.593995 where: bonds (distance) C4'-P energy: -62.065 bonds (distance) P-C4' energy: -65.924 flat angles C4'-P-C4' energy: -90.604 flat angles P-C4'-P energy: -63.989 tors. eta vs tors. theta energy: -133.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1534.748929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.748929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.748929 (E_RNA) where: Base-Base interactions energy: -1117.957 where: short stacking energy: -433.756 Base-Backbone interact. energy: 1.324 local terms energy: -418.115118 where: bonds (distance) C4'-P energy: -59.058 bonds (distance) P-C4' energy: -77.217 flat angles C4'-P-C4' energy: -83.779 flat angles P-C4'-P energy: -70.360 tors. eta vs tors. theta energy: -127.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1510.011372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.011372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.011372 (E_RNA) where: Base-Base interactions energy: -1100.937 where: short stacking energy: -429.662 Base-Backbone interact. energy: 1.481 local terms energy: -410.555234 where: bonds (distance) C4'-P energy: -59.040 bonds (distance) P-C4' energy: -74.538 flat angles C4'-P-C4' energy: -89.852 flat angles P-C4'-P energy: -61.328 tors. eta vs tors. theta energy: -125.797 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: 478 Temperature: 1.150000 Total energy: -1463.764082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.764082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.764082 (E_RNA) where: Base-Base interactions energy: -1057.527 where: short stacking energy: -419.476 Base-Backbone interact. energy: -0.276 local terms energy: -405.961280 where: bonds (distance) C4'-P energy: -78.995 bonds (distance) P-C4' energy: -75.282 flat angles C4'-P-C4' energy: -82.545 flat angles P-C4'-P energy: -42.767 tors. eta vs tors. theta energy: -126.374 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: 9 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1428.667714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.667714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.667714 (E_RNA) where: Base-Base interactions energy: -1029.715 where: short stacking energy: -404.481 Base-Backbone interact. energy: 0.061 local terms energy: -399.013665 where: bonds (distance) C4'-P energy: -65.003 bonds (distance) P-C4' energy: -53.039 flat angles C4'-P-C4' energy: -89.302 flat angles P-C4'-P energy: -68.572 tors. eta vs tors. theta energy: -123.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1373.778429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.778429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.778429 (E_RNA) where: Base-Base interactions energy: -990.274 where: short stacking energy: -380.368 Base-Backbone interact. energy: -0.160 local terms energy: -383.345205 where: bonds (distance) C4'-P energy: -68.604 bonds (distance) P-C4' energy: -69.084 flat angles C4'-P-C4' energy: -75.604 flat angles P-C4'-P energy: -54.607 tors. eta vs tors. theta energy: -115.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1207.316591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.316591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.316591 (E_RNA) where: Base-Base interactions energy: -864.785 where: short stacking energy: -338.334 Base-Backbone interact. energy: 0.992 local terms energy: -343.523552 where: bonds (distance) C4'-P energy: -65.190 bonds (distance) P-C4' energy: -59.329 flat angles C4'-P-C4' energy: -75.351 flat angles P-C4'-P energy: -48.995 tors. eta vs tors. theta energy: -94.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -1262.062260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.062260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.062260 (E_RNA) where: Base-Base interactions energy: -892.984 where: short stacking energy: -346.711 Base-Backbone interact. energy: -1.035 local terms energy: -368.042935 where: bonds (distance) C4'-P energy: -60.107 bonds (distance) P-C4' energy: -64.503 flat angles C4'-P-C4' energy: -71.639 flat angles P-C4'-P energy: -58.082 tors. eta vs tors. theta energy: -113.712 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: 1, replica: 5 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1695.079928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.079928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.079928 (E_RNA) where: Base-Base interactions energy: -1229.772 where: short stacking energy: -478.188 Base-Backbone interact. energy: -0.058 local terms energy: -465.249729 where: bonds (distance) C4'-P energy: -79.975 bonds (distance) P-C4' energy: -75.591 flat angles C4'-P-C4' energy: -95.502 flat angles P-C4'-P energy: -64.331 tors. eta vs tors. theta energy: -149.850 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: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1601.051823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.051823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.051823 (E_RNA) where: Base-Base interactions energy: -1162.545 where: short stacking energy: -455.862 Base-Backbone interact. energy: -1.098 local terms energy: -437.408475 where: bonds (distance) C4'-P energy: -75.256 bonds (distance) P-C4' energy: -69.624 flat angles C4'-P-C4' energy: -89.236 flat angles P-C4'-P energy: -67.921 tors. eta vs tors. theta energy: -135.371 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: 3, replica: 1 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1580.301463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.301463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.301463 (E_RNA) where: Base-Base interactions energy: -1151.367 where: short stacking energy: -456.759 Base-Backbone interact. energy: -0.652 local terms energy: -428.282942 where: bonds (distance) C4'-P energy: -76.871 bonds (distance) P-C4' energy: -78.029 flat angles C4'-P-C4' energy: -84.681 flat angles P-C4'-P energy: -52.963 tors. eta vs tors. theta energy: -135.740 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: 6 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1538.990018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.990018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.990018 (E_RNA) where: Base-Base interactions energy: -1117.811 where: short stacking energy: -432.281 Base-Backbone interact. energy: 0.859 local terms energy: -422.038728 where: bonds (distance) C4'-P energy: -66.909 bonds (distance) P-C4' energy: -76.440 flat angles C4'-P-C4' energy: -85.142 flat angles P-C4'-P energy: -63.745 tors. eta vs tors. theta energy: -129.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1497.444397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.444397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.444397 (E_RNA) where: Base-Base interactions energy: -1106.199 where: short stacking energy: -425.053 Base-Backbone interact. energy: 1.978 local terms energy: -393.222635 where: bonds (distance) C4'-P energy: -70.694 bonds (distance) P-C4' energy: -50.403 flat angles C4'-P-C4' energy: -86.610 flat angles P-C4'-P energy: -60.212 tors. eta vs tors. theta energy: -125.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1467.601952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.601952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.601952 (E_RNA) where: Base-Base interactions energy: -1068.912 where: short stacking energy: -436.417 Base-Backbone interact. energy: -0.365 local terms energy: -398.325342 where: bonds (distance) C4'-P energy: -55.057 bonds (distance) P-C4' energy: -69.302 flat angles C4'-P-C4' energy: -92.895 flat angles P-C4'-P energy: -58.019 tors. eta vs tors. theta energy: -123.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1403.346622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.346622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.346622 (E_RNA) where: Base-Base interactions energy: -1023.801 where: short stacking energy: -392.672 Base-Backbone interact. energy: -0.012 local terms energy: -379.533939 where: bonds (distance) C4'-P energy: -62.266 bonds (distance) P-C4' energy: -63.712 flat angles C4'-P-C4' energy: -79.076 flat angles P-C4'-P energy: -54.072 tors. eta vs tors. theta energy: -120.407 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: 7 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1373.739426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.739426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.739426 (E_RNA) where: Base-Base interactions energy: -990.276 where: short stacking energy: -378.000 Base-Backbone interact. energy: -2.749 local terms energy: -380.714994 where: bonds (distance) C4'-P energy: -75.043 bonds (distance) P-C4' energy: -58.754 flat angles C4'-P-C4' energy: -80.088 flat angles P-C4'-P energy: -52.400 tors. eta vs tors. theta energy: -114.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1235.095251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.095251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.095251 (E_RNA) where: Base-Base interactions energy: -910.071 where: short stacking energy: -363.573 Base-Backbone interact. energy: -0.601 local terms energy: -324.423939 where: bonds (distance) C4'-P energy: -47.408 bonds (distance) P-C4' energy: -54.516 flat angles C4'-P-C4' energy: -82.388 flat angles P-C4'-P energy: -43.281 tors. eta vs tors. theta energy: -96.830 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: 4 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -1236.534793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.534793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.534793 (E_RNA) where: Base-Base interactions energy: -883.511 where: short stacking energy: -360.453 Base-Backbone interact. energy: 0.161 local terms energy: -353.185227 where: bonds (distance) C4'-P energy: -65.535 bonds (distance) P-C4' energy: -62.088 flat angles C4'-P-C4' energy: -72.900 flat angles P-C4'-P energy: -41.693 tors. eta vs tors. theta energy: -110.969 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: 1, replica: 5 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1705.429274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.429274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.429274 (E_RNA) where: Base-Base interactions energy: -1246.333 where: short stacking energy: -492.290 Base-Backbone interact. energy: -0.086 local terms energy: -459.009498 where: bonds (distance) C4'-P energy: -81.533 bonds (distance) P-C4' energy: -69.482 flat angles C4'-P-C4' energy: -91.417 flat angles P-C4'-P energy: -66.021 tors. eta vs tors. theta energy: -150.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1604.666573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.666573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.666573 (E_RNA) where: Base-Base interactions energy: -1182.535 where: short stacking energy: -456.418 Base-Backbone interact. energy: -1.870 local terms energy: -420.261900 where: bonds (distance) C4'-P energy: -64.963 bonds (distance) P-C4' energy: -70.661 flat angles C4'-P-C4' energy: -93.723 flat angles P-C4'-P energy: -53.152 tors. eta vs tors. theta energy: -137.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1573.592907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.592907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.592907 (E_RNA) where: Base-Base interactions energy: -1141.805 where: short stacking energy: -448.299 Base-Backbone interact. energy: 0.706 local terms energy: -432.494026 where: bonds (distance) C4'-P energy: -75.094 bonds (distance) P-C4' energy: -67.807 flat angles C4'-P-C4' energy: -90.220 flat angles P-C4'-P energy: -65.552 tors. eta vs tors. theta energy: -133.821 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: 6 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1550.637073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.637073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.637073 (E_RNA) where: Base-Base interactions energy: -1142.884 where: short stacking energy: -450.342 Base-Backbone interact. energy: 5.749 local terms energy: -413.501463 where: bonds (distance) C4'-P energy: -65.993 bonds (distance) P-C4' energy: -57.111 flat angles C4'-P-C4' energy: -92.990 flat angles P-C4'-P energy: -61.559 tors. eta vs tors. theta energy: -135.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1516.632726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.632726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.632726 (E_RNA) where: Base-Base interactions energy: -1098.640 where: short stacking energy: -427.338 Base-Backbone interact. energy: -0.998 local terms energy: -416.995481 where: bonds (distance) C4'-P energy: -71.503 bonds (distance) P-C4' energy: -70.904 flat angles C4'-P-C4' energy: -83.695 flat angles P-C4'-P energy: -59.993 tors. eta vs tors. theta energy: -130.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1451.224529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.224529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.224529 (E_RNA) where: Base-Base interactions energy: -1049.514 where: short stacking energy: -414.509 Base-Backbone interact. energy: -0.430 local terms energy: -401.280621 where: bonds (distance) C4'-P energy: -64.267 bonds (distance) P-C4' energy: -63.128 flat angles C4'-P-C4' energy: -77.696 flat angles P-C4'-P energy: -66.253 tors. eta vs tors. theta energy: -129.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1440.847256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.847256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.847256 (E_RNA) where: Base-Base interactions energy: -1047.166 where: short stacking energy: -408.223 Base-Backbone interact. energy: -0.749 local terms energy: -392.932920 where: bonds (distance) C4'-P energy: -70.025 bonds (distance) P-C4' energy: -70.291 flat angles C4'-P-C4' energy: -78.903 flat angles P-C4'-P energy: -48.239 tors. eta vs tors. theta energy: -125.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1368.143566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.143566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.143566 (E_RNA) where: Base-Base interactions energy: -993.835 where: short stacking energy: -389.584 Base-Backbone interact. energy: 0.591 local terms energy: -374.899786 where: bonds (distance) C4'-P energy: -61.703 bonds (distance) P-C4' energy: -63.053 flat angles C4'-P-C4' energy: -79.528 flat angles P-C4'-P energy: -51.872 tors. eta vs tors. theta energy: -118.743 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: 8 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1239.437356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.437356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.437356 (E_RNA) where: Base-Base interactions energy: -892.948 where: short stacking energy: -353.094 Base-Backbone interact. energy: 4.445 local terms energy: -350.933845 where: bonds (distance) C4'-P energy: -59.402 bonds (distance) P-C4' energy: -58.383 flat angles C4'-P-C4' energy: -77.030 flat angles P-C4'-P energy: -56.596 tors. eta vs tors. theta energy: -99.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -1183.523017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.523017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.523017 (E_RNA) where: Base-Base interactions energy: -851.900 where: short stacking energy: -323.848 Base-Backbone interact. energy: 0.579 local terms energy: -332.201834 where: bonds (distance) C4'-P energy: -45.699 bonds (distance) P-C4' energy: -60.944 flat angles C4'-P-C4' energy: -74.030 flat angles P-C4'-P energy: -49.771 tors. eta vs tors. theta energy: -101.757 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: 5 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1701.522025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.522025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.522025 (E_RNA) where: Base-Base interactions energy: -1248.943 where: short stacking energy: -478.539 Base-Backbone interact. energy: 1.129 local terms energy: -453.707847 where: bonds (distance) C4'-P energy: -66.200 bonds (distance) P-C4' energy: -81.352 flat angles C4'-P-C4' energy: -98.450 flat angles P-C4'-P energy: -61.990 tors. eta vs tors. theta energy: -145.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1595.377706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.377706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.377706 (E_RNA) where: Base-Base interactions energy: -1159.925 where: short stacking energy: -450.657 Base-Backbone interact. energy: 0.209 local terms energy: -435.661622 where: bonds (distance) C4'-P energy: -63.806 bonds (distance) P-C4' energy: -78.453 flat angles C4'-P-C4' energy: -95.340 flat angles P-C4'-P energy: -66.996 tors. eta vs tors. theta energy: -131.067 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: 481 Temperature: 1.000000 Total energy: -1583.005834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.005834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.005834 (E_RNA) where: Base-Base interactions energy: -1144.321 where: short stacking energy: -452.594 Base-Backbone interact. energy: -0.103 local terms energy: -438.582199 where: bonds (distance) C4'-P energy: -74.148 bonds (distance) P-C4' energy: -76.570 flat angles C4'-P-C4' energy: -92.251 flat angles P-C4'-P energy: -62.271 tors. eta vs tors. theta energy: -133.344 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: 4, replica: 6 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1552.344807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.344807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.344807 (E_RNA) where: Base-Base interactions energy: -1113.011 where: short stacking energy: -433.860 Base-Backbone interact. energy: -0.192 local terms energy: -439.141499 where: bonds (distance) C4'-P energy: -71.637 bonds (distance) P-C4' energy: -80.422 flat angles C4'-P-C4' energy: -91.878 flat angles P-C4'-P energy: -59.109 tors. eta vs tors. theta energy: -136.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1489.365717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.365717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.365717 (E_RNA) where: Base-Base interactions energy: -1105.168 where: short stacking energy: -433.110 Base-Backbone interact. energy: -1.364 local terms energy: -382.833640 where: bonds (distance) C4'-P energy: -77.972 bonds (distance) P-C4' energy: -50.917 flat angles C4'-P-C4' energy: -79.196 flat angles P-C4'-P energy: -52.146 tors. eta vs tors. theta energy: -122.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1457.857681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.857681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.857681 (E_RNA) where: Base-Base interactions energy: -1062.963 where: short stacking energy: -420.137 Base-Backbone interact. energy: -0.301 local terms energy: -394.593433 where: bonds (distance) C4'-P energy: -69.637 bonds (distance) P-C4' energy: -71.557 flat angles C4'-P-C4' energy: -74.752 flat angles P-C4'-P energy: -47.034 tors. eta vs tors. theta energy: -131.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1438.567679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.567679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.567679 (E_RNA) where: Base-Base interactions energy: -1063.568 where: short stacking energy: -428.939 Base-Backbone interact. energy: -2.121 local terms energy: -372.878587 where: bonds (distance) C4'-P energy: -50.413 bonds (distance) P-C4' energy: -68.595 flat angles C4'-P-C4' energy: -77.008 flat angles P-C4'-P energy: -50.163 tors. eta vs tors. theta energy: -126.699 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: 8 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1280.090707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.090707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.090707 (E_RNA) where: Base-Base interactions energy: -912.283 where: short stacking energy: -364.446 Base-Backbone interact. energy: -0.819 local terms energy: -366.988932 where: bonds (distance) C4'-P energy: -73.149 bonds (distance) P-C4' energy: -76.947 flat angles C4'-P-C4' energy: -72.165 flat angles P-C4'-P energy: -42.984 tors. eta vs tors. theta energy: -101.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1258.352019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.352019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.352019 (E_RNA) where: Base-Base interactions energy: -921.719 where: short stacking energy: -361.371 Base-Backbone interact. energy: 1.755 local terms energy: -338.387276 where: bonds (distance) C4'-P energy: -48.029 bonds (distance) P-C4' energy: -75.038 flat angles C4'-P-C4' energy: -72.423 flat angles P-C4'-P energy: -41.536 tors. eta vs tors. theta energy: -101.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -1193.087779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.087779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.087779 (E_RNA) where: Base-Base interactions energy: -874.438 where: short stacking energy: -345.060 Base-Backbone interact. energy: -0.286 local terms energy: -318.363264 where: bonds (distance) C4'-P energy: -53.642 bonds (distance) P-C4' energy: -45.185 flat angles C4'-P-C4' energy: -70.178 flat angles P-C4'-P energy: -54.224 tors. eta vs tors. theta energy: -95.135 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: 5 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1705.289979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.289979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.289979 (E_RNA) where: Base-Base interactions energy: -1249.747 where: short stacking energy: -491.999 Base-Backbone interact. energy: -0.709 local terms energy: -454.833630 where: bonds (distance) C4'-P energy: -57.765 bonds (distance) P-C4' energy: -76.845 flat angles C4'-P-C4' energy: -99.779 flat angles P-C4'-P energy: -75.533 tors. eta vs tors. theta energy: -144.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1612.517372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.517372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.517372 (E_RNA) where: Base-Base interactions energy: -1182.797 where: short stacking energy: -458.100 Base-Backbone interact. energy: -0.881 local terms energy: -428.838698 where: bonds (distance) C4'-P energy: -75.374 bonds (distance) P-C4' energy: -64.322 flat angles C4'-P-C4' energy: -92.106 flat angles P-C4'-P energy: -68.126 tors. eta vs tors. theta energy: -128.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1564.121503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.121503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.121503 (E_RNA) where: Base-Base interactions energy: -1131.013 where: short stacking energy: -450.757 Base-Backbone interact. energy: -1.383 local terms energy: -431.724753 where: bonds (distance) C4'-P energy: -65.907 bonds (distance) P-C4' energy: -79.274 flat angles C4'-P-C4' energy: -87.569 flat angles P-C4'-P energy: -64.387 tors. eta vs tors. theta energy: -134.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1553.907588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.907588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.907588 (E_RNA) where: Base-Base interactions energy: -1143.927 where: short stacking energy: -451.825 Base-Backbone interact. energy: -1.021 local terms energy: -408.959649 where: bonds (distance) C4'-P energy: -64.703 bonds (distance) P-C4' energy: -62.123 flat angles C4'-P-C4' energy: -83.924 flat angles P-C4'-P energy: -64.276 tors. eta vs tors. theta energy: -133.934 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: 9 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1483.689798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.689798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.689798 (E_RNA) where: Base-Base interactions energy: -1070.039 where: short stacking energy: -416.629 Base-Backbone interact. energy: 0.452 local terms energy: -414.102708 where: bonds (distance) C4'-P energy: -71.374 bonds (distance) P-C4' energy: -61.698 flat angles C4'-P-C4' energy: -86.849 flat angles P-C4'-P energy: -61.627 tors. eta vs tors. theta energy: -132.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1471.330212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.330212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.330212 (E_RNA) where: Base-Base interactions energy: -1065.960 where: short stacking energy: -408.610 Base-Backbone interact. energy: -2.195 local terms energy: -403.174963 where: bonds (distance) C4'-P energy: -60.862 bonds (distance) P-C4' energy: -72.630 flat angles C4'-P-C4' energy: -84.634 flat angles P-C4'-P energy: -55.718 tors. eta vs tors. theta energy: -129.331 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: 482 Temperature: 1.200000 Total energy: -1456.975323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.975323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.975323 (E_RNA) where: Base-Base interactions energy: -1068.245 where: short stacking energy: -416.450 Base-Backbone interact. energy: -1.552 local terms energy: -387.177906 where: bonds (distance) C4'-P energy: -63.115 bonds (distance) P-C4' energy: -70.938 flat angles C4'-P-C4' energy: -73.256 flat angles P-C4'-P energy: -55.823 tors. eta vs tors. theta energy: -124.047 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: 8 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1278.472743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.472743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.472743 (E_RNA) where: Base-Base interactions energy: -914.152 where: short stacking energy: -379.029 Base-Backbone interact. energy: -0.064 local terms energy: -364.256206 where: bonds (distance) C4'-P energy: -62.885 bonds (distance) P-C4' energy: -67.561 flat angles C4'-P-C4' energy: -81.261 flat angles P-C4'-P energy: -44.680 tors. eta vs tors. theta energy: -107.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1267.116653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.116653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.116653 (E_RNA) where: Base-Base interactions energy: -925.283 where: short stacking energy: -347.772 Base-Backbone interact. energy: -0.273 local terms energy: -341.559784 where: bonds (distance) C4'-P energy: -56.512 bonds (distance) P-C4' energy: -73.109 flat angles C4'-P-C4' energy: -66.508 flat angles P-C4'-P energy: -51.990 tors. eta vs tors. theta energy: -93.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -1119.304911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.304911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.304911 (E_RNA) where: Base-Base interactions energy: -788.916 where: short stacking energy: -328.985 Base-Backbone interact. energy: 0.304 local terms energy: -330.692648 where: bonds (distance) C4'-P energy: -59.118 bonds (distance) P-C4' energy: -74.971 flat angles C4'-P-C4' energy: -76.670 flat angles P-C4'-P energy: -39.989 tors. eta vs tors. theta energy: -79.945 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: 5 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1713.580403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.580403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.580403 (E_RNA) where: Base-Base interactions energy: -1260.528 where: short stacking energy: -498.819 Base-Backbone interact. energy: -0.494 local terms energy: -452.559263 where: bonds (distance) C4'-P energy: -77.919 bonds (distance) P-C4' energy: -73.467 flat angles C4'-P-C4' energy: -91.327 flat angles P-C4'-P energy: -62.615 tors. eta vs tors. theta energy: -147.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1585.481271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.481271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.481271 (E_RNA) where: Base-Base interactions energy: -1154.631 where: short stacking energy: -454.553 Base-Backbone interact. energy: -0.041 local terms energy: -430.808973 where: bonds (distance) C4'-P energy: -69.580 bonds (distance) P-C4' energy: -65.481 flat angles C4'-P-C4' energy: -94.328 flat angles P-C4'-P energy: -64.503 tors. eta vs tors. theta energy: -136.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1597.791625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.791625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.791625 (E_RNA) where: Base-Base interactions energy: -1148.683 where: short stacking energy: -443.326 Base-Backbone interact. energy: 0.176 local terms energy: -449.285165 where: bonds (distance) C4'-P energy: -74.718 bonds (distance) P-C4' energy: -82.118 flat angles C4'-P-C4' energy: -93.162 flat angles P-C4'-P energy: -67.089 tors. eta vs tors. theta energy: -132.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1552.686272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.686272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.686272 (E_RNA) where: Base-Base interactions energy: -1129.259 where: short stacking energy: -450.983 Base-Backbone interact. energy: 0.912 local terms energy: -424.339326 where: bonds (distance) C4'-P energy: -72.270 bonds (distance) P-C4' energy: -68.502 flat angles C4'-P-C4' energy: -87.649 flat angles P-C4'-P energy: -61.947 tors. eta vs tors. theta energy: -133.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1466.036150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.036150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.036150 (E_RNA) where: Base-Base interactions energy: -1081.311 where: short stacking energy: -429.549 Base-Backbone interact. energy: 1.260 local terms energy: -385.984827 where: bonds (distance) C4'-P energy: -57.739 bonds (distance) P-C4' energy: -58.487 flat angles C4'-P-C4' energy: -84.051 flat angles P-C4'-P energy: -60.315 tors. eta vs tors. theta energy: -125.392 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: 3 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1480.744793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.744793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.744793 (E_RNA) where: Base-Base interactions energy: -1092.853 where: short stacking energy: -413.689 Base-Backbone interact. energy: -0.937 local terms energy: -386.954708 where: bonds (distance) C4'-P energy: -56.190 bonds (distance) P-C4' energy: -66.119 flat angles C4'-P-C4' energy: -84.229 flat angles P-C4'-P energy: -57.172 tors. eta vs tors. theta energy: -123.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1407.131289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.131289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.131289 (E_RNA) where: Base-Base interactions energy: -1016.374 where: short stacking energy: -404.796 Base-Backbone interact. energy: -1.354 local terms energy: -389.402547 where: bonds (distance) C4'-P energy: -55.039 bonds (distance) P-C4' energy: -75.621 flat angles C4'-P-C4' energy: -86.798 flat angles P-C4'-P energy: -54.134 tors. eta vs tors. theta energy: -117.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1273.624975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.624975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.624975 (E_RNA) where: Base-Base interactions energy: -914.296 where: short stacking energy: -351.077 Base-Backbone interact. energy: -1.180 local terms energy: -358.148844 where: bonds (distance) C4'-P energy: -70.354 bonds (distance) P-C4' energy: -61.365 flat angles C4'-P-C4' energy: -76.822 flat angles P-C4'-P energy: -50.683 tors. eta vs tors. theta energy: -98.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1261.439251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.439251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.439251 (E_RNA) where: Base-Base interactions energy: -919.602 where: short stacking energy: -355.177 Base-Backbone interact. energy: 1.387 local terms energy: -343.223763 where: bonds (distance) C4'-P energy: -44.404 bonds (distance) P-C4' energy: -70.725 flat angles C4'-P-C4' energy: -77.016 flat angles P-C4'-P energy: -49.359 tors. eta vs tors. theta energy: -101.719 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: 10, replica: 4 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -1092.075666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.075666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.075666 (E_RNA) where: Base-Base interactions energy: -769.386 where: short stacking energy: -306.888 Base-Backbone interact. energy: -1.123 local terms energy: -321.566990 where: bonds (distance) C4'-P energy: -65.413 bonds (distance) P-C4' energy: -56.583 flat angles C4'-P-C4' energy: -80.366 flat angles P-C4'-P energy: -35.745 tors. eta vs tors. theta energy: -83.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1706.323911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.323911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.323911 (E_RNA) where: Base-Base interactions energy: -1247.453 where: short stacking energy: -481.443 Base-Backbone interact. energy: 0.098 local terms energy: -458.969351 where: bonds (distance) C4'-P energy: -67.928 bonds (distance) P-C4' energy: -80.575 flat angles C4'-P-C4' energy: -91.085 flat angles P-C4'-P energy: -69.162 tors. eta vs tors. theta energy: -150.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1580.635762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.635762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.635762 (E_RNA) where: Base-Base interactions energy: -1152.583 where: short stacking energy: -454.403 Base-Backbone interact. energy: -2.783 local terms energy: -425.269994 where: bonds (distance) C4'-P energy: -69.943 bonds (distance) P-C4' energy: -73.310 flat angles C4'-P-C4' energy: -91.579 flat angles P-C4'-P energy: -59.387 tors. eta vs tors. theta energy: -131.052 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: 2 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1592.810943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.810943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.810943 (E_RNA) where: Base-Base interactions energy: -1157.286 where: short stacking energy: -450.157 Base-Backbone interact. energy: -0.538 local terms energy: -434.987079 where: bonds (distance) C4'-P energy: -75.936 bonds (distance) P-C4' energy: -75.632 flat angles C4'-P-C4' energy: -91.396 flat angles P-C4'-P energy: -61.295 tors. eta vs tors. theta energy: -130.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1565.775186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.775186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.775186 (E_RNA) where: Base-Base interactions energy: -1131.006 where: short stacking energy: -442.089 Base-Backbone interact. energy: -0.762 local terms energy: -434.007280 where: bonds (distance) C4'-P energy: -77.869 bonds (distance) P-C4' energy: -74.920 flat angles C4'-P-C4' energy: -87.435 flat angles P-C4'-P energy: -64.190 tors. eta vs tors. theta energy: -129.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1459.457115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.457115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.457115 (E_RNA) where: Base-Base interactions energy: -1037.507 where: short stacking energy: -405.795 Base-Backbone interact. energy: 0.855 local terms energy: -422.805507 where: bonds (distance) C4'-P energy: -73.027 bonds (distance) P-C4' energy: -83.971 flat angles C4'-P-C4' energy: -88.359 flat angles P-C4'-P energy: -59.967 tors. eta vs tors. theta energy: -117.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1510.212290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.212290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.212290 (E_RNA) where: Base-Base interactions energy: -1103.493 where: short stacking energy: -424.729 Base-Backbone interact. energy: 0.419 local terms energy: -407.138726 where: bonds (distance) C4'-P energy: -66.594 bonds (distance) P-C4' energy: -75.534 flat angles C4'-P-C4' energy: -81.813 flat angles P-C4'-P energy: -55.970 tors. eta vs tors. theta energy: -127.227 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: 7, replica: 10 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1435.326308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.326308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.326308 (E_RNA) where: Base-Base interactions energy: -1032.271 where: short stacking energy: -390.829 Base-Backbone interact. energy: -1.273 local terms energy: -401.782728 where: bonds (distance) C4'-P energy: -67.309 bonds (distance) P-C4' energy: -66.150 flat angles C4'-P-C4' energy: -89.492 flat angles P-C4'-P energy: -60.344 tors. eta vs tors. theta energy: -118.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1253.658014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.658014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.658014 (E_RNA) where: Base-Base interactions energy: -899.699 where: short stacking energy: -364.419 Base-Backbone interact. energy: 1.554 local terms energy: -355.513421 where: bonds (distance) C4'-P energy: -56.954 bonds (distance) P-C4' energy: -71.129 flat angles C4'-P-C4' energy: -64.027 flat angles P-C4'-P energy: -52.981 tors. eta vs tors. theta energy: -110.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1276.408733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.408733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.408733 (E_RNA) where: Base-Base interactions energy: -921.766 where: short stacking energy: -358.952 Base-Backbone interact. energy: 0.362 local terms energy: -355.005056 where: bonds (distance) C4'-P energy: -64.505 bonds (distance) P-C4' energy: -57.061 flat angles C4'-P-C4' energy: -68.346 flat angles P-C4'-P energy: -51.985 tors. eta vs tors. theta energy: -113.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -1118.660871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.660871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.660871 (E_RNA) where: Base-Base interactions energy: -812.394 where: short stacking energy: -326.625 Base-Backbone interact. energy: 1.903 local terms energy: -308.169437 where: bonds (distance) C4'-P energy: -59.819 bonds (distance) P-C4' energy: -51.404 flat angles C4'-P-C4' energy: -67.573 flat angles P-C4'-P energy: -42.758 tors. eta vs tors. theta energy: -86.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1715.486991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.486991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.486991 (E_RNA) where: Base-Base interactions energy: -1251.064 where: short stacking energy: -500.944 Base-Backbone interact. energy: -0.763 local terms energy: -463.660015 where: bonds (distance) C4'-P energy: -76.757 bonds (distance) P-C4' energy: -72.399 flat angles C4'-P-C4' energy: -98.189 flat angles P-C4'-P energy: -66.300 tors. eta vs tors. theta energy: -150.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1602.418272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.418272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.418272 (E_RNA) where: Base-Base interactions energy: -1154.352 where: short stacking energy: -451.057 Base-Backbone interact. energy: -0.811 local terms energy: -447.255527 where: bonds (distance) C4'-P energy: -75.723 bonds (distance) P-C4' energy: -84.355 flat angles C4'-P-C4' energy: -93.992 flat angles P-C4'-P energy: -58.855 tors. eta vs tors. theta energy: -134.330 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: 6 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1558.418352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.418352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.418352 (E_RNA) where: Base-Base interactions energy: -1148.677 where: short stacking energy: -441.467 Base-Backbone interact. energy: 1.816 local terms energy: -411.558037 where: bonds (distance) C4'-P energy: -72.065 bonds (distance) P-C4' energy: -67.061 flat angles C4'-P-C4' energy: -86.802 flat angles P-C4'-P energy: -52.818 tors. eta vs tors. theta energy: -132.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1554.808399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.808399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.808399 (E_RNA) where: Base-Base interactions energy: -1141.498 where: short stacking energy: -443.474 Base-Backbone interact. energy: -0.621 local terms energy: -412.689312 where: bonds (distance) C4'-P energy: -58.860 bonds (distance) P-C4' energy: -70.198 flat angles C4'-P-C4' energy: -90.099 flat angles P-C4'-P energy: -59.568 tors. eta vs tors. theta energy: -133.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1468.090359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.090359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.090359 (E_RNA) where: Base-Base interactions energy: -1051.298 where: short stacking energy: -421.961 Base-Backbone interact. energy: -0.355 local terms energy: -416.437844 where: bonds (distance) C4'-P energy: -78.733 bonds (distance) P-C4' energy: -70.465 flat angles C4'-P-C4' energy: -82.336 flat angles P-C4'-P energy: -57.648 tors. eta vs tors. theta energy: -127.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1509.790440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.790440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.790440 (E_RNA) where: Base-Base interactions energy: -1092.378 where: short stacking energy: -431.280 Base-Backbone interact. energy: -1.693 local terms energy: -415.720212 where: bonds (distance) C4'-P energy: -67.504 bonds (distance) P-C4' energy: -72.711 flat angles C4'-P-C4' energy: -89.677 flat angles P-C4'-P energy: -58.712 tors. eta vs tors. theta energy: -127.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1433.275273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.275273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.275273 (E_RNA) where: Base-Base interactions energy: -1038.414 where: short stacking energy: -414.381 Base-Backbone interact. energy: -0.438 local terms energy: -394.424128 where: bonds (distance) C4'-P energy: -54.299 bonds (distance) P-C4' energy: -71.292 flat angles C4'-P-C4' energy: -91.330 flat angles P-C4'-P energy: -51.103 tors. eta vs tors. theta energy: -126.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1287.929989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.929989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.929989 (E_RNA) where: Base-Base interactions energy: -914.035 where: short stacking energy: -359.268 Base-Backbone interact. energy: 2.494 local terms energy: -376.389360 where: bonds (distance) C4'-P energy: -72.428 bonds (distance) P-C4' energy: -66.495 flat angles C4'-P-C4' energy: -83.470 flat angles P-C4'-P energy: -49.304 tors. eta vs tors. theta energy: -104.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1354.164040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.164040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.164040 (E_RNA) where: Base-Base interactions energy: -1000.940 where: short stacking energy: -400.098 Base-Backbone interact. energy: -0.209 local terms energy: -353.014955 where: bonds (distance) C4'-P energy: -68.180 bonds (distance) P-C4' energy: -51.620 flat angles C4'-P-C4' energy: -76.374 flat angles P-C4'-P energy: -43.661 tors. eta vs tors. theta energy: -113.180 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: 485 Temperature: 1.350000 Total energy: -1209.365004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.365004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.365004 (E_RNA) where: Base-Base interactions energy: -902.471 where: short stacking energy: -339.106 Base-Backbone interact. energy: -0.492 local terms energy: -306.402412 where: bonds (distance) C4'-P energy: -60.313 bonds (distance) P-C4' energy: -48.866 flat angles C4'-P-C4' energy: -62.840 flat angles P-C4'-P energy: -44.400 tors. eta vs tors. theta energy: -89.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1706.018451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.018451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.018451 (E_RNA) where: Base-Base interactions energy: -1253.251 where: short stacking energy: -486.656 Base-Backbone interact. energy: -0.652 local terms energy: -452.115244 where: bonds (distance) C4'-P energy: -69.312 bonds (distance) P-C4' energy: -83.914 flat angles C4'-P-C4' energy: -90.221 flat angles P-C4'-P energy: -59.728 tors. eta vs tors. theta energy: -148.940 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: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1605.526082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.526082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.526082 (E_RNA) where: Base-Base interactions energy: -1167.064 where: short stacking energy: -454.142 Base-Backbone interact. energy: -0.539 local terms energy: -437.922957 where: bonds (distance) C4'-P energy: -72.256 bonds (distance) P-C4' energy: -70.913 flat angles C4'-P-C4' energy: -89.329 flat angles P-C4'-P energy: -65.761 tors. eta vs tors. theta energy: -139.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1582.322371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.322371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.322371 (E_RNA) where: Base-Base interactions energy: -1146.322 where: short stacking energy: -458.983 Base-Backbone interact. energy: 0.800 local terms energy: -436.800619 where: bonds (distance) C4'-P energy: -70.400 bonds (distance) P-C4' energy: -77.344 flat angles C4'-P-C4' energy: -94.481 flat angles P-C4'-P energy: -62.411 tors. eta vs tors. theta energy: -132.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1542.793732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.793732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.793732 (E_RNA) where: Base-Base interactions energy: -1126.504 where: short stacking energy: -425.149 Base-Backbone interact. energy: 1.676 local terms energy: -417.964946 where: bonds (distance) C4'-P energy: -73.273 bonds (distance) P-C4' energy: -73.991 flat angles C4'-P-C4' energy: -84.175 flat angles P-C4'-P energy: -61.547 tors. eta vs tors. theta energy: -124.979 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: 5, replica: 3 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1515.668809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.668809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.668809 (E_RNA) where: Base-Base interactions energy: -1097.749 where: short stacking energy: -421.015 Base-Backbone interact. energy: 1.987 local terms energy: -419.906979 where: bonds (distance) C4'-P energy: -78.858 bonds (distance) P-C4' energy: -69.249 flat angles C4'-P-C4' energy: -83.127 flat angles P-C4'-P energy: -66.081 tors. eta vs tors. theta energy: -122.592 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: 6, replica: 9 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1433.949220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.949220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.949220 (E_RNA) where: Base-Base interactions energy: -1029.326 where: short stacking energy: -402.748 Base-Backbone interact. energy: -0.666 local terms energy: -403.957591 where: bonds (distance) C4'-P energy: -71.549 bonds (distance) P-C4' energy: -68.147 flat angles C4'-P-C4' energy: -86.647 flat angles P-C4'-P energy: -56.754 tors. eta vs tors. theta energy: -120.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1461.845046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.845046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.845046 (E_RNA) where: Base-Base interactions energy: -1067.517 where: short stacking energy: -418.835 Base-Backbone interact. energy: 1.248 local terms energy: -395.575607 where: bonds (distance) C4'-P energy: -64.545 bonds (distance) P-C4' energy: -70.597 flat angles C4'-P-C4' energy: -87.270 flat angles P-C4'-P energy: -51.655 tors. eta vs tors. theta energy: -121.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1283.186141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.186141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.186141 (E_RNA) where: Base-Base interactions energy: -941.053 where: short stacking energy: -364.195 Base-Backbone interact. energy: -0.628 local terms energy: -341.504210 where: bonds (distance) C4'-P energy: -57.865 bonds (distance) P-C4' energy: -58.168 flat angles C4'-P-C4' energy: -77.034 flat angles P-C4'-P energy: -50.328 tors. eta vs tors. theta energy: -98.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1335.025708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.025708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.025708 (E_RNA) where: Base-Base interactions energy: -998.017 where: short stacking energy: -373.715 Base-Backbone interact. energy: -0.263 local terms energy: -336.745097 where: bonds (distance) C4'-P energy: -48.050 bonds (distance) P-C4' energy: -55.620 flat angles C4'-P-C4' energy: -72.529 flat angles P-C4'-P energy: -59.060 tors. eta vs tors. theta energy: -101.487 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: 10, replica: 4 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -1125.306073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.306073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.306073 (E_RNA) where: Base-Base interactions energy: -817.214 where: short stacking energy: -319.415 Base-Backbone interact. energy: 0.206 local terms energy: -308.298058 where: bonds (distance) C4'-P energy: -62.471 bonds (distance) P-C4' energy: -57.659 flat angles C4'-P-C4' energy: -51.301 flat angles P-C4'-P energy: -44.584 tors. eta vs tors. theta energy: -92.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1701.584518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.584518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.584518 (E_RNA) where: Base-Base interactions energy: -1258.618 where: short stacking energy: -495.632 Base-Backbone interact. energy: 0.012 local terms energy: -442.978899 where: bonds (distance) C4'-P energy: -81.109 bonds (distance) P-C4' energy: -58.988 flat angles C4'-P-C4' energy: -95.792 flat angles P-C4'-P energy: -60.269 tors. eta vs tors. theta energy: -146.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1623.241993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.241993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.241993 (E_RNA) where: Base-Base interactions energy: -1177.180 where: short stacking energy: -458.597 Base-Backbone interact. energy: -0.872 local terms energy: -445.190226 where: bonds (distance) C4'-P energy: -77.619 bonds (distance) P-C4' energy: -70.285 flat angles C4'-P-C4' energy: -93.317 flat angles P-C4'-P energy: -66.596 tors. eta vs tors. theta energy: -137.373 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: 487 Temperature: 1.000000 Total energy: -1578.382098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.382098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.382098 (E_RNA) where: Base-Base interactions energy: -1147.721 where: short stacking energy: -455.482 Base-Backbone interact. energy: 0.981 local terms energy: -431.641729 where: bonds (distance) C4'-P energy: -64.208 bonds (distance) P-C4' energy: -77.018 flat angles C4'-P-C4' energy: -88.999 flat angles P-C4'-P energy: -67.039 tors. eta vs tors. theta energy: -134.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1540.928492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.928492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.928492 (E_RNA) where: Base-Base interactions energy: -1103.919 where: short stacking energy: -417.023 Base-Backbone interact. energy: -0.541 local terms energy: -436.468700 where: bonds (distance) C4'-P energy: -74.072 bonds (distance) P-C4' energy: -75.699 flat angles C4'-P-C4' energy: -91.474 flat angles P-C4'-P energy: -65.349 tors. eta vs tors. theta energy: -129.875 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: 487 Temperature: 1.100000 Total energy: -1514.394403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.394403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.394403 (E_RNA) where: Base-Base interactions energy: -1096.808 where: short stacking energy: -428.564 Base-Backbone interact. energy: -1.090 local terms energy: -416.497201 where: bonds (distance) C4'-P energy: -67.819 bonds (distance) P-C4' energy: -62.086 flat angles C4'-P-C4' energy: -87.871 flat angles P-C4'-P energy: -60.798 tors. eta vs tors. theta energy: -137.924 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: 9 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1457.445165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.445165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.445165 (E_RNA) where: Base-Base interactions energy: -1052.240 where: short stacking energy: -415.733 Base-Backbone interact. energy: -1.546 local terms energy: -403.659672 where: bonds (distance) C4'-P energy: -60.087 bonds (distance) P-C4' energy: -75.963 flat angles C4'-P-C4' energy: -81.022 flat angles P-C4'-P energy: -63.452 tors. eta vs tors. theta energy: -123.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1449.880680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.880680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.880680 (E_RNA) where: Base-Base interactions energy: -1058.223 where: short stacking energy: -416.864 Base-Backbone interact. energy: 0.442 local terms energy: -392.100462 where: bonds (distance) C4'-P energy: -61.718 bonds (distance) P-C4' energy: -75.154 flat angles C4'-P-C4' energy: -76.232 flat angles P-C4'-P energy: -58.600 tors. eta vs tors. theta energy: -120.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1326.793290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.793290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.793290 (E_RNA) where: Base-Base interactions energy: -966.097 where: short stacking energy: -376.839 Base-Backbone interact. energy: -0.981 local terms energy: -359.715644 where: bonds (distance) C4'-P energy: -60.556 bonds (distance) P-C4' energy: -69.746 flat angles C4'-P-C4' energy: -69.943 flat angles P-C4'-P energy: -52.796 tors. eta vs tors. theta energy: -106.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1270.947693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.947693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.947693 (E_RNA) where: Base-Base interactions energy: -892.067 where: short stacking energy: -343.560 Base-Backbone interact. energy: -0.488 local terms energy: -378.392433 where: bonds (distance) C4'-P energy: -67.858 bonds (distance) P-C4' energy: -77.041 flat angles C4'-P-C4' energy: -69.111 flat angles P-C4'-P energy: -60.483 tors. eta vs tors. theta energy: -103.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -1151.160527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.160527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.160527 (E_RNA) where: Base-Base interactions energy: -823.258 where: short stacking energy: -328.978 Base-Backbone interact. energy: 0.489 local terms energy: -328.391296 where: bonds (distance) C4'-P energy: -49.820 bonds (distance) P-C4' energy: -58.129 flat angles C4'-P-C4' energy: -75.647 flat angles P-C4'-P energy: -55.022 tors. eta vs tors. theta energy: -89.773 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: 488 Temperature: 0.900000 Total energy: -1702.257962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.257962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.257962 (E_RNA) where: Base-Base interactions energy: -1239.750 where: short stacking energy: -487.602 Base-Backbone interact. energy: -1.053 local terms energy: -461.455340 where: bonds (distance) C4'-P energy: -76.502 bonds (distance) P-C4' energy: -75.444 flat angles C4'-P-C4' energy: -96.209 flat angles P-C4'-P energy: -67.700 tors. eta vs tors. theta energy: -145.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1612.765402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.765402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.765402 (E_RNA) where: Base-Base interactions energy: -1160.366 where: short stacking energy: -459.180 Base-Backbone interact. energy: -0.575 local terms energy: -451.824493 where: bonds (distance) C4'-P energy: -78.643 bonds (distance) P-C4' energy: -73.996 flat angles C4'-P-C4' energy: -98.489 flat angles P-C4'-P energy: -63.029 tors. eta vs tors. theta energy: -137.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1551.901209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.901209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.901209 (E_RNA) where: Base-Base interactions energy: -1133.240 where: short stacking energy: -445.754 Base-Backbone interact. energy: 1.766 local terms energy: -420.427047 where: bonds (distance) C4'-P energy: -71.587 bonds (distance) P-C4' energy: -74.325 flat angles C4'-P-C4' energy: -88.350 flat angles P-C4'-P energy: -59.953 tors. eta vs tors. theta energy: -126.212 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: 1 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1545.161543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.161543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.161543 (E_RNA) where: Base-Base interactions energy: -1134.757 where: short stacking energy: -439.113 Base-Backbone interact. energy: -1.103 local terms energy: -409.301471 where: bonds (distance) C4'-P energy: -69.814 bonds (distance) P-C4' energy: -68.269 flat angles C4'-P-C4' energy: -82.330 flat angles P-C4'-P energy: -54.721 tors. eta vs tors. theta energy: -134.166 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: 6 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1507.944543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.944543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.944543 (E_RNA) where: Base-Base interactions energy: -1098.826 where: short stacking energy: -430.994 Base-Backbone interact. energy: -0.422 local terms energy: -408.696859 where: bonds (distance) C4'-P energy: -73.758 bonds (distance) P-C4' energy: -73.724 flat angles C4'-P-C4' energy: -80.795 flat angles P-C4'-P energy: -52.907 tors. eta vs tors. theta energy: -127.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1443.689350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.689350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.689350 (E_RNA) where: Base-Base interactions energy: -1054.939 where: short stacking energy: -416.026 Base-Backbone interact. energy: -0.922 local terms energy: -387.828152 where: bonds (distance) C4'-P energy: -55.657 bonds (distance) P-C4' energy: -68.659 flat angles C4'-P-C4' energy: -84.421 flat angles P-C4'-P energy: -56.691 tors. eta vs tors. theta energy: -122.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1379.361743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.361743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.361743 (E_RNA) where: Base-Base interactions energy: -997.406 where: short stacking energy: -380.190 Base-Backbone interact. energy: 0.225 local terms energy: -382.180440 where: bonds (distance) C4'-P energy: -75.087 bonds (distance) P-C4' energy: -59.024 flat angles C4'-P-C4' energy: -82.730 flat angles P-C4'-P energy: -60.575 tors. eta vs tors. theta energy: -104.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1411.508616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.508616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.508616 (E_RNA) where: Base-Base interactions energy: -1020.897 where: short stacking energy: -404.077 Base-Backbone interact. energy: -0.092 local terms energy: -390.520436 where: bonds (distance) C4'-P energy: -72.618 bonds (distance) P-C4' energy: -61.916 flat angles C4'-P-C4' energy: -78.000 flat angles P-C4'-P energy: -55.634 tors. eta vs tors. theta energy: -122.352 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: 4 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1189.927693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.927693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.927693 (E_RNA) where: Base-Base interactions energy: -871.731 where: short stacking energy: -348.142 Base-Backbone interact. energy: -0.691 local terms energy: -317.505578 where: bonds (distance) C4'-P energy: -51.314 bonds (distance) P-C4' energy: -59.562 flat angles C4'-P-C4' energy: -68.331 flat angles P-C4'-P energy: -36.349 tors. eta vs tors. theta energy: -101.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -1235.988298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.988298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.988298 (E_RNA) where: Base-Base interactions energy: -898.450 where: short stacking energy: -343.706 Base-Backbone interact. energy: 2.872 local terms energy: -340.410545 where: bonds (distance) C4'-P energy: -66.420 bonds (distance) P-C4' energy: -53.723 flat angles C4'-P-C4' energy: -72.310 flat angles P-C4'-P energy: -47.091 tors. eta vs tors. theta energy: -100.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1705.028554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.028554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.028554 (E_RNA) where: Base-Base interactions energy: -1235.208 where: short stacking energy: -479.270 Base-Backbone interact. energy: -0.059 local terms energy: -469.762033 where: bonds (distance) C4'-P energy: -77.193 bonds (distance) P-C4' energy: -87.564 flat angles C4'-P-C4' energy: -95.411 flat angles P-C4'-P energy: -63.372 tors. eta vs tors. theta energy: -146.223 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: 2 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1592.529882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.529882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.529882 (E_RNA) where: Base-Base interactions energy: -1154.812 where: short stacking energy: -458.976 Base-Backbone interact. energy: -0.708 local terms energy: -437.009405 where: bonds (distance) C4'-P energy: -76.021 bonds (distance) P-C4' energy: -73.169 flat angles C4'-P-C4' energy: -89.731 flat angles P-C4'-P energy: -59.863 tors. eta vs tors. theta energy: -138.226 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: 3 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1538.200356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.200356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.200356 (E_RNA) where: Base-Base interactions energy: -1128.916 where: short stacking energy: -417.848 Base-Backbone interact. energy: 2.041 local terms energy: -411.325357 where: bonds (distance) C4'-P energy: -66.652 bonds (distance) P-C4' energy: -71.462 flat angles C4'-P-C4' energy: -83.256 flat angles P-C4'-P energy: -61.784 tors. eta vs tors. theta energy: -128.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1515.732271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.732271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.732271 (E_RNA) where: Base-Base interactions energy: -1113.276 where: short stacking energy: -428.466 Base-Backbone interact. energy: -0.075 local terms energy: -402.381349 where: bonds (distance) C4'-P energy: -59.609 bonds (distance) P-C4' energy: -65.825 flat angles C4'-P-C4' energy: -89.322 flat angles P-C4'-P energy: -54.151 tors. eta vs tors. theta energy: -133.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1534.591232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.591232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.591232 (E_RNA) where: Base-Base interactions energy: -1114.779 where: short stacking energy: -436.652 Base-Backbone interact. energy: -0.484 local terms energy: -419.328624 where: bonds (distance) C4'-P energy: -77.147 bonds (distance) P-C4' energy: -70.655 flat angles C4'-P-C4' energy: -89.345 flat angles P-C4'-P energy: -48.549 tors. eta vs tors. theta energy: -133.632 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: 6, replica: 9 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1457.246799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.246799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.246799 (E_RNA) where: Base-Base interactions energy: -1060.595 where: short stacking energy: -424.656 Base-Backbone interact. energy: -0.241 local terms energy: -396.410890 where: bonds (distance) C4'-P energy: -69.680 bonds (distance) P-C4' energy: -63.624 flat angles C4'-P-C4' energy: -80.663 flat angles P-C4'-P energy: -57.000 tors. eta vs tors. theta energy: -125.444 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: 7 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1392.822320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.822320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.822320 (E_RNA) where: Base-Base interactions energy: -1020.038 where: short stacking energy: -388.702 Base-Backbone interact. energy: -0.761 local terms energy: -372.023034 where: bonds (distance) C4'-P energy: -53.641 bonds (distance) P-C4' energy: -61.845 flat angles C4'-P-C4' energy: -83.606 flat angles P-C4'-P energy: -58.505 tors. eta vs tors. theta energy: -114.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1430.622849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.622849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.622849 (E_RNA) where: Base-Base interactions energy: -1036.918 where: short stacking energy: -405.650 Base-Backbone interact. energy: -0.569 local terms energy: -393.135248 where: bonds (distance) C4'-P energy: -75.078 bonds (distance) P-C4' energy: -58.885 flat angles C4'-P-C4' energy: -70.929 flat angles P-C4'-P energy: -64.910 tors. eta vs tors. theta energy: -123.333 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: 4 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1211.481702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.481702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.481702 (E_RNA) where: Base-Base interactions energy: -864.112 where: short stacking energy: -346.400 Base-Backbone interact. energy: -0.198 local terms energy: -347.171586 where: bonds (distance) C4'-P energy: -58.110 bonds (distance) P-C4' energy: -67.562 flat angles C4'-P-C4' energy: -73.032 flat angles P-C4'-P energy: -47.399 tors. eta vs tors. theta energy: -101.067 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: 8 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -1220.909398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.909398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.909398 (E_RNA) where: Base-Base interactions energy: -898.010 where: short stacking energy: -352.286 Base-Backbone interact. energy: -0.887 local terms energy: -322.012433 where: bonds (distance) C4'-P energy: -53.508 bonds (distance) P-C4' energy: -54.685 flat angles C4'-P-C4' energy: -67.740 flat angles P-C4'-P energy: -42.011 tors. eta vs tors. theta energy: -104.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1707.765243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.765243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.765243 (E_RNA) where: Base-Base interactions energy: -1249.509 where: short stacking energy: -481.452 Base-Backbone interact. energy: 1.215 local terms energy: -459.470927 where: bonds (distance) C4'-P energy: -74.221 bonds (distance) P-C4' energy: -79.450 flat angles C4'-P-C4' energy: -88.791 flat angles P-C4'-P energy: -71.092 tors. eta vs tors. theta energy: -145.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1606.223275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.223275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.223275 (E_RNA) where: Base-Base interactions energy: -1159.367 where: short stacking energy: -453.766 Base-Backbone interact. energy: -2.109 local terms energy: -444.746884 where: bonds (distance) C4'-P energy: -84.161 bonds (distance) P-C4' energy: -71.228 flat angles C4'-P-C4' energy: -96.142 flat angles P-C4'-P energy: -63.290 tors. eta vs tors. theta energy: -129.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1565.059115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.059115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.059115 (E_RNA) where: Base-Base interactions energy: -1132.002 where: short stacking energy: -425.768 Base-Backbone interact. energy: -0.199 local terms energy: -432.857286 where: bonds (distance) C4'-P energy: -68.188 bonds (distance) P-C4' energy: -78.406 flat angles C4'-P-C4' energy: -92.354 flat angles P-C4'-P energy: -68.459 tors. eta vs tors. theta energy: -125.450 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: 490 Temperature: 1.050000 Total energy: -1532.328659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.328659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.328659 (E_RNA) where: Base-Base interactions energy: -1125.360 where: short stacking energy: -443.392 Base-Backbone interact. energy: 1.287 local terms energy: -408.255633 where: bonds (distance) C4'-P energy: -69.277 bonds (distance) P-C4' energy: -61.371 flat angles C4'-P-C4' energy: -88.327 flat angles P-C4'-P energy: -54.771 tors. eta vs tors. theta energy: -134.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1528.563183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.563183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.563183 (E_RNA) where: Base-Base interactions energy: -1112.521 where: short stacking energy: -435.615 Base-Backbone interact. energy: 0.296 local terms energy: -416.338929 where: bonds (distance) C4'-P energy: -69.297 bonds (distance) P-C4' energy: -71.885 flat angles C4'-P-C4' energy: -90.980 flat angles P-C4'-P energy: -53.065 tors. eta vs tors. theta energy: -131.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1449.316462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.316462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.316462 (E_RNA) where: Base-Base interactions energy: -1051.481 where: short stacking energy: -415.248 Base-Backbone interact. energy: -0.342 local terms energy: -397.493150 where: bonds (distance) C4'-P energy: -62.570 bonds (distance) P-C4' energy: -68.535 flat angles C4'-P-C4' energy: -78.355 flat angles P-C4'-P energy: -62.983 tors. eta vs tors. theta energy: -125.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1464.842908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.842908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.842908 (E_RNA) where: Base-Base interactions energy: -1077.714 where: short stacking energy: -437.835 Base-Backbone interact. energy: 3.100 local terms energy: -390.228442 where: bonds (distance) C4'-P energy: -65.431 bonds (distance) P-C4' energy: -44.218 flat angles C4'-P-C4' energy: -87.179 flat angles P-C4'-P energy: -62.209 tors. eta vs tors. theta energy: -131.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1356.449973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.449973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.449973 (E_RNA) where: Base-Base interactions energy: -1001.292 where: short stacking energy: -369.906 Base-Backbone interact. energy: 0.994 local terms energy: -356.151624 where: bonds (distance) C4'-P energy: -58.876 bonds (distance) P-C4' energy: -63.220 flat angles C4'-P-C4' energy: -70.629 flat angles P-C4'-P energy: -57.491 tors. eta vs tors. theta energy: -105.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1200.709519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.709519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.709519 (E_RNA) where: Base-Base interactions energy: -853.234 where: short stacking energy: -350.126 Base-Backbone interact. energy: 1.328 local terms energy: -348.803510 where: bonds (distance) C4'-P energy: -63.479 bonds (distance) P-C4' energy: -56.339 flat angles C4'-P-C4' energy: -73.386 flat angles P-C4'-P energy: -47.101 tors. eta vs tors. theta energy: -108.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -1240.207662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.207662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.207662 (E_RNA) where: Base-Base interactions energy: -896.488 where: short stacking energy: -363.231 Base-Backbone interact. energy: 0.908 local terms energy: -344.628007 where: bonds (distance) C4'-P energy: -63.543 bonds (distance) P-C4' energy: -42.034 flat angles C4'-P-C4' energy: -79.237 flat angles P-C4'-P energy: -53.931 tors. eta vs tors. theta energy: -105.884 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: 5 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1716.307157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.307157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.307157 (E_RNA) where: Base-Base interactions energy: -1250.770 where: short stacking energy: -488.379 Base-Backbone interact. energy: -0.266 local terms energy: -465.271331 where: bonds (distance) C4'-P energy: -83.202 bonds (distance) P-C4' energy: -81.666 flat angles C4'-P-C4' energy: -86.901 flat angles P-C4'-P energy: -67.623 tors. eta vs tors. theta energy: -145.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1608.807860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.807860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.807860 (E_RNA) where: Base-Base interactions energy: -1177.689 where: short stacking energy: -459.406 Base-Backbone interact. energy: -2.856 local terms energy: -428.262648 where: bonds (distance) C4'-P energy: -72.022 bonds (distance) P-C4' energy: -72.098 flat angles C4'-P-C4' energy: -89.331 flat angles P-C4'-P energy: -62.238 tors. eta vs tors. theta energy: -132.574 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: 3 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1553.765909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.765909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.765909 (E_RNA) where: Base-Base interactions energy: -1146.080 where: short stacking energy: -444.128 Base-Backbone interact. energy: -0.482 local terms energy: -407.204155 where: bonds (distance) C4'-P energy: -69.540 bonds (distance) P-C4' energy: -60.615 flat angles C4'-P-C4' energy: -86.967 flat angles P-C4'-P energy: -61.873 tors. eta vs tors. theta energy: -128.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1543.266263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.266263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.266263 (E_RNA) where: Base-Base interactions energy: -1137.344 where: short stacking energy: -448.411 Base-Backbone interact. energy: 2.170 local terms energy: -408.092466 where: bonds (distance) C4'-P energy: -61.403 bonds (distance) P-C4' energy: -63.707 flat angles C4'-P-C4' energy: -87.251 flat angles P-C4'-P energy: -61.928 tors. eta vs tors. theta energy: -133.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1533.136325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.136325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.136325 (E_RNA) where: Base-Base interactions energy: -1102.329 where: short stacking energy: -430.316 Base-Backbone interact. energy: -0.396 local terms energy: -430.411448 where: bonds (distance) C4'-P energy: -60.217 bonds (distance) P-C4' energy: -73.893 flat angles C4'-P-C4' energy: -92.279 flat angles P-C4'-P energy: -67.251 tors. eta vs tors. theta energy: -136.772 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: 9 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1435.006679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.006679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.006679 (E_RNA) where: Base-Base interactions energy: -1040.291 where: short stacking energy: -415.886 Base-Backbone interact. energy: -0.841 local terms energy: -393.874504 where: bonds (distance) C4'-P energy: -65.469 bonds (distance) P-C4' energy: -72.598 flat angles C4'-P-C4' energy: -82.191 flat angles P-C4'-P energy: -51.832 tors. eta vs tors. theta energy: -121.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1446.225606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.225606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.225606 (E_RNA) where: Base-Base interactions energy: -1052.595 where: short stacking energy: -410.790 Base-Backbone interact. energy: -0.482 local terms energy: -393.149283 where: bonds (distance) C4'-P energy: -72.381 bonds (distance) P-C4' energy: -66.374 flat angles C4'-P-C4' energy: -76.963 flat angles P-C4'-P energy: -52.877 tors. eta vs tors. theta energy: -124.555 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: 491 Temperature: 1.250000 Total energy: -1324.764092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.764092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.764092 (E_RNA) where: Base-Base interactions energy: -956.823 where: short stacking energy: -370.109 Base-Backbone interact. energy: -0.359 local terms energy: -367.581654 where: bonds (distance) C4'-P energy: -62.591 bonds (distance) P-C4' energy: -75.314 flat angles C4'-P-C4' energy: -88.128 flat angles P-C4'-P energy: -40.763 tors. eta vs tors. theta energy: -100.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1196.412676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.412676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.412676 (E_RNA) where: Base-Base interactions energy: -860.564 where: short stacking energy: -335.221 Base-Backbone interact. energy: -0.454 local terms energy: -335.393952 where: bonds (distance) C4'-P energy: -62.517 bonds (distance) P-C4' energy: -57.331 flat angles C4'-P-C4' energy: -74.685 flat angles P-C4'-P energy: -37.506 tors. eta vs tors. theta energy: -103.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -1230.214979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.214979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.214979 (E_RNA) where: Base-Base interactions energy: -878.830 where: short stacking energy: -342.651 Base-Backbone interact. energy: 1.258 local terms energy: -352.643401 where: bonds (distance) C4'-P energy: -57.301 bonds (distance) P-C4' energy: -61.233 flat angles C4'-P-C4' energy: -78.939 flat angles P-C4'-P energy: -57.878 tors. eta vs tors. theta energy: -97.292 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: 5 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1706.362413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.362413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.362413 (E_RNA) where: Base-Base interactions energy: -1241.371 where: short stacking energy: -493.611 Base-Backbone interact. energy: -0.394 local terms energy: -464.597101 where: bonds (distance) C4'-P energy: -75.014 bonds (distance) P-C4' energy: -77.328 flat angles C4'-P-C4' energy: -95.681 flat angles P-C4'-P energy: -67.914 tors. eta vs tors. theta energy: -148.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1609.137320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.137320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.137320 (E_RNA) where: Base-Base interactions energy: -1168.066 where: short stacking energy: -464.559 Base-Backbone interact. energy: -0.401 local terms energy: -440.670070 where: bonds (distance) C4'-P energy: -80.533 bonds (distance) P-C4' energy: -69.468 flat angles C4'-P-C4' energy: -89.850 flat angles P-C4'-P energy: -62.334 tors. eta vs tors. theta energy: -138.485 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: 3 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1548.477461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.477461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.477461 (E_RNA) where: Base-Base interactions energy: -1127.008 where: short stacking energy: -428.221 Base-Backbone interact. energy: -1.227 local terms energy: -420.241630 where: bonds (distance) C4'-P energy: -66.101 bonds (distance) P-C4' energy: -74.127 flat angles C4'-P-C4' energy: -84.172 flat angles P-C4'-P energy: -62.687 tors. eta vs tors. theta energy: -133.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1550.635106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.635106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.635106 (E_RNA) where: Base-Base interactions energy: -1122.598 where: short stacking energy: -430.354 Base-Backbone interact. energy: -0.685 local terms energy: -427.352401 where: bonds (distance) C4'-P energy: -69.029 bonds (distance) P-C4' energy: -77.862 flat angles C4'-P-C4' energy: -92.587 flat angles P-C4'-P energy: -58.914 tors. eta vs tors. theta energy: -128.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1520.693338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.693338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.693338 (E_RNA) where: Base-Base interactions energy: -1089.639 where: short stacking energy: -427.684 Base-Backbone interact. energy: -1.331 local terms energy: -429.723185 where: bonds (distance) C4'-P energy: -78.382 bonds (distance) P-C4' energy: -76.887 flat angles C4'-P-C4' energy: -85.218 flat angles P-C4'-P energy: -56.162 tors. eta vs tors. theta energy: -133.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1423.716154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.716154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.716154 (E_RNA) where: Base-Base interactions energy: -1030.873 where: short stacking energy: -399.387 Base-Backbone interact. energy: -0.418 local terms energy: -392.425031 where: bonds (distance) C4'-P energy: -56.858 bonds (distance) P-C4' energy: -78.124 flat angles C4'-P-C4' energy: -85.268 flat angles P-C4'-P energy: -54.657 tors. eta vs tors. theta energy: -117.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1417.757854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.757854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.757854 (E_RNA) where: Base-Base interactions energy: -1034.695 where: short stacking energy: -401.863 Base-Backbone interact. energy: -0.825 local terms energy: -382.238270 where: bonds (distance) C4'-P energy: -70.216 bonds (distance) P-C4' energy: -53.792 flat angles C4'-P-C4' energy: -79.032 flat angles P-C4'-P energy: -51.774 tors. eta vs tors. theta energy: -127.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1308.619282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.619282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.619282 (E_RNA) where: Base-Base interactions energy: -948.116 where: short stacking energy: -352.930 Base-Backbone interact. energy: -0.650 local terms energy: -359.853927 where: bonds (distance) C4'-P energy: -48.057 bonds (distance) P-C4' energy: -69.891 flat angles C4'-P-C4' energy: -80.335 flat angles P-C4'-P energy: -55.008 tors. eta vs tors. theta energy: -106.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1267.570220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.570220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.570220 (E_RNA) where: Base-Base interactions energy: -892.882 where: short stacking energy: -357.436 Base-Backbone interact. energy: -0.250 local terms energy: -374.437554 where: bonds (distance) C4'-P energy: -66.505 bonds (distance) P-C4' energy: -71.618 flat angles C4'-P-C4' energy: -77.611 flat angles P-C4'-P energy: -54.087 tors. eta vs tors. theta energy: -104.617 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: 10, replica: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -1211.528152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.528152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.528152 (E_RNA) where: Base-Base interactions energy: -883.346 where: short stacking energy: -343.131 Base-Backbone interact. energy: -0.379 local terms energy: -327.803757 where: bonds (distance) C4'-P energy: -57.361 bonds (distance) P-C4' energy: -59.112 flat angles C4'-P-C4' energy: -67.244 flat angles P-C4'-P energy: -50.082 tors. eta vs tors. theta energy: -94.005 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: 493 Temperature: 0.900000 Total energy: -1710.442430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.442430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.442430 (E_RNA) where: Base-Base interactions energy: -1258.661 where: short stacking energy: -490.940 Base-Backbone interact. energy: -0.045 local terms energy: -451.736964 where: bonds (distance) C4'-P energy: -69.178 bonds (distance) P-C4' energy: -73.242 flat angles C4'-P-C4' energy: -92.828 flat angles P-C4'-P energy: -69.201 tors. eta vs tors. theta energy: -147.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1618.733523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.733523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.733523 (E_RNA) where: Base-Base interactions energy: -1179.417 where: short stacking energy: -451.235 Base-Backbone interact. energy: -0.742 local terms energy: -438.574276 where: bonds (distance) C4'-P energy: -71.964 bonds (distance) P-C4' energy: -79.195 flat angles C4'-P-C4' energy: -90.985 flat angles P-C4'-P energy: -66.761 tors. eta vs tors. theta energy: -129.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1551.583572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.583572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.583572 (E_RNA) where: Base-Base interactions energy: -1120.351 where: short stacking energy: -435.821 Base-Backbone interact. energy: 0.238 local terms energy: -431.469752 where: bonds (distance) C4'-P energy: -71.776 bonds (distance) P-C4' energy: -72.525 flat angles C4'-P-C4' energy: -85.783 flat angles P-C4'-P energy: -68.626 tors. eta vs tors. theta energy: -132.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1573.209151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.209151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.209151 (E_RNA) where: Base-Base interactions energy: -1149.300 where: short stacking energy: -445.071 Base-Backbone interact. energy: 0.841 local terms energy: -424.749692 where: bonds (distance) C4'-P energy: -72.262 bonds (distance) P-C4' energy: -70.198 flat angles C4'-P-C4' energy: -82.862 flat angles P-C4'-P energy: -63.286 tors. eta vs tors. theta energy: -136.142 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: 5, replica: 1 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1548.217003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.217003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.217003 (E_RNA) where: Base-Base interactions energy: -1133.147 where: short stacking energy: -446.070 Base-Backbone interact. energy: 4.083 local terms energy: -419.153400 where: bonds (distance) C4'-P energy: -73.816 bonds (distance) P-C4' energy: -72.730 flat angles C4'-P-C4' energy: -89.412 flat angles P-C4'-P energy: -55.102 tors. eta vs tors. theta energy: -128.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1438.415465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.415465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.415465 (E_RNA) where: Base-Base interactions energy: -1044.766 where: short stacking energy: -411.324 Base-Backbone interact. energy: -1.258 local terms energy: -392.391528 where: bonds (distance) C4'-P energy: -59.696 bonds (distance) P-C4' energy: -70.991 flat angles C4'-P-C4' energy: -75.153 flat angles P-C4'-P energy: -62.801 tors. eta vs tors. theta energy: -123.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1400.348822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.348822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.348822 (E_RNA) where: Base-Base interactions energy: -1048.123 where: short stacking energy: -410.041 Base-Backbone interact. energy: -0.238 local terms energy: -351.987290 where: bonds (distance) C4'-P energy: -48.707 bonds (distance) P-C4' energy: -55.360 flat angles C4'-P-C4' energy: -73.420 flat angles P-C4'-P energy: -53.879 tors. eta vs tors. theta energy: -120.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1304.809724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.809724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.809724 (E_RNA) where: Base-Base interactions energy: -957.771 where: short stacking energy: -363.954 Base-Backbone interact. energy: -0.717 local terms energy: -346.321614 where: bonds (distance) C4'-P energy: -64.004 bonds (distance) P-C4' energy: -56.613 flat angles C4'-P-C4' energy: -69.925 flat angles P-C4'-P energy: -42.368 tors. eta vs tors. theta energy: -113.412 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: 493 Temperature: 1.300000 Total energy: -1259.657149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.657149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.657149 (E_RNA) where: Base-Base interactions energy: -884.811 where: short stacking energy: -354.513 Base-Backbone interact. energy: -0.572 local terms energy: -374.274342 where: bonds (distance) C4'-P energy: -67.834 bonds (distance) P-C4' energy: -73.288 flat angles C4'-P-C4' energy: -78.102 flat angles P-C4'-P energy: -50.609 tors. eta vs tors. theta energy: -104.441 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: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -1148.834428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.834428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.834428 (E_RNA) where: Base-Base interactions energy: -828.524 where: short stacking energy: -330.480 Base-Backbone interact. energy: -1.072 local terms energy: -319.238134 where: bonds (distance) C4'-P energy: -53.438 bonds (distance) P-C4' energy: -50.151 flat angles C4'-P-C4' energy: -69.755 flat angles P-C4'-P energy: -48.408 tors. eta vs tors. theta energy: -97.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1707.937567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.937567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.937567 (E_RNA) where: Base-Base interactions energy: -1249.797 where: short stacking energy: -495.621 Base-Backbone interact. energy: -0.256 local terms energy: -457.884693 where: bonds (distance) C4'-P energy: -75.577 bonds (distance) P-C4' energy: -86.823 flat angles C4'-P-C4' energy: -87.480 flat angles P-C4'-P energy: -57.413 tors. eta vs tors. theta energy: -150.592 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: 2 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1605.709574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.709574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.709574 (E_RNA) where: Base-Base interactions energy: -1172.778 where: short stacking energy: -465.216 Base-Backbone interact. energy: -0.463 local terms energy: -432.468084 where: bonds (distance) C4'-P energy: -75.080 bonds (distance) P-C4' energy: -71.675 flat angles C4'-P-C4' energy: -87.033 flat angles P-C4'-P energy: -59.868 tors. eta vs tors. theta energy: -138.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1578.917192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.917192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.917192 (E_RNA) where: Base-Base interactions energy: -1144.474 where: short stacking energy: -452.172 Base-Backbone interact. energy: -0.310 local terms energy: -434.133596 where: bonds (distance) C4'-P energy: -74.209 bonds (distance) P-C4' energy: -72.650 flat angles C4'-P-C4' energy: -87.766 flat angles P-C4'-P energy: -64.675 tors. eta vs tors. theta energy: -134.833 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: 494 Temperature: 1.050000 Total energy: -1533.910115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.910115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.910115 (E_RNA) where: Base-Base interactions energy: -1122.668 where: short stacking energy: -427.602 Base-Backbone interact. energy: 0.179 local terms energy: -411.420695 where: bonds (distance) C4'-P energy: -65.424 bonds (distance) P-C4' energy: -66.273 flat angles C4'-P-C4' energy: -93.590 flat angles P-C4'-P energy: -49.000 tors. eta vs tors. theta energy: -137.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1530.002712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.002712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.002712 (E_RNA) where: Base-Base interactions energy: -1111.614 where: short stacking energy: -428.183 Base-Backbone interact. energy: 0.294 local terms energy: -418.683658 where: bonds (distance) C4'-P energy: -71.716 bonds (distance) P-C4' energy: -71.381 flat angles C4'-P-C4' energy: -93.325 flat angles P-C4'-P energy: -50.579 tors. eta vs tors. theta energy: -131.682 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: 10 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1462.498913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.498913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.498913 (E_RNA) where: Base-Base interactions energy: -1027.171 where: short stacking energy: -395.223 Base-Backbone interact. energy: -0.104 local terms energy: -435.223900 where: bonds (distance) C4'-P energy: -79.546 bonds (distance) P-C4' energy: -69.411 flat angles C4'-P-C4' energy: -88.156 flat angles P-C4'-P energy: -63.954 tors. eta vs tors. theta energy: -134.156 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: 7, replica: 9 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1434.132412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.132412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.132412 (E_RNA) where: Base-Base interactions energy: -1055.714 where: short stacking energy: -429.529 Base-Backbone interact. energy: -2.184 local terms energy: -376.234691 where: bonds (distance) C4'-P energy: -51.652 bonds (distance) P-C4' energy: -59.499 flat angles C4'-P-C4' energy: -79.546 flat angles P-C4'-P energy: -67.902 tors. eta vs tors. theta energy: -117.635 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: 494 Temperature: 1.250000 Total energy: -1308.542737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.542737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.542737 (E_RNA) where: Base-Base interactions energy: -940.707 where: short stacking energy: -372.288 Base-Backbone interact. energy: 1.861 local terms energy: -369.696906 where: bonds (distance) C4'-P energy: -63.556 bonds (distance) P-C4' energy: -61.012 flat angles C4'-P-C4' energy: -82.781 flat angles P-C4'-P energy: -55.226 tors. eta vs tors. theta energy: -107.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1225.344683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.344683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.344683 (E_RNA) where: Base-Base interactions energy: -880.574 where: short stacking energy: -353.383 Base-Backbone interact. energy: -0.944 local terms energy: -343.826647 where: bonds (distance) C4'-P energy: -72.975 bonds (distance) P-C4' energy: -61.448 flat angles C4'-P-C4' energy: -66.566 flat angles P-C4'-P energy: -54.142 tors. eta vs tors. theta energy: -88.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -1139.182368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.182368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.182368 (E_RNA) where: Base-Base interactions energy: -786.266 where: short stacking energy: -323.883 Base-Backbone interact. energy: 0.124 local terms energy: -353.039899 where: bonds (distance) C4'-P energy: -69.890 bonds (distance) P-C4' energy: -74.514 flat angles C4'-P-C4' energy: -79.391 flat angles P-C4'-P energy: -40.272 tors. eta vs tors. theta energy: -88.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1699.957511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.957511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.957511 (E_RNA) where: Base-Base interactions energy: -1250.150 where: short stacking energy: -482.799 Base-Backbone interact. energy: -0.071 local terms energy: -449.735872 where: bonds (distance) C4'-P energy: -71.105 bonds (distance) P-C4' energy: -74.323 flat angles C4'-P-C4' energy: -88.551 flat angles P-C4'-P energy: -69.861 tors. eta vs tors. theta energy: -145.896 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: 2, replica: 2 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1611.724599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.724599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.724599 (E_RNA) where: Base-Base interactions energy: -1168.498 where: short stacking energy: -456.802 Base-Backbone interact. energy: -0.175 local terms energy: -443.051633 where: bonds (distance) C4'-P energy: -74.394 bonds (distance) P-C4' energy: -75.137 flat angles C4'-P-C4' energy: -86.749 flat angles P-C4'-P energy: -73.273 tors. eta vs tors. theta energy: -133.498 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: 6 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1562.731363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.731363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.731363 (E_RNA) where: Base-Base interactions energy: -1136.604 where: short stacking energy: -449.587 Base-Backbone interact. energy: -0.359 local terms energy: -425.768476 where: bonds (distance) C4'-P energy: -61.522 bonds (distance) P-C4' energy: -77.316 flat angles C4'-P-C4' energy: -85.137 flat angles P-C4'-P energy: -70.516 tors. eta vs tors. theta energy: -131.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1545.278480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.278480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.278480 (E_RNA) where: Base-Base interactions energy: -1130.256 where: short stacking energy: -451.987 Base-Backbone interact. energy: -0.866 local terms energy: -414.156659 where: bonds (distance) C4'-P energy: -65.718 bonds (distance) P-C4' energy: -66.701 flat angles C4'-P-C4' energy: -90.544 flat angles P-C4'-P energy: -60.068 tors. eta vs tors. theta energy: -131.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1510.332863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.332863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.332863 (E_RNA) where: Base-Base interactions energy: -1073.111 where: short stacking energy: -413.032 Base-Backbone interact. energy: 0.090 local terms energy: -437.312692 where: bonds (distance) C4'-P energy: -68.878 bonds (distance) P-C4' energy: -87.922 flat angles C4'-P-C4' energy: -88.650 flat angles P-C4'-P energy: -64.625 tors. eta vs tors. theta energy: -127.238 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: 10 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1466.846902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.846902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.846902 (E_RNA) where: Base-Base interactions energy: -1048.759 where: short stacking energy: -413.955 Base-Backbone interact. energy: -0.164 local terms energy: -417.924332 where: bonds (distance) C4'-P energy: -78.508 bonds (distance) P-C4' energy: -60.240 flat angles C4'-P-C4' energy: -92.848 flat angles P-C4'-P energy: -62.461 tors. eta vs tors. theta energy: -123.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1428.230479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.230479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.230479 (E_RNA) where: Base-Base interactions energy: -1046.883 where: short stacking energy: -403.981 Base-Backbone interact. energy: 0.137 local terms energy: -381.484823 where: bonds (distance) C4'-P energy: -70.912 bonds (distance) P-C4' energy: -66.189 flat angles C4'-P-C4' energy: -77.291 flat angles P-C4'-P energy: -49.855 tors. eta vs tors. theta energy: -117.237 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: 495 Temperature: 1.250000 Total energy: -1303.907754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.907754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.907754 (E_RNA) where: Base-Base interactions energy: -950.773 where: short stacking energy: -358.307 Base-Backbone interact. energy: -0.629 local terms energy: -352.505140 where: bonds (distance) C4'-P energy: -62.526 bonds (distance) P-C4' energy: -63.645 flat angles C4'-P-C4' energy: -72.820 flat angles P-C4'-P energy: -44.811 tors. eta vs tors. theta energy: -108.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1289.205578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.205578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.205578 (E_RNA) where: Base-Base interactions energy: -948.985 where: short stacking energy: -369.702 Base-Backbone interact. energy: -1.751 local terms energy: -338.469389 where: bonds (distance) C4'-P energy: -59.764 bonds (distance) P-C4' energy: -61.900 flat angles C4'-P-C4' energy: -66.412 flat angles P-C4'-P energy: -47.043 tors. eta vs tors. theta energy: -103.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -1130.019137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.019137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.019137 (E_RNA) where: Base-Base interactions energy: -806.504 where: short stacking energy: -326.103 Base-Backbone interact. energy: 2.618 local terms energy: -326.132266 where: bonds (distance) C4'-P energy: -57.757 bonds (distance) P-C4' energy: -53.014 flat angles C4'-P-C4' energy: -66.991 flat angles P-C4'-P energy: -51.550 tors. eta vs tors. theta energy: -96.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1699.257082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.257082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.257082 (E_RNA) where: Base-Base interactions energy: -1242.887 where: short stacking energy: -490.279 Base-Backbone interact. energy: -0.529 local terms energy: -455.841305 where: bonds (distance) C4'-P energy: -74.495 bonds (distance) P-C4' energy: -74.174 flat angles C4'-P-C4' energy: -92.556 flat angles P-C4'-P energy: -65.205 tors. eta vs tors. theta energy: -149.412 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: 2 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1591.581744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.581744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.581744 (E_RNA) where: Base-Base interactions energy: -1157.211 where: short stacking energy: -452.104 Base-Backbone interact. energy: -0.750 local terms energy: -433.620000 where: bonds (distance) C4'-P energy: -78.526 bonds (distance) P-C4' energy: -66.843 flat angles C4'-P-C4' energy: -96.446 flat angles P-C4'-P energy: -60.180 tors. eta vs tors. theta energy: -131.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1579.285883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.285883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.285883 (E_RNA) where: Base-Base interactions energy: -1145.560 where: short stacking energy: -437.921 Base-Backbone interact. energy: -0.473 local terms energy: -433.252377 where: bonds (distance) C4'-P energy: -72.886 bonds (distance) P-C4' energy: -82.137 flat angles C4'-P-C4' energy: -88.912 flat angles P-C4'-P energy: -53.817 tors. eta vs tors. theta energy: -135.500 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: 1 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1560.445604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.445604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.445604 (E_RNA) where: Base-Base interactions energy: -1137.845 where: short stacking energy: -442.764 Base-Backbone interact. energy: -0.396 local terms energy: -422.205304 where: bonds (distance) C4'-P energy: -72.630 bonds (distance) P-C4' energy: -75.084 flat angles C4'-P-C4' energy: -80.567 flat angles P-C4'-P energy: -62.447 tors. eta vs tors. theta energy: -131.477 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: 3 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1498.521259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.521259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.521259 (E_RNA) where: Base-Base interactions energy: -1076.325 where: short stacking energy: -407.371 Base-Backbone interact. energy: -0.711 local terms energy: -421.484918 where: bonds (distance) C4'-P energy: -72.869 bonds (distance) P-C4' energy: -73.244 flat angles C4'-P-C4' energy: -81.883 flat angles P-C4'-P energy: -62.128 tors. eta vs tors. theta energy: -131.362 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: 6, replica: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1452.203583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.203583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.203583 (E_RNA) where: Base-Base interactions energy: -1062.260 where: short stacking energy: -420.086 Base-Backbone interact. energy: -0.479 local terms energy: -389.464042 where: bonds (distance) C4'-P energy: -71.703 bonds (distance) P-C4' energy: -58.347 flat angles C4'-P-C4' energy: -83.220 flat angles P-C4'-P energy: -51.877 tors. eta vs tors. theta energy: -124.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1402.696721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.696721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.696721 (E_RNA) where: Base-Base interactions energy: -1021.369 where: short stacking energy: -388.906 Base-Backbone interact. energy: -1.625 local terms energy: -379.701807 where: bonds (distance) C4'-P energy: -68.403 bonds (distance) P-C4' energy: -59.007 flat angles C4'-P-C4' energy: -79.025 flat angles P-C4'-P energy: -52.915 tors. eta vs tors. theta energy: -120.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1291.587265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.587265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.587265 (E_RNA) where: Base-Base interactions energy: -939.357 where: short stacking energy: -364.962 Base-Backbone interact. energy: -0.304 local terms energy: -351.925852 where: bonds (distance) C4'-P energy: -58.145 bonds (distance) P-C4' energy: -56.144 flat angles C4'-P-C4' energy: -77.274 flat angles P-C4'-P energy: -51.422 tors. eta vs tors. theta energy: -108.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1289.615558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.615558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.615558 (E_RNA) where: Base-Base interactions energy: -924.334 where: short stacking energy: -356.975 Base-Backbone interact. energy: -1.025 local terms energy: -364.255746 where: bonds (distance) C4'-P energy: -62.236 bonds (distance) P-C4' energy: -71.533 flat angles C4'-P-C4' energy: -78.814 flat angles P-C4'-P energy: -54.893 tors. eta vs tors. theta energy: -96.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -1166.719521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.719521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.719521 (E_RNA) where: Base-Base interactions energy: -825.171 where: short stacking energy: -332.184 Base-Backbone interact. energy: -0.090 local terms energy: -341.459322 where: bonds (distance) C4'-P energy: -57.387 bonds (distance) P-C4' energy: -61.852 flat angles C4'-P-C4' energy: -74.100 flat angles P-C4'-P energy: -43.698 tors. eta vs tors. theta energy: -104.422 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: 5 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1709.392012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.392012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.392012 (E_RNA) where: Base-Base interactions energy: -1255.123 where: short stacking energy: -498.071 Base-Backbone interact. energy: -0.329 local terms energy: -453.939737 where: bonds (distance) C4'-P energy: -83.402 bonds (distance) P-C4' energy: -68.522 flat angles C4'-P-C4' energy: -84.884 flat angles P-C4'-P energy: -66.037 tors. eta vs tors. theta energy: -151.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1599.027956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.027956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.027956 (E_RNA) where: Base-Base interactions energy: -1154.115 where: short stacking energy: -444.702 Base-Backbone interact. energy: -0.049 local terms energy: -444.863849 where: bonds (distance) C4'-P energy: -84.073 bonds (distance) P-C4' energy: -70.641 flat angles C4'-P-C4' energy: -90.996 flat angles P-C4'-P energy: -66.000 tors. eta vs tors. theta energy: -133.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1578.427198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.427198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.427198 (E_RNA) where: Base-Base interactions energy: -1138.947 where: short stacking energy: -457.186 Base-Backbone interact. energy: 0.846 local terms energy: -440.326485 where: bonds (distance) C4'-P energy: -76.557 bonds (distance) P-C4' energy: -73.558 flat angles C4'-P-C4' energy: -90.318 flat angles P-C4'-P energy: -62.297 tors. eta vs tors. theta energy: -137.597 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: 1 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1569.132310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.132310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.132310 (E_RNA) where: Base-Base interactions energy: -1143.179 where: short stacking energy: -442.470 Base-Backbone interact. energy: 0.110 local terms energy: -426.064142 where: bonds (distance) C4'-P energy: -73.928 bonds (distance) P-C4' energy: -73.990 flat angles C4'-P-C4' energy: -90.614 flat angles P-C4'-P energy: -53.285 tors. eta vs tors. theta energy: -134.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1508.561858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.561858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.561858 (E_RNA) where: Base-Base interactions energy: -1125.493 where: short stacking energy: -420.882 Base-Backbone interact. energy: -0.752 local terms energy: -382.316349 where: bonds (distance) C4'-P energy: -57.169 bonds (distance) P-C4' energy: -57.682 flat angles C4'-P-C4' energy: -78.588 flat angles P-C4'-P energy: -58.502 tors. eta vs tors. theta energy: -130.374 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: 6, replica: 9 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1474.759399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.759399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.759399 (E_RNA) where: Base-Base interactions energy: -1077.859 where: short stacking energy: -432.118 Base-Backbone interact. energy: -0.167 local terms energy: -396.733845 where: bonds (distance) C4'-P energy: -69.971 bonds (distance) P-C4' energy: -71.400 flat angles C4'-P-C4' energy: -77.626 flat angles P-C4'-P energy: -50.722 tors. eta vs tors. theta energy: -127.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1443.135982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.135982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.135982 (E_RNA) where: Base-Base interactions energy: -1062.709 where: short stacking energy: -411.218 Base-Backbone interact. energy: -0.749 local terms energy: -379.677959 where: bonds (distance) C4'-P energy: -60.964 bonds (distance) P-C4' energy: -56.496 flat angles C4'-P-C4' energy: -82.036 flat angles P-C4'-P energy: -60.090 tors. eta vs tors. theta energy: -120.092 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: 497 Temperature: 1.250000 Total energy: -1324.774606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.774606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.774606 (E_RNA) where: Base-Base interactions energy: -964.204 where: short stacking energy: -370.366 Base-Backbone interact. energy: -0.422 local terms energy: -360.148960 where: bonds (distance) C4'-P energy: -62.299 bonds (distance) P-C4' energy: -58.677 flat angles C4'-P-C4' energy: -73.812 flat angles P-C4'-P energy: -56.583 tors. eta vs tors. theta energy: -108.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1268.070792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.070792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.070792 (E_RNA) where: Base-Base interactions energy: -928.384 where: short stacking energy: -366.583 Base-Backbone interact. energy: 1.843 local terms energy: -341.530123 where: bonds (distance) C4'-P energy: -45.757 bonds (distance) P-C4' energy: -58.268 flat angles C4'-P-C4' energy: -83.919 flat angles P-C4'-P energy: -50.105 tors. eta vs tors. theta energy: -103.482 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: 4 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -1180.912244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.912244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.912244 (E_RNA) where: Base-Base interactions energy: -850.392 where: short stacking energy: -352.796 Base-Backbone interact. energy: 1.196 local terms energy: -331.716549 where: bonds (distance) C4'-P energy: -54.057 bonds (distance) P-C4' energy: -59.450 flat angles C4'-P-C4' energy: -73.259 flat angles P-C4'-P energy: -42.896 tors. eta vs tors. theta energy: -102.055 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: 498 Temperature: 0.900000 Total energy: -1701.226167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.226167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.226167 (E_RNA) where: Base-Base interactions energy: -1246.411 where: short stacking energy: -479.553 Base-Backbone interact. energy: -0.075 local terms energy: -454.740024 where: bonds (distance) C4'-P energy: -83.318 bonds (distance) P-C4' energy: -65.184 flat angles C4'-P-C4' energy: -84.326 flat angles P-C4'-P energy: -74.092 tors. eta vs tors. theta energy: -147.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1602.045314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.045314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.045314 (E_RNA) where: Base-Base interactions energy: -1168.501 where: short stacking energy: -445.995 Base-Backbone interact. energy: -0.416 local terms energy: -433.127566 where: bonds (distance) C4'-P energy: -69.133 bonds (distance) P-C4' energy: -76.872 flat angles C4'-P-C4' energy: -96.765 flat angles P-C4'-P energy: -57.169 tors. eta vs tors. theta energy: -133.189 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: 1 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1574.221542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.221542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.221542 (E_RNA) where: Base-Base interactions energy: -1149.448 where: short stacking energy: -460.724 Base-Backbone interact. energy: 1.377 local terms energy: -426.150900 where: bonds (distance) C4'-P energy: -69.941 bonds (distance) P-C4' energy: -69.309 flat angles C4'-P-C4' energy: -91.016 flat angles P-C4'-P energy: -63.665 tors. eta vs tors. theta energy: -132.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1544.835118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.835118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.835118 (E_RNA) where: Base-Base interactions energy: -1125.280 where: short stacking energy: -428.956 Base-Backbone interact. energy: 3.510 local terms energy: -423.064351 where: bonds (distance) C4'-P energy: -71.180 bonds (distance) P-C4' energy: -77.820 flat angles C4'-P-C4' energy: -78.851 flat angles P-C4'-P energy: -63.689 tors. eta vs tors. theta energy: -131.524 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: 3 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1500.606069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.606069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.606069 (E_RNA) where: Base-Base interactions energy: -1092.655 where: short stacking energy: -406.954 Base-Backbone interact. energy: 0.354 local terms energy: -408.304308 where: bonds (distance) C4'-P energy: -78.363 bonds (distance) P-C4' energy: -59.827 flat angles C4'-P-C4' energy: -86.775 flat angles P-C4'-P energy: -60.047 tors. eta vs tors. theta energy: -123.292 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: 9 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1458.663464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.663464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.663464 (E_RNA) where: Base-Base interactions energy: -1068.242 where: short stacking energy: -430.662 Base-Backbone interact. energy: -0.011 local terms energy: -390.410747 where: bonds (distance) C4'-P energy: -59.831 bonds (distance) P-C4' energy: -65.676 flat angles C4'-P-C4' energy: -82.844 flat angles P-C4'-P energy: -52.683 tors. eta vs tors. theta energy: -129.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1362.370084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.370084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.370084 (E_RNA) where: Base-Base interactions energy: -981.168 where: short stacking energy: -386.392 Base-Backbone interact. energy: 10.515 local terms energy: -391.717653 where: bonds (distance) C4'-P energy: -67.502 bonds (distance) P-C4' energy: -79.507 flat angles C4'-P-C4' energy: -79.175 flat angles P-C4'-P energy: -53.053 tors. eta vs tors. theta energy: -112.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1429.740840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.740840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.740840 (E_RNA) where: Base-Base interactions energy: -1055.803 where: short stacking energy: -410.564 Base-Backbone interact. energy: -0.243 local terms energy: -373.695082 where: bonds (distance) C4'-P energy: -66.887 bonds (distance) P-C4' energy: -60.071 flat angles C4'-P-C4' energy: -79.440 flat angles P-C4'-P energy: -49.853 tors. eta vs tors. theta energy: -117.444 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: 9, replica: 8 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1320.895936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.895936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.895936 (E_RNA) where: Base-Base interactions energy: -984.088 where: short stacking energy: -378.334 Base-Backbone interact. energy: 5.417 local terms energy: -342.225351 where: bonds (distance) C4'-P energy: -57.916 bonds (distance) P-C4' energy: -47.848 flat angles C4'-P-C4' energy: -78.594 flat angles P-C4'-P energy: -44.750 tors. eta vs tors. theta energy: -113.118 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: 4 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -1141.103121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.103121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.103121 (E_RNA) where: Base-Base interactions energy: -800.838 where: short stacking energy: -321.493 Base-Backbone interact. energy: -0.361 local terms energy: -339.903741 where: bonds (distance) C4'-P energy: -68.310 bonds (distance) P-C4' energy: -59.848 flat angles C4'-P-C4' energy: -70.448 flat angles P-C4'-P energy: -49.309 tors. eta vs tors. theta energy: -91.990 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)