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/Utr2-717891de/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Utr2-717891de/inputs/seq.fa: 1 curr_seq: _AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/Utr2-717891de/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Utr2-717891de/inputs/seq.fa: 1 curr_seq: _AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/Utr2-717891de/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Utr2-717891de/inputs/seq.fa: 1 curr_seq: _AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/Utr2-717891de/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Utr2-717891de/inputs/seq.fa: 1 curr_seq: _AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/Utr2-717891de/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Utr2-717891de/inputs/seq.fa: 1 curr_seq: _AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/Utr2-717891de/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Utr2-717891de/inputs/seq.fa: 1 curr_seq: _AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/Utr2-717891de/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Utr2-717891de/inputs/seq.fa: 1 curr_seq: _AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/Utr2-717891de/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Utr2-717891de/inputs/seq.fa: 1 curr_seq: _AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/Utr2-717891de/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Utr2-717891de/inputs/seq.fa: 1 curr_seq: _AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/Utr2-717891de/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Utr2-717891de/inputs/seq.fa: 1 curr_seq: _AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AGGCUGAUCACACCUACACUAAACACACACAGACACGUUAGAGUAGAGCGCCCUGGAAAAACCAGGUUGCGGUGUUAGCGCCACCGUACACGAACACGACAAAACUGAAUUGGGGGAAAAAGUAAAA 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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: -516.028460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.028460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.028460 (E_RNA) where: Base-Base interactions energy: -21.552 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -516.028460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.028460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.028460 (E_RNA) where: Base-Base interactions energy: -21.552 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -516.028460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.028460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.028460 (E_RNA) where: Base-Base interactions energy: -21.552 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -516.028460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.028460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.028460 (E_RNA) where: Base-Base interactions energy: -21.552 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -516.028460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.028460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.028460 (E_RNA) where: Base-Base interactions energy: -21.552 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -516.028460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.028460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.028460 (E_RNA) where: Base-Base interactions energy: -21.552 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -516.028460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.028460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.028460 (E_RNA) where: Base-Base interactions energy: -21.552 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -516.028460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.028460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.028460 (E_RNA) where: Base-Base interactions energy: -21.552 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -516.028460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.028460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.028460 (E_RNA) where: Base-Base interactions energy: -21.552 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -516.028460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.028460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.028460 (E_RNA) where: Base-Base interactions energy: -21.552 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -672.439699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.439699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.439699 (E_RNA) where: Base-Base interactions energy: -284.986 where: short stacking energy: -281.658 Base-Backbone interact. energy: -0.342 local terms energy: -387.112517 where: bonds (distance) C4'-P energy: -81.592 bonds (distance) P-C4' energy: -88.503 flat angles C4'-P-C4' energy: -86.107 flat angles P-C4'-P energy: -61.720 tors. eta vs tors. theta energy: -69.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -626.496495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.496495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.496495 (E_RNA) where: Base-Base interactions energy: -265.431 where: short stacking energy: -263.282 Base-Backbone interact. energy: -0.063 local terms energy: -361.002847 where: bonds (distance) C4'-P energy: -83.668 bonds (distance) P-C4' energy: -76.977 flat angles C4'-P-C4' energy: -79.903 flat angles P-C4'-P energy: -54.369 tors. eta vs tors. theta energy: -66.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -565.027958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.027958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.027958 (E_RNA) where: Base-Base interactions energy: -233.742 where: short stacking energy: -230.808 Base-Backbone interact. energy: -0.504 local terms energy: -330.782523 where: bonds (distance) C4'-P energy: -72.572 bonds (distance) P-C4' energy: -85.059 flat angles C4'-P-C4' energy: -79.344 flat angles P-C4'-P energy: -50.273 tors. eta vs tors. theta energy: -43.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -543.627493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.627493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.627493 (E_RNA) where: Base-Base interactions energy: -228.191 where: short stacking energy: -224.297 Base-Backbone interact. energy: 1.298 local terms energy: -316.735072 where: bonds (distance) C4'-P energy: -75.860 bonds (distance) P-C4' energy: -77.134 flat angles C4'-P-C4' energy: -63.263 flat angles P-C4'-P energy: -47.781 tors. eta vs tors. theta energy: -52.697 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -524.186045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.186045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.186045 (E_RNA) where: Base-Base interactions energy: -197.617 where: short stacking energy: -197.179 Base-Backbone interact. energy: -0.374 local terms energy: -326.195846 where: bonds (distance) C4'-P energy: -80.168 bonds (distance) P-C4' energy: -72.664 flat angles C4'-P-C4' energy: -73.639 flat angles P-C4'-P energy: -54.627 tors. eta vs tors. theta energy: -45.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -517.163019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.163019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.163019 (E_RNA) where: Base-Base interactions energy: -23.707 where: short stacking energy: -23.707 Base-Backbone interact. energy: -0.000 local terms energy: -493.455683 where: bonds (distance) C4'-P energy: -123.159 bonds (distance) P-C4' energy: -114.502 flat angles C4'-P-C4' energy: -92.365 flat angles P-C4'-P energy: -106.468 tors. eta vs tors. theta energy: -56.963 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: 2 Temperature: 1.200000 Total energy: -516.799718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.799718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.799718 (E_RNA) where: Base-Base interactions energy: -23.327 where: short stacking energy: -23.327 Base-Backbone interact. energy: -0.000 local terms energy: -493.472342 where: bonds (distance) C4'-P energy: -123.159 bonds (distance) P-C4' energy: -114.502 flat angles C4'-P-C4' energy: -92.365 flat angles P-C4'-P energy: -106.505 tors. eta vs tors. theta energy: -56.942 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: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -516.507895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.507895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.507895 (E_RNA) where: Base-Base interactions energy: -23.035 where: short stacking energy: -23.035 Base-Backbone interact. energy: -0.000 local terms energy: -493.472342 where: bonds (distance) C4'-P energy: -123.159 bonds (distance) P-C4' energy: -114.502 flat angles C4'-P-C4' energy: -92.365 flat angles P-C4'-P energy: -106.505 tors. eta vs tors. theta energy: -56.942 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -516.099753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.099753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.099753 (E_RNA) where: Base-Base interactions energy: -22.627 where: short stacking energy: -22.627 Base-Backbone interact. energy: -0.000 local terms energy: -493.472342 where: bonds (distance) C4'-P energy: -123.159 bonds (distance) P-C4' energy: -114.502 flat angles C4'-P-C4' energy: -92.365 flat angles P-C4'-P energy: -106.505 tors. eta vs tors. theta energy: -56.942 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -514.537152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.537152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.537152 (E_RNA) where: Base-Base interactions energy: -23.789 where: short stacking energy: -23.789 Base-Backbone interact. energy: -0.000 local terms energy: -490.748249 where: bonds (distance) C4'-P energy: -122.687 bonds (distance) P-C4' energy: -112.477 flat angles C4'-P-C4' energy: -92.679 flat angles P-C4'-P energy: -105.993 tors. eta vs tors. theta energy: -56.913 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -696.147558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.147558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.147558 (E_RNA) where: Base-Base interactions energy: -303.460 where: short stacking energy: -297.985 Base-Backbone interact. energy: -0.366 local terms energy: -392.321881 where: bonds (distance) C4'-P energy: -87.983 bonds (distance) P-C4' energy: -87.996 flat angles C4'-P-C4' energy: -87.879 flat angles P-C4'-P energy: -47.111 tors. eta vs tors. theta energy: -81.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -651.401564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.401564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.401564 (E_RNA) where: Base-Base interactions energy: -287.870 where: short stacking energy: -247.910 Base-Backbone interact. energy: -1.700 local terms energy: -361.831345 where: bonds (distance) C4'-P energy: -81.422 bonds (distance) P-C4' energy: -89.316 flat angles C4'-P-C4' energy: -79.203 flat angles P-C4'-P energy: -54.335 tors. eta vs tors. theta energy: -57.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -657.198670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.198670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.198670 (E_RNA) where: Base-Base interactions energy: -333.625 where: short stacking energy: -293.005 Base-Backbone interact. energy: -1.183 local terms energy: -322.390274 where: bonds (distance) C4'-P energy: -56.645 bonds (distance) P-C4' energy: -81.648 flat angles C4'-P-C4' energy: -71.548 flat angles P-C4'-P energy: -44.689 tors. eta vs tors. theta energy: -67.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -544.526661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.526661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.526661 (E_RNA) where: Base-Base interactions energy: -236.274 where: short stacking energy: -188.220 Base-Backbone interact. energy: 0.359 local terms energy: -308.611825 where: bonds (distance) C4'-P energy: -74.593 bonds (distance) P-C4' energy: -85.167 flat angles C4'-P-C4' energy: -74.784 flat angles P-C4'-P energy: -44.777 tors. eta vs tors. theta energy: -29.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -495.476578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.476578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.476578 (E_RNA) where: Base-Base interactions energy: -206.662 where: short stacking energy: -201.327 Base-Backbone interact. energy: -0.758 local terms energy: -288.057244 where: bonds (distance) C4'-P energy: -75.963 bonds (distance) P-C4' energy: -71.099 flat angles C4'-P-C4' energy: -77.233 flat angles P-C4'-P energy: -38.314 tors. eta vs tors. theta energy: -25.448 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: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -469.807979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.807979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.807979 (E_RNA) where: Base-Base interactions energy: -200.758 where: short stacking energy: -129.695 Base-Backbone interact. energy: -1.546 local terms energy: -267.503223 where: bonds (distance) C4'-P energy: -52.604 bonds (distance) P-C4' energy: -87.353 flat angles C4'-P-C4' energy: -67.822 flat angles P-C4'-P energy: -44.735 tors. eta vs tors. theta energy: -14.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -404.878460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.878460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.878460 (E_RNA) where: Base-Base interactions energy: -164.727 where: short stacking energy: -147.986 Base-Backbone interact. energy: -0.415 local terms energy: -239.736338 where: bonds (distance) C4'-P energy: -61.667 bonds (distance) P-C4' energy: -69.602 flat angles C4'-P-C4' energy: -68.871 flat angles P-C4'-P energy: -17.792 tors. eta vs tors. theta energy: -21.804 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: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -379.224147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.224147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.224147 (E_RNA) where: Base-Base interactions energy: -134.913 where: short stacking energy: -100.428 Base-Backbone interact. energy: 0.160 local terms energy: -244.470954 where: bonds (distance) C4'-P energy: -70.916 bonds (distance) P-C4' energy: -76.239 flat angles C4'-P-C4' energy: -51.878 flat angles P-C4'-P energy: -41.174 tors. eta vs tors. theta energy: -4.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -386.640580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.640580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.640580 (E_RNA) where: Base-Base interactions energy: -145.412 where: short stacking energy: -107.979 Base-Backbone interact. energy: 6.798 local terms energy: -248.026704 where: bonds (distance) C4'-P energy: -59.935 bonds (distance) P-C4' energy: -80.184 flat angles C4'-P-C4' energy: -63.665 flat angles P-C4'-P energy: -43.489 tors. eta vs tors. theta energy: -0.755 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -332.327822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.327822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.327822 (E_RNA) where: Base-Base interactions energy: -121.533 where: short stacking energy: -96.571 Base-Backbone interact. energy: 4.553 local terms energy: -215.347266 where: bonds (distance) C4'-P energy: -71.064 bonds (distance) P-C4' energy: -67.247 flat angles C4'-P-C4' energy: -54.312 flat angles P-C4'-P energy: -33.289 tors. eta vs tors. theta energy: 10.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -702.879888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.879888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.879888 (E_RNA) where: Base-Base interactions energy: -312.112 where: short stacking energy: -300.234 Base-Backbone interact. energy: 0.730 local terms energy: -391.497150 where: bonds (distance) C4'-P energy: -80.726 bonds (distance) P-C4' energy: -91.668 flat angles C4'-P-C4' energy: -84.573 flat angles P-C4'-P energy: -47.228 tors. eta vs tors. theta energy: -87.303 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: 4 Temperature: 0.950000 Total energy: -700.510000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.510000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.510000 (E_RNA) where: Base-Base interactions energy: -341.543 where: short stacking energy: -272.777 Base-Backbone interact. energy: -0.299 local terms energy: -358.668085 where: bonds (distance) C4'-P energy: -80.866 bonds (distance) P-C4' energy: -78.705 flat angles C4'-P-C4' energy: -81.978 flat angles P-C4'-P energy: -46.443 tors. eta vs tors. theta energy: -70.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -645.916190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.916190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.916190 (E_RNA) where: Base-Base interactions energy: -347.662 where: short stacking energy: -222.715 Base-Backbone interact. energy: 1.251 local terms energy: -299.505167 where: bonds (distance) C4'-P energy: -62.745 bonds (distance) P-C4' energy: -72.492 flat angles C4'-P-C4' energy: -71.272 flat angles P-C4'-P energy: -51.078 tors. eta vs tors. theta energy: -41.918 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -642.447000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.447000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.447000 (E_RNA) where: Base-Base interactions energy: -321.103 where: short stacking energy: -233.733 Base-Backbone interact. energy: -0.410 local terms energy: -320.933881 where: bonds (distance) C4'-P energy: -61.859 bonds (distance) P-C4' energy: -75.411 flat angles C4'-P-C4' energy: -85.214 flat angles P-C4'-P energy: -49.559 tors. eta vs tors. theta energy: -48.892 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: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -580.402516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.402516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.402516 (E_RNA) where: Base-Base interactions energy: -294.550 where: short stacking energy: -190.213 Base-Backbone interact. energy: -3.445 local terms energy: -282.407640 where: bonds (distance) C4'-P energy: -69.622 bonds (distance) P-C4' energy: -78.870 flat angles C4'-P-C4' energy: -66.532 flat angles P-C4'-P energy: -40.103 tors. eta vs tors. theta energy: -27.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -492.563905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.563905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.563905 (E_RNA) where: Base-Base interactions energy: -238.013 where: short stacking energy: -162.094 Base-Backbone interact. energy: 1.199 local terms energy: -255.749834 where: bonds (distance) C4'-P energy: -63.360 bonds (distance) P-C4' energy: -69.915 flat angles C4'-P-C4' energy: -71.512 flat angles P-C4'-P energy: -28.385 tors. eta vs tors. theta energy: -22.579 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: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -416.107817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.107817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.107817 (E_RNA) where: Base-Base interactions energy: -176.504 where: short stacking energy: -147.380 Base-Backbone interact. energy: 6.134 local terms energy: -245.737275 where: bonds (distance) C4'-P energy: -63.560 bonds (distance) P-C4' energy: -67.795 flat angles C4'-P-C4' energy: -62.557 flat angles P-C4'-P energy: -42.168 tors. eta vs tors. theta energy: -9.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -365.158901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.158901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.158901 (E_RNA) where: Base-Base interactions energy: -144.029 where: short stacking energy: -106.874 Base-Backbone interact. energy: -0.505 local terms energy: -220.624517 where: bonds (distance) C4'-P energy: -62.065 bonds (distance) P-C4' energy: -63.137 flat angles C4'-P-C4' energy: -70.747 flat angles P-C4'-P energy: -34.109 tors. eta vs tors. theta energy: 9.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -343.231802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.231802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.231802 (E_RNA) where: Base-Base interactions energy: -124.965 where: short stacking energy: -94.252 Base-Backbone interact. energy: -1.530 local terms energy: -216.736867 where: bonds (distance) C4'-P energy: -60.656 bonds (distance) P-C4' energy: -69.471 flat angles C4'-P-C4' energy: -60.055 flat angles P-C4'-P energy: -39.337 tors. eta vs tors. theta energy: 12.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -303.198344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.198344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.198344 (E_RNA) where: Base-Base interactions energy: -111.089 where: short stacking energy: -90.658 Base-Backbone interact. energy: 1.489 local terms energy: -193.597661 where: bonds (distance) C4'-P energy: -63.018 bonds (distance) P-C4' energy: -65.518 flat angles C4'-P-C4' energy: -55.352 flat angles P-C4'-P energy: -29.529 tors. eta vs tors. theta energy: 19.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -721.419665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.419665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.419665 (E_RNA) where: Base-Base interactions energy: -341.335 where: short stacking energy: -297.374 Base-Backbone interact. energy: -0.468 local terms energy: -379.617360 where: bonds (distance) C4'-P energy: -80.218 bonds (distance) P-C4' energy: -78.230 flat angles C4'-P-C4' energy: -77.610 flat angles P-C4'-P energy: -63.811 tors. eta vs tors. theta energy: -79.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -736.102698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.102698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.102698 (E_RNA) where: Base-Base interactions energy: -406.773 where: short stacking energy: -247.333 Base-Backbone interact. energy: 1.703 local terms energy: -331.033223 where: bonds (distance) C4'-P energy: -75.601 bonds (distance) P-C4' energy: -76.132 flat angles C4'-P-C4' energy: -82.695 flat angles P-C4'-P energy: -56.346 tors. eta vs tors. theta energy: -40.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -687.950065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.950065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.950065 (E_RNA) where: Base-Base interactions energy: -333.553 where: short stacking energy: -251.889 Base-Backbone interact. energy: -1.791 local terms energy: -352.606620 where: bonds (distance) C4'-P energy: -70.263 bonds (distance) P-C4' energy: -81.492 flat angles C4'-P-C4' energy: -88.024 flat angles P-C4'-P energy: -45.462 tors. eta vs tors. theta energy: -67.365 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: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -736.555556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.555556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.555556 (E_RNA) where: Base-Base interactions energy: -376.319 where: short stacking energy: -262.505 Base-Backbone interact. energy: -1.658 local terms energy: -358.578773 where: bonds (distance) C4'-P energy: -83.508 bonds (distance) P-C4' energy: -84.409 flat angles C4'-P-C4' energy: -71.276 flat angles P-C4'-P energy: -50.585 tors. eta vs tors. theta energy: -68.802 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: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -596.367470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.367470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.367470 (E_RNA) where: Base-Base interactions energy: -317.529 where: short stacking energy: -196.850 Base-Backbone interact. energy: -1.174 local terms energy: -277.664203 where: bonds (distance) C4'-P energy: -74.265 bonds (distance) P-C4' energy: -71.512 flat angles C4'-P-C4' energy: -59.700 flat angles P-C4'-P energy: -43.140 tors. eta vs tors. theta energy: -29.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -513.715499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.715499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.715499 (E_RNA) where: Base-Base interactions energy: -246.657 where: short stacking energy: -190.194 Base-Backbone interact. energy: 0.465 local terms energy: -267.523042 where: bonds (distance) C4'-P energy: -58.405 bonds (distance) P-C4' energy: -71.554 flat angles C4'-P-C4' energy: -61.726 flat angles P-C4'-P energy: -38.468 tors. eta vs tors. theta energy: -37.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -434.494508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.494508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.494508 (E_RNA) where: Base-Base interactions energy: -184.227 where: short stacking energy: -135.004 Base-Backbone interact. energy: 0.122 local terms energy: -250.389150 where: bonds (distance) C4'-P energy: -67.351 bonds (distance) P-C4' energy: -59.591 flat angles C4'-P-C4' energy: -72.831 flat angles P-C4'-P energy: -49.000 tors. eta vs tors. theta energy: -1.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -426.870269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.870269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.870269 (E_RNA) where: Base-Base interactions energy: -185.519 where: short stacking energy: -90.082 Base-Backbone interact. energy: 0.181 local terms energy: -241.532330 where: bonds (distance) C4'-P energy: -74.732 bonds (distance) P-C4' energy: -69.809 flat angles C4'-P-C4' energy: -67.880 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: 1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -368.271139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.271139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.271139 (E_RNA) where: Base-Base interactions energy: -122.953 where: short stacking energy: -110.714 Base-Backbone interact. energy: 1.062 local terms energy: -246.380614 where: bonds (distance) C4'-P energy: -71.816 bonds (distance) P-C4' energy: -79.822 flat angles C4'-P-C4' energy: -69.765 flat angles P-C4'-P energy: -23.255 tors. eta vs tors. theta energy: -1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -352.459567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.459567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.459567 (E_RNA) where: Base-Base interactions energy: -149.596 where: short stacking energy: -109.698 Base-Backbone interact. energy: -0.660 local terms energy: -202.203521 where: bonds (distance) C4'-P energy: -58.422 bonds (distance) P-C4' energy: -69.796 flat angles C4'-P-C4' energy: -47.820 flat angles P-C4'-P energy: -32.529 tors. eta vs tors. theta energy: 6.363 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: 1, replica: 3 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -822.711159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.711159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.711159 (E_RNA) where: Base-Base interactions energy: -464.004 where: short stacking energy: -273.997 Base-Backbone interact. energy: -0.215 local terms energy: -358.492206 where: bonds (distance) C4'-P energy: -81.132 bonds (distance) P-C4' energy: -84.908 flat angles C4'-P-C4' energy: -75.430 flat angles P-C4'-P energy: -47.802 tors. eta vs tors. theta energy: -69.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -685.777278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.777278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.777278 (E_RNA) where: Base-Base interactions energy: -319.235 where: short stacking energy: -270.918 Base-Backbone interact. energy: -0.823 local terms energy: -365.718433 where: bonds (distance) C4'-P energy: -70.411 bonds (distance) P-C4' energy: -87.466 flat angles C4'-P-C4' energy: -86.531 flat angles P-C4'-P energy: -47.027 tors. eta vs tors. theta energy: -74.284 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: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -793.458651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.458651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.458651 (E_RNA) where: Base-Base interactions energy: -459.891 where: short stacking energy: -246.649 Base-Backbone interact. energy: -3.664 local terms energy: -329.903711 where: bonds (distance) C4'-P energy: -74.835 bonds (distance) P-C4' energy: -80.898 flat angles C4'-P-C4' energy: -74.129 flat angles P-C4'-P energy: -48.331 tors. eta vs tors. theta energy: -51.710 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: 2 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -632.921006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.921006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.921006 (E_RNA) where: Base-Base interactions energy: -310.712 where: short stacking energy: -195.550 Base-Backbone interact. energy: -1.528 local terms energy: -320.680500 where: bonds (distance) C4'-P energy: -72.084 bonds (distance) P-C4' energy: -74.875 flat angles C4'-P-C4' energy: -79.761 flat angles P-C4'-P energy: -52.521 tors. eta vs tors. theta energy: -41.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -614.113378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.113378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.113378 (E_RNA) where: Base-Base interactions energy: -345.190 where: short stacking energy: -203.507 Base-Backbone interact. energy: -0.752 local terms energy: -268.172087 where: bonds (distance) C4'-P energy: -74.671 bonds (distance) P-C4' energy: -63.553 flat angles C4'-P-C4' energy: -63.956 flat angles P-C4'-P energy: -40.581 tors. eta vs tors. theta energy: -25.411 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: 6 Temperature: 1.150000 Total energy: -580.309874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.309874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.309874 (E_RNA) where: Base-Base interactions energy: -297.117 where: short stacking energy: -186.346 Base-Backbone interact. energy: -0.890 local terms energy: -282.302168 where: bonds (distance) C4'-P energy: -76.351 bonds (distance) P-C4' energy: -57.689 flat angles C4'-P-C4' energy: -62.985 flat angles P-C4'-P energy: -44.330 tors. eta vs tors. theta energy: -40.947 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: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -544.021189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.021189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.021189 (E_RNA) where: Base-Base interactions energy: -265.891 where: short stacking energy: -153.951 Base-Backbone interact. energy: -2.155 local terms energy: -275.975278 where: bonds (distance) C4'-P energy: -69.204 bonds (distance) P-C4' energy: -66.806 flat angles C4'-P-C4' energy: -70.996 flat angles P-C4'-P energy: -47.243 tors. eta vs tors. theta energy: -21.726 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: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -383.029921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.029921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.029921 (E_RNA) where: Base-Base interactions energy: -158.715 where: short stacking energy: -121.453 Base-Backbone interact. energy: 0.051 local terms energy: -224.365152 where: bonds (distance) C4'-P energy: -52.274 bonds (distance) P-C4' energy: -73.454 flat angles C4'-P-C4' energy: -69.132 flat angles P-C4'-P energy: -33.321 tors. eta vs tors. theta energy: 3.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -359.550423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.550423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.550423 (E_RNA) where: Base-Base interactions energy: -123.611 where: short stacking energy: -119.717 Base-Backbone interact. energy: -0.564 local terms energy: -235.375923 where: bonds (distance) C4'-P energy: -75.012 bonds (distance) P-C4' energy: -63.767 flat angles C4'-P-C4' energy: -61.761 flat angles P-C4'-P energy: -27.443 tors. eta vs tors. theta energy: -7.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -324.400925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.400925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.400925 (E_RNA) where: Base-Base interactions energy: -111.513 where: short stacking energy: -91.345 Base-Backbone interact. energy: -0.852 local terms energy: -212.035842 where: bonds (distance) C4'-P energy: -74.498 bonds (distance) P-C4' energy: -51.807 flat angles C4'-P-C4' energy: -51.413 flat angles P-C4'-P energy: -37.063 tors. eta vs tors. theta energy: 2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -863.656195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.656195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.656195 (E_RNA) where: Base-Base interactions energy: -487.275 where: short stacking energy: -310.101 Base-Backbone interact. energy: -0.898 local terms energy: -375.483599 where: bonds (distance) C4'-P energy: -86.507 bonds (distance) P-C4' energy: -75.540 flat angles C4'-P-C4' energy: -76.194 flat angles P-C4'-P energy: -55.006 tors. eta vs tors. theta energy: -82.236 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: 4 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -898.723916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.723916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.723916 (E_RNA) where: Base-Base interactions energy: -526.534 where: short stacking energy: -280.897 Base-Backbone interact. energy: 0.732 local terms energy: -372.921087 where: bonds (distance) C4'-P energy: -79.689 bonds (distance) P-C4' energy: -77.285 flat angles C4'-P-C4' energy: -81.649 flat angles P-C4'-P energy: -57.458 tors. eta vs tors. theta energy: -76.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -585.849170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.849170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.849170 (E_RNA) where: Base-Base interactions energy: -266.205 where: short stacking energy: -191.197 Base-Backbone interact. energy: 0.915 local terms energy: -320.559554 where: bonds (distance) C4'-P energy: -77.425 bonds (distance) P-C4' energy: -77.478 flat angles C4'-P-C4' energy: -77.697 flat angles P-C4'-P energy: -51.555 tors. eta vs tors. theta energy: -36.404 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: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -665.994445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.994445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.994445 (E_RNA) where: Base-Base interactions energy: -358.095 where: short stacking energy: -217.813 Base-Backbone interact. energy: -0.477 local terms energy: -307.422429 where: bonds (distance) C4'-P energy: -63.795 bonds (distance) P-C4' energy: -87.720 flat angles C4'-P-C4' energy: -64.883 flat angles P-C4'-P energy: -47.064 tors. eta vs tors. theta energy: -43.961 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: 2 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -559.912776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.912776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.912776 (E_RNA) where: Base-Base interactions energy: -267.496 where: short stacking energy: -182.461 Base-Backbone interact. energy: 3.786 local terms energy: -296.201961 where: bonds (distance) C4'-P energy: -63.380 bonds (distance) P-C4' energy: -81.412 flat angles C4'-P-C4' energy: -71.690 flat angles P-C4'-P energy: -48.918 tors. eta vs tors. theta energy: -30.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -590.366102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.366102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.366102 (E_RNA) where: Base-Base interactions energy: -298.589 where: short stacking energy: -174.247 Base-Backbone interact. energy: -3.048 local terms energy: -288.729559 where: bonds (distance) C4'-P energy: -74.558 bonds (distance) P-C4' energy: -76.837 flat angles C4'-P-C4' energy: -76.495 flat angles P-C4'-P energy: -42.799 tors. eta vs tors. theta energy: -18.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -547.389682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.389682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.389682 (E_RNA) where: Base-Base interactions energy: -262.284 where: short stacking energy: -142.170 Base-Backbone interact. energy: 6.345 local terms energy: -291.450317 where: bonds (distance) C4'-P energy: -67.829 bonds (distance) P-C4' energy: -83.405 flat angles C4'-P-C4' energy: -80.119 flat angles P-C4'-P energy: -44.493 tors. eta vs tors. theta energy: -15.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -412.663724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.663724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.663724 (E_RNA) where: Base-Base interactions energy: -181.565 where: short stacking energy: -129.136 Base-Backbone interact. energy: 0.091 local terms energy: -231.189555 where: bonds (distance) C4'-P energy: -71.224 bonds (distance) P-C4' energy: -62.507 flat angles C4'-P-C4' energy: -55.034 flat angles P-C4'-P energy: -39.298 tors. eta vs tors. theta energy: -3.126 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: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -339.493564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.493564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.493564 (E_RNA) where: Base-Base interactions energy: -164.864 where: short stacking energy: -122.395 Base-Backbone interact. energy: -1.848 local terms energy: -172.781834 where: bonds (distance) C4'-P energy: -62.107 bonds (distance) P-C4' energy: -70.253 flat angles C4'-P-C4' energy: -41.041 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: 8.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -343.958693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.958693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.958693 (E_RNA) where: Base-Base interactions energy: -154.587 where: short stacking energy: -93.248 Base-Backbone interact. energy: 1.508 local terms energy: -190.880342 where: bonds (distance) C4'-P energy: -58.420 bonds (distance) P-C4' energy: -59.991 flat angles C4'-P-C4' energy: -46.529 flat angles P-C4'-P energy: -35.893 tors. eta vs tors. theta energy: 9.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -893.041372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.041372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.041372 (E_RNA) where: Base-Base interactions energy: -525.111 where: short stacking energy: -288.852 Base-Backbone interact. energy: -1.819 local terms energy: -366.111024 where: bonds (distance) C4'-P energy: -69.743 bonds (distance) P-C4' energy: -88.838 flat angles C4'-P-C4' energy: -79.444 flat angles P-C4'-P energy: -56.445 tors. eta vs tors. theta energy: -71.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -927.007215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.007215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.007215 (E_RNA) where: Base-Base interactions energy: -554.081 where: short stacking energy: -287.088 Base-Backbone interact. energy: -1.656 local terms energy: -371.270077 where: bonds (distance) C4'-P energy: -75.071 bonds (distance) P-C4' energy: -85.696 flat angles C4'-P-C4' energy: -91.796 flat angles P-C4'-P energy: -54.642 tors. eta vs tors. theta energy: -64.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -747.623562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.623562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.623562 (E_RNA) where: Base-Base interactions energy: -398.969 where: short stacking energy: -249.955 Base-Backbone interact. energy: -1.436 local terms energy: -347.217663 where: bonds (distance) C4'-P energy: -71.792 bonds (distance) P-C4' energy: -80.816 flat angles C4'-P-C4' energy: -92.459 flat angles P-C4'-P energy: -54.786 tors. eta vs tors. theta energy: -47.365 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: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -575.673623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.673623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.673623 (E_RNA) where: Base-Base interactions energy: -296.321 where: short stacking energy: -203.794 Base-Backbone interact. energy: 0.421 local terms energy: -279.773412 where: bonds (distance) C4'-P energy: -62.784 bonds (distance) P-C4' energy: -86.640 flat angles C4'-P-C4' energy: -56.290 flat angles P-C4'-P energy: -45.239 tors. eta vs tors. theta energy: -28.820 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: 8 Temperature: 1.100000 Total energy: -577.912785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.912785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.912785 (E_RNA) where: Base-Base interactions energy: -279.108 where: short stacking energy: -211.787 Base-Backbone interact. energy: -0.367 local terms energy: -298.438458 where: bonds (distance) C4'-P energy: -54.304 bonds (distance) P-C4' energy: -76.628 flat angles C4'-P-C4' energy: -72.238 flat angles P-C4'-P energy: -53.674 tors. eta vs tors. theta energy: -41.594 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: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -609.124238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.124238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.124238 (E_RNA) where: Base-Base interactions energy: -314.702 where: short stacking energy: -195.710 Base-Backbone interact. energy: -1.189 local terms energy: -293.232915 where: bonds (distance) C4'-P energy: -71.159 bonds (distance) P-C4' energy: -73.896 flat angles C4'-P-C4' energy: -71.879 flat angles P-C4'-P energy: -42.079 tors. eta vs tors. theta energy: -34.220 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: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -619.673614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.673614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.673614 (E_RNA) where: Base-Base interactions energy: -354.102 where: short stacking energy: -183.470 Base-Backbone interact. energy: -0.994 local terms energy: -264.577770 where: bonds (distance) C4'-P energy: -67.503 bonds (distance) P-C4' energy: -76.783 flat angles C4'-P-C4' energy: -64.371 flat angles P-C4'-P energy: -40.045 tors. eta vs tors. theta energy: -15.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -401.789999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.789999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.789999 (E_RNA) where: Base-Base interactions energy: -149.066 where: short stacking energy: -136.939 Base-Backbone interact. energy: 1.379 local terms energy: -254.103420 where: bonds (distance) C4'-P energy: -78.467 bonds (distance) P-C4' energy: -75.115 flat angles C4'-P-C4' energy: -49.574 flat angles P-C4'-P energy: -36.895 tors. eta vs tors. theta energy: -14.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -364.464730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.464730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.464730 (E_RNA) where: Base-Base interactions energy: -154.830 where: short stacking energy: -115.093 Base-Backbone interact. energy: 0.759 local terms energy: -210.394257 where: bonds (distance) C4'-P energy: -73.674 bonds (distance) P-C4' energy: -73.585 flat angles C4'-P-C4' energy: -38.306 flat angles P-C4'-P energy: -30.501 tors. eta vs tors. theta energy: 5.671 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: 8 Temperature: 1.350000 Total energy: -328.009680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.009680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.009680 (E_RNA) where: Base-Base interactions energy: -158.561 where: short stacking energy: -115.210 Base-Backbone interact. energy: -2.020 local terms energy: -167.428853 where: bonds (distance) C4'-P energy: -65.218 bonds (distance) P-C4' energy: -49.470 flat angles C4'-P-C4' energy: -52.085 flat angles P-C4'-P energy: -8.844 tors. eta vs tors. theta energy: 8.189 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: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -895.207152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.207152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.207152 (E_RNA) where: Base-Base interactions energy: -539.327 where: short stacking energy: -279.653 Base-Backbone interact. energy: -3.472 local terms energy: -352.408249 where: bonds (distance) C4'-P energy: -72.462 bonds (distance) P-C4' energy: -92.167 flat angles C4'-P-C4' energy: -86.384 flat angles P-C4'-P energy: -46.759 tors. eta vs tors. theta energy: -54.636 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: 4 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -979.477411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.477411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.477411 (E_RNA) where: Base-Base interactions energy: -605.619 where: short stacking energy: -302.080 Base-Backbone interact. energy: -2.933 local terms energy: -370.925263 where: bonds (distance) C4'-P energy: -84.089 bonds (distance) P-C4' energy: -82.051 flat angles C4'-P-C4' energy: -76.694 flat angles P-C4'-P energy: -57.035 tors. eta vs tors. theta energy: -71.056 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: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -801.637996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.637996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.637996 (E_RNA) where: Base-Base interactions energy: -447.320 where: short stacking energy: -261.395 Base-Backbone interact. energy: -0.295 local terms energy: -354.022786 where: bonds (distance) C4'-P energy: -84.092 bonds (distance) P-C4' energy: -83.465 flat angles C4'-P-C4' energy: -73.580 flat angles P-C4'-P energy: -59.032 tors. eta vs tors. theta energy: -53.854 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: 4, replica: 1 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -643.344693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.344693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.344693 (E_RNA) where: Base-Base interactions energy: -344.872 where: short stacking energy: -235.599 Base-Backbone interact. energy: -0.328 local terms energy: -298.145088 where: bonds (distance) C4'-P energy: -75.758 bonds (distance) P-C4' energy: -73.267 flat angles C4'-P-C4' energy: -66.642 flat angles P-C4'-P energy: -41.727 tors. eta vs tors. theta energy: -40.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -598.361922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.361922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.361922 (E_RNA) where: Base-Base interactions energy: -298.691 where: short stacking energy: -219.896 Base-Backbone interact. energy: -1.366 local terms energy: -298.305389 where: bonds (distance) C4'-P energy: -71.045 bonds (distance) P-C4' energy: -72.542 flat angles C4'-P-C4' energy: -68.563 flat angles P-C4'-P energy: -48.367 tors. eta vs tors. theta energy: -37.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -682.432680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.432680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.432680 (E_RNA) where: Base-Base interactions energy: -372.272 where: short stacking energy: -207.796 Base-Backbone interact. energy: -1.832 local terms energy: -308.328794 where: bonds (distance) C4'-P energy: -74.856 bonds (distance) P-C4' energy: -81.324 flat angles C4'-P-C4' energy: -72.319 flat angles P-C4'-P energy: -40.390 tors. eta vs tors. theta energy: -39.439 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: 9 Temperature: 1.200000 Total energy: -584.123617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.123617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.123617 (E_RNA) where: Base-Base interactions energy: -309.004 where: short stacking energy: -170.084 Base-Backbone interact. energy: 0.611 local terms energy: -275.731194 where: bonds (distance) C4'-P energy: -62.357 bonds (distance) P-C4' energy: -79.536 flat angles C4'-P-C4' energy: -61.803 flat angles P-C4'-P energy: -38.436 tors. eta vs tors. theta energy: -33.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -370.747647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.747647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.747647 (E_RNA) where: Base-Base interactions energy: -117.544 where: short stacking energy: -103.067 Base-Backbone interact. energy: -1.055 local terms energy: -252.149250 where: bonds (distance) C4'-P energy: -59.892 bonds (distance) P-C4' energy: -81.947 flat angles C4'-P-C4' energy: -66.051 flat angles P-C4'-P energy: -40.980 tors. eta vs tors. theta energy: -3.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -334.228066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.228066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.228066 (E_RNA) where: Base-Base interactions energy: -102.502 where: short stacking energy: -91.233 Base-Backbone interact. energy: 0.121 local terms energy: -231.846984 where: bonds (distance) C4'-P energy: -63.434 bonds (distance) P-C4' energy: -76.065 flat angles C4'-P-C4' energy: -55.870 flat angles P-C4'-P energy: -50.087 tors. eta vs tors. theta energy: 13.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -370.574655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.574655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.574655 (E_RNA) where: Base-Base interactions energy: -145.493 where: short stacking energy: -106.544 Base-Backbone interact. energy: -0.982 local terms energy: -224.099398 where: bonds (distance) C4'-P energy: -68.963 bonds (distance) P-C4' energy: -62.488 flat angles C4'-P-C4' energy: -63.883 flat angles P-C4'-P energy: -41.979 tors. eta vs tors. theta energy: 13.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1059.241698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.241698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.241698 (E_RNA) where: Base-Base interactions energy: -676.978 where: short stacking energy: -326.842 Base-Backbone interact. energy: -3.619 local terms energy: -378.644148 where: bonds (distance) C4'-P energy: -70.506 bonds (distance) P-C4' energy: -82.057 flat angles C4'-P-C4' energy: -89.440 flat angles P-C4'-P energy: -50.057 tors. eta vs tors. theta energy: -86.584 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: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -862.268286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.268286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.268286 (E_RNA) where: Base-Base interactions energy: -496.462 where: short stacking energy: -276.895 Base-Backbone interact. energy: -1.801 local terms energy: -364.004996 where: bonds (distance) C4'-P energy: -74.654 bonds (distance) P-C4' energy: -70.874 flat angles C4'-P-C4' energy: -97.107 flat angles P-C4'-P energy: -50.900 tors. eta vs tors. theta energy: -70.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -743.728587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.728587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.728587 (E_RNA) where: Base-Base interactions energy: -394.818 where: short stacking energy: -236.305 Base-Backbone interact. energy: -1.088 local terms energy: -347.822589 where: bonds (distance) C4'-P energy: -69.176 bonds (distance) P-C4' energy: -82.592 flat angles C4'-P-C4' energy: -87.067 flat angles P-C4'-P energy: -60.885 tors. eta vs tors. theta energy: -48.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -659.989098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.989098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.989098 (E_RNA) where: Base-Base interactions energy: -367.527 where: short stacking energy: -239.678 Base-Backbone interact. energy: -0.021 local terms energy: -292.440938 where: bonds (distance) C4'-P energy: -65.499 bonds (distance) P-C4' energy: -70.306 flat angles C4'-P-C4' energy: -69.603 flat angles P-C4'-P energy: -43.196 tors. eta vs tors. theta energy: -43.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -715.109258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.109258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.109258 (E_RNA) where: Base-Base interactions energy: -426.882 where: short stacking energy: -250.154 Base-Backbone interact. energy: 0.207 local terms energy: -288.433737 where: bonds (distance) C4'-P energy: -61.192 bonds (distance) P-C4' energy: -67.835 flat angles C4'-P-C4' energy: -63.838 flat angles P-C4'-P energy: -46.414 tors. eta vs tors. theta energy: -49.154 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: 2 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -578.754911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.754911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.754911 (E_RNA) where: Base-Base interactions energy: -291.392 where: short stacking energy: -198.978 Base-Backbone interact. energy: -0.208 local terms energy: -287.154517 where: bonds (distance) C4'-P energy: -62.373 bonds (distance) P-C4' energy: -79.305 flat angles C4'-P-C4' energy: -69.052 flat angles P-C4'-P energy: -46.647 tors. eta vs tors. theta energy: -29.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -557.226121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.226121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.226121 (E_RNA) where: Base-Base interactions energy: -285.463 where: short stacking energy: -180.676 Base-Backbone interact. energy: 1.434 local terms energy: -273.197009 where: bonds (distance) C4'-P energy: -74.971 bonds (distance) P-C4' energy: -73.183 flat angles C4'-P-C4' energy: -70.612 flat angles P-C4'-P energy: -37.893 tors. eta vs tors. theta energy: -16.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -407.129357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.129357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.129357 (E_RNA) where: Base-Base interactions energy: -177.707 where: short stacking energy: -143.905 Base-Backbone interact. energy: -1.057 local terms energy: -228.364971 where: bonds (distance) C4'-P energy: -58.355 bonds (distance) P-C4' energy: -75.266 flat angles C4'-P-C4' energy: -54.827 flat angles P-C4'-P energy: -36.291 tors. eta vs tors. theta energy: -3.626 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: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -372.136869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.136869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.136869 (E_RNA) where: Base-Base interactions energy: -142.248 where: short stacking energy: -116.242 Base-Backbone interact. energy: -1.805 local terms energy: -228.083909 where: bonds (distance) C4'-P energy: -63.423 bonds (distance) P-C4' energy: -60.517 flat angles C4'-P-C4' energy: -56.222 flat angles P-C4'-P energy: -40.964 tors. eta vs tors. theta energy: -6.958 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: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -323.083217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.083217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.083217 (E_RNA) where: Base-Base interactions energy: -118.172 where: short stacking energy: -87.765 Base-Backbone interact. energy: 0.362 local terms energy: -205.273242 where: bonds (distance) C4'-P energy: -87.789 bonds (distance) P-C4' energy: -48.881 flat angles C4'-P-C4' energy: -40.073 flat angles P-C4'-P energy: -29.507 tors. eta vs tors. theta energy: 0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1096.842879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.842879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.842879 (E_RNA) where: Base-Base interactions energy: -701.582 where: short stacking energy: -351.859 Base-Backbone interact. energy: -1.700 local terms energy: -393.561338 where: bonds (distance) C4'-P energy: -79.604 bonds (distance) P-C4' energy: -78.751 flat angles C4'-P-C4' energy: -81.447 flat angles P-C4'-P energy: -63.401 tors. eta vs tors. theta energy: -90.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -874.577559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.577559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.577559 (E_RNA) where: Base-Base interactions energy: -514.466 where: short stacking energy: -274.487 Base-Backbone interact. energy: 0.203 local terms energy: -360.314999 where: bonds (distance) C4'-P energy: -82.679 bonds (distance) P-C4' energy: -88.565 flat angles C4'-P-C4' energy: -75.313 flat angles P-C4'-P energy: -51.380 tors. eta vs tors. theta energy: -62.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -826.938403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.938403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.938403 (E_RNA) where: Base-Base interactions energy: -481.264 where: short stacking energy: -275.005 Base-Backbone interact. energy: -0.819 local terms energy: -344.855448 where: bonds (distance) C4'-P energy: -82.243 bonds (distance) P-C4' energy: -84.594 flat angles C4'-P-C4' energy: -73.270 flat angles P-C4'-P energy: -37.144 tors. eta vs tors. theta energy: -67.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -722.568079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.568079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.568079 (E_RNA) where: Base-Base interactions energy: -403.515 where: short stacking energy: -224.456 Base-Backbone interact. energy: -1.754 local terms energy: -317.299522 where: bonds (distance) C4'-P energy: -72.769 bonds (distance) P-C4' energy: -78.700 flat angles C4'-P-C4' energy: -61.581 flat angles P-C4'-P energy: -54.018 tors. eta vs tors. theta energy: -50.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -679.670173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.670173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.670173 (E_RNA) where: Base-Base interactions energy: -393.402 where: short stacking energy: -212.151 Base-Backbone interact. energy: -2.022 local terms energy: -284.246250 where: bonds (distance) C4'-P energy: -63.780 bonds (distance) P-C4' energy: -68.705 flat angles C4'-P-C4' energy: -65.419 flat angles P-C4'-P energy: -55.757 tors. eta vs tors. theta energy: -30.586 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: 2 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -572.299765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.299765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.299765 (E_RNA) where: Base-Base interactions energy: -302.887 where: short stacking energy: -163.043 Base-Backbone interact. energy: -2.829 local terms energy: -266.584045 where: bonds (distance) C4'-P energy: -63.642 bonds (distance) P-C4' energy: -73.003 flat angles C4'-P-C4' energy: -63.287 flat angles P-C4'-P energy: -43.759 tors. eta vs tors. theta energy: -22.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -673.533850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.533850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.533850 (E_RNA) where: Base-Base interactions energy: -394.812 where: short stacking energy: -189.238 Base-Backbone interact. energy: -2.327 local terms energy: -276.394568 where: bonds (distance) C4'-P energy: -67.119 bonds (distance) P-C4' energy: -78.251 flat angles C4'-P-C4' energy: -69.028 flat angles P-C4'-P energy: -40.654 tors. eta vs tors. theta energy: -21.341 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: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -392.270996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.270996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.270996 (E_RNA) where: Base-Base interactions energy: -161.969 where: short stacking energy: -130.634 Base-Backbone interact. energy: 1.137 local terms energy: -231.438378 where: bonds (distance) C4'-P energy: -65.738 bonds (distance) P-C4' energy: -72.657 flat angles C4'-P-C4' energy: -62.368 flat angles P-C4'-P energy: -28.355 tors. eta vs tors. theta energy: -2.320 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: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -348.486097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.486097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.486097 (E_RNA) where: Base-Base interactions energy: -123.891 where: short stacking energy: -96.442 Base-Backbone interact. energy: 0.284 local terms energy: -224.879340 where: bonds (distance) C4'-P energy: -62.584 bonds (distance) P-C4' energy: -72.542 flat angles C4'-P-C4' energy: -61.453 flat angles P-C4'-P energy: -42.010 tors. eta vs tors. theta energy: 13.711 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: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -312.584061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.584061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.584061 (E_RNA) where: Base-Base interactions energy: -98.287 where: short stacking energy: -89.551 Base-Backbone interact. energy: -1.752 local terms energy: -212.545177 where: bonds (distance) C4'-P energy: -56.183 bonds (distance) P-C4' energy: -71.224 flat angles C4'-P-C4' energy: -58.767 flat angles P-C4'-P energy: -34.694 tors. eta vs tors. theta energy: 8.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1036.820812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.820812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.820812 (E_RNA) where: Base-Base interactions energy: -642.632 where: short stacking energy: -338.552 Base-Backbone interact. energy: -0.182 local terms energy: -394.006603 where: bonds (distance) C4'-P energy: -88.015 bonds (distance) P-C4' energy: -92.466 flat angles C4'-P-C4' energy: -83.232 flat angles P-C4'-P energy: -50.549 tors. eta vs tors. theta energy: -79.744 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: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -866.257642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.257642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.257642 (E_RNA) where: Base-Base interactions energy: -514.419 where: short stacking energy: -271.881 Base-Backbone interact. energy: -3.099 local terms energy: -348.739221 where: bonds (distance) C4'-P energy: -75.106 bonds (distance) P-C4' energy: -85.627 flat angles C4'-P-C4' energy: -75.815 flat angles P-C4'-P energy: -58.265 tors. eta vs tors. theta energy: -53.926 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: 3, replica: 5 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -826.975164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.975164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.975164 (E_RNA) where: Base-Base interactions energy: -498.607 where: short stacking energy: -282.663 Base-Backbone interact. energy: -2.050 local terms energy: -326.318465 where: bonds (distance) C4'-P energy: -75.986 bonds (distance) P-C4' energy: -69.048 flat angles C4'-P-C4' energy: -74.493 flat angles P-C4'-P energy: -47.269 tors. eta vs tors. theta energy: -59.522 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: 12 Temperature: 1.050000 Total energy: -707.081265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.081265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.081265 (E_RNA) where: Base-Base interactions energy: -381.853 where: short stacking energy: -224.122 Base-Backbone interact. energy: 0.588 local terms energy: -325.816004 where: bonds (distance) C4'-P energy: -75.657 bonds (distance) P-C4' energy: -82.271 flat angles C4'-P-C4' energy: -73.979 flat angles P-C4'-P energy: -46.812 tors. eta vs tors. theta energy: -47.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -673.885047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.885047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.885047 (E_RNA) where: Base-Base interactions energy: -376.672 where: short stacking energy: -222.282 Base-Backbone interact. energy: 2.923 local terms energy: -300.135612 where: bonds (distance) C4'-P energy: -77.269 bonds (distance) P-C4' energy: -76.075 flat angles C4'-P-C4' energy: -66.456 flat angles P-C4'-P energy: -38.575 tors. eta vs tors. theta energy: -41.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -587.823774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.823774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.823774 (E_RNA) where: Base-Base interactions energy: -294.669 where: short stacking energy: -159.324 Base-Backbone interact. energy: 0.889 local terms energy: -294.044023 where: bonds (distance) C4'-P energy: -68.873 bonds (distance) P-C4' energy: -83.778 flat angles C4'-P-C4' energy: -81.681 flat angles P-C4'-P energy: -36.186 tors. eta vs tors. theta energy: -23.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -781.956595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.956595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.956595 (E_RNA) where: Base-Base interactions energy: -490.913 where: short stacking energy: -244.978 Base-Backbone interact. energy: -1.935 local terms energy: -289.108726 where: bonds (distance) C4'-P energy: -74.314 bonds (distance) P-C4' energy: -60.634 flat angles C4'-P-C4' energy: -63.952 flat angles P-C4'-P energy: -43.156 tors. eta vs tors. theta energy: -47.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -391.827872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.827872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.827872 (E_RNA) where: Base-Base interactions energy: -137.027 where: short stacking energy: -125.945 Base-Backbone interact. energy: 0.778 local terms energy: -255.579133 where: bonds (distance) C4'-P energy: -76.959 bonds (distance) P-C4' energy: -60.402 flat angles C4'-P-C4' energy: -62.726 flat angles P-C4'-P energy: -48.047 tors. eta vs tors. theta energy: -7.444 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: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -359.562818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.562818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.562818 (E_RNA) where: Base-Base interactions energy: -122.884 where: short stacking energy: -117.297 Base-Backbone interact. energy: -0.913 local terms energy: -235.766380 where: bonds (distance) C4'-P energy: -72.446 bonds (distance) P-C4' energy: -67.877 flat angles C4'-P-C4' energy: -55.668 flat angles P-C4'-P energy: -30.110 tors. eta vs tors. theta energy: -9.665 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: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -335.256187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.256187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.256187 (E_RNA) where: Base-Base interactions energy: -110.358 where: short stacking energy: -84.052 Base-Backbone interact. energy: -1.695 local terms energy: -223.202742 where: bonds (distance) C4'-P energy: -66.117 bonds (distance) P-C4' energy: -73.888 flat angles C4'-P-C4' energy: -68.438 flat angles P-C4'-P energy: -35.809 tors. eta vs tors. theta energy: 21.049 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: 4 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1022.944769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.944769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.944769 (E_RNA) where: Base-Base interactions energy: -623.112 where: short stacking energy: -322.550 Base-Backbone interact. energy: -1.431 local terms energy: -398.402181 where: bonds (distance) C4'-P energy: -81.630 bonds (distance) P-C4' energy: -91.870 flat angles C4'-P-C4' energy: -87.366 flat angles P-C4'-P energy: -58.658 tors. eta vs tors. theta energy: -78.878 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: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -884.514105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.514105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.514105 (E_RNA) where: Base-Base interactions energy: -536.935 where: short stacking energy: -304.460 Base-Backbone interact. energy: -0.064 local terms energy: -347.515095 where: bonds (distance) C4'-P energy: -79.663 bonds (distance) P-C4' energy: -85.021 flat angles C4'-P-C4' energy: -75.365 flat angles P-C4'-P energy: -46.308 tors. eta vs tors. theta energy: -61.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -812.565556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.565556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.565556 (E_RNA) where: Base-Base interactions energy: -499.271 where: short stacking energy: -238.590 Base-Backbone interact. energy: -0.784 local terms energy: -312.510522 where: bonds (distance) C4'-P energy: -74.398 bonds (distance) P-C4' energy: -68.920 flat angles C4'-P-C4' energy: -72.009 flat angles P-C4'-P energy: -47.523 tors. eta vs tors. theta energy: -49.661 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: 1 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -714.002845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.002845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.002845 (E_RNA) where: Base-Base interactions energy: -376.221 where: short stacking energy: -236.159 Base-Backbone interact. energy: 0.333 local terms energy: -338.114725 where: bonds (distance) C4'-P energy: -87.190 bonds (distance) P-C4' energy: -77.367 flat angles C4'-P-C4' energy: -74.027 flat angles P-C4'-P energy: -50.177 tors. eta vs tors. theta energy: -49.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -696.252107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.252107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.252107 (E_RNA) where: Base-Base interactions energy: -379.789 where: short stacking energy: -223.631 Base-Backbone interact. energy: -1.165 local terms energy: -315.297850 where: bonds (distance) C4'-P energy: -67.749 bonds (distance) P-C4' energy: -71.580 flat angles C4'-P-C4' energy: -78.587 flat angles P-C4'-P energy: -38.131 tors. eta vs tors. theta energy: -59.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -791.555344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.555344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.555344 (E_RNA) where: Base-Base interactions energy: -481.935 where: short stacking energy: -223.739 Base-Backbone interact. energy: -0.641 local terms energy: -308.979251 where: bonds (distance) C4'-P energy: -64.636 bonds (distance) P-C4' energy: -83.358 flat angles C4'-P-C4' energy: -63.839 flat angles P-C4'-P energy: -36.186 tors. eta vs tors. theta energy: -60.961 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: 7, replica: 2 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -552.139774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.139774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.139774 (E_RNA) where: Base-Base interactions energy: -303.097 where: short stacking energy: -168.942 Base-Backbone interact. energy: 0.598 local terms energy: -249.640767 where: bonds (distance) C4'-P energy: -63.804 bonds (distance) P-C4' energy: -72.434 flat angles C4'-P-C4' energy: -57.511 flat angles P-C4'-P energy: -33.665 tors. eta vs tors. theta energy: -22.227 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: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -375.818328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.818328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.818328 (E_RNA) where: Base-Base interactions energy: -151.156 where: short stacking energy: -135.377 Base-Backbone interact. energy: 2.054 local terms energy: -226.716897 where: bonds (distance) C4'-P energy: -51.312 bonds (distance) P-C4' energy: -76.714 flat angles C4'-P-C4' energy: -59.841 flat angles P-C4'-P energy: -40.406 tors. eta vs tors. theta energy: 1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -363.321503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.321503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.321503 (E_RNA) where: Base-Base interactions energy: -120.257 where: short stacking energy: -86.622 Base-Backbone interact. energy: -0.472 local terms energy: -242.593134 where: bonds (distance) C4'-P energy: -70.164 bonds (distance) P-C4' energy: -75.116 flat angles C4'-P-C4' energy: -67.200 flat angles P-C4'-P energy: -38.518 tors. eta vs tors. theta energy: 8.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -331.145989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.145989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.145989 (E_RNA) where: Base-Base interactions energy: -117.198 where: short stacking energy: -83.255 Base-Backbone interact. energy: -0.115 local terms energy: -213.832319 where: bonds (distance) C4'-P energy: -67.072 bonds (distance) P-C4' energy: -65.516 flat angles C4'-P-C4' energy: -57.637 flat angles P-C4'-P energy: -38.670 tors. eta vs tors. theta energy: 15.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1022.479055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.479055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.479055 (E_RNA) where: Base-Base interactions energy: -646.556 where: short stacking energy: -320.939 Base-Backbone interact. energy: -0.379 local terms energy: -375.544600 where: bonds (distance) C4'-P energy: -75.779 bonds (distance) P-C4' energy: -79.436 flat angles C4'-P-C4' energy: -80.393 flat angles P-C4'-P energy: -64.089 tors. eta vs tors. theta energy: -75.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -905.947613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.947613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.947613 (E_RNA) where: Base-Base interactions energy: -551.680 where: short stacking energy: -277.201 Base-Backbone interact. energy: -1.166 local terms energy: -353.101881 where: bonds (distance) C4'-P energy: -70.579 bonds (distance) P-C4' energy: -80.727 flat angles C4'-P-C4' energy: -80.922 flat angles P-C4'-P energy: -59.680 tors. eta vs tors. theta energy: -61.194 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: 5 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -801.951095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.951095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.951095 (E_RNA) where: Base-Base interactions energy: -467.765 where: short stacking energy: -262.864 Base-Backbone interact. energy: -1.277 local terms energy: -332.909541 where: bonds (distance) C4'-P energy: -72.199 bonds (distance) P-C4' energy: -79.029 flat angles C4'-P-C4' energy: -70.386 flat angles P-C4'-P energy: -50.243 tors. eta vs tors. theta energy: -61.054 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: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -754.023399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.023399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.023399 (E_RNA) where: Base-Base interactions energy: -429.013 where: short stacking energy: -255.989 Base-Backbone interact. energy: 0.398 local terms energy: -325.408695 where: bonds (distance) C4'-P energy: -72.825 bonds (distance) P-C4' energy: -61.608 flat angles C4'-P-C4' energy: -74.945 flat angles P-C4'-P energy: -53.430 tors. eta vs tors. theta energy: -62.600 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: 7 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -888.984611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.984611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.984611 (E_RNA) where: Base-Base interactions energy: -553.252 where: short stacking energy: -276.161 Base-Backbone interact. energy: -1.013 local terms energy: -334.719743 where: bonds (distance) C4'-P energy: -70.822 bonds (distance) P-C4' energy: -72.122 flat angles C4'-P-C4' energy: -79.865 flat angles P-C4'-P energy: -44.916 tors. eta vs tors. theta energy: -66.995 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: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -632.682177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.682177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.682177 (E_RNA) where: Base-Base interactions energy: -321.991 where: short stacking energy: -164.518 Base-Backbone interact. energy: -1.631 local terms energy: -309.060617 where: bonds (distance) C4'-P energy: -80.510 bonds (distance) P-C4' energy: -79.200 flat angles C4'-P-C4' energy: -72.133 flat angles P-C4'-P energy: -50.296 tors. eta vs tors. theta energy: -26.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -596.323983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.323983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.323983 (E_RNA) where: Base-Base interactions energy: -307.112 where: short stacking energy: -163.577 Base-Backbone interact. energy: -2.882 local terms energy: -286.329822 where: bonds (distance) C4'-P energy: -80.961 bonds (distance) P-C4' energy: -79.186 flat angles C4'-P-C4' energy: -69.606 flat angles P-C4'-P energy: -34.082 tors. eta vs tors. theta energy: -22.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -510.501021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.501021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.501021 (E_RNA) where: Base-Base interactions energy: -249.254 where: short stacking energy: -157.224 Base-Backbone interact. energy: -3.007 local terms energy: -258.240053 where: bonds (distance) C4'-P energy: -68.471 bonds (distance) P-C4' energy: -64.560 flat angles C4'-P-C4' energy: -63.989 flat angles P-C4'-P energy: -47.458 tors. eta vs tors. theta energy: -13.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -370.275918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.275918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.275918 (E_RNA) where: Base-Base interactions energy: -142.465 where: short stacking energy: -111.945 Base-Backbone interact. energy: -0.321 local terms energy: -227.490265 where: bonds (distance) C4'-P energy: -71.304 bonds (distance) P-C4' energy: -72.003 flat angles C4'-P-C4' energy: -64.087 flat angles P-C4'-P energy: -30.291 tors. eta vs tors. theta energy: 10.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -340.736243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.736243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.736243 (E_RNA) where: Base-Base interactions energy: -110.835 where: short stacking energy: -107.096 Base-Backbone interact. energy: -0.789 local terms energy: -229.111904 where: bonds (distance) C4'-P energy: -62.185 bonds (distance) P-C4' energy: -60.519 flat angles C4'-P-C4' energy: -64.811 flat angles P-C4'-P energy: -43.786 tors. eta vs tors. theta energy: 2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1022.774329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.774329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.774329 (E_RNA) where: Base-Base interactions energy: -643.625 where: short stacking energy: -324.712 Base-Backbone interact. energy: -1.646 local terms energy: -377.503878 where: bonds (distance) C4'-P energy: -88.527 bonds (distance) P-C4' energy: -69.811 flat angles C4'-P-C4' energy: -80.080 flat angles P-C4'-P energy: -60.782 tors. eta vs tors. theta energy: -78.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -901.157793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.157793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.157793 (E_RNA) where: Base-Base interactions energy: -536.821 where: short stacking energy: -288.906 Base-Backbone interact. energy: -4.226 local terms energy: -360.110468 where: bonds (distance) C4'-P energy: -79.266 bonds (distance) P-C4' energy: -75.836 flat angles C4'-P-C4' energy: -83.286 flat angles P-C4'-P energy: -53.187 tors. eta vs tors. theta energy: -68.535 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: 5 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -798.003397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.003397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.003397 (E_RNA) where: Base-Base interactions energy: -468.112 where: short stacking energy: -268.723 Base-Backbone interact. energy: 3.919 local terms energy: -333.811082 where: bonds (distance) C4'-P energy: -75.938 bonds (distance) P-C4' energy: -74.067 flat angles C4'-P-C4' energy: -74.584 flat angles P-C4'-P energy: -48.770 tors. eta vs tors. theta energy: -60.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1022.967470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.967470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.967470 (E_RNA) where: Base-Base interactions energy: -665.472 where: short stacking energy: -302.800 Base-Backbone interact. energy: -0.711 local terms energy: -356.784904 where: bonds (distance) C4'-P energy: -72.989 bonds (distance) P-C4' energy: -84.015 flat angles C4'-P-C4' energy: -76.456 flat angles P-C4'-P energy: -56.139 tors. eta vs tors. theta energy: -67.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -729.578554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.578554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.578554 (E_RNA) where: Base-Base interactions energy: -422.526 where: short stacking energy: -219.113 Base-Backbone interact. energy: 0.572 local terms energy: -307.624719 where: bonds (distance) C4'-P energy: -62.472 bonds (distance) P-C4' energy: -64.885 flat angles C4'-P-C4' energy: -72.314 flat angles P-C4'-P energy: -56.526 tors. eta vs tors. theta energy: -51.427 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: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -665.391384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.391384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.391384 (E_RNA) where: Base-Base interactions energy: -376.498 where: short stacking energy: -206.132 Base-Backbone interact. energy: -2.030 local terms energy: -286.863473 where: bonds (distance) C4'-P energy: -74.176 bonds (distance) P-C4' energy: -73.434 flat angles C4'-P-C4' energy: -72.085 flat angles P-C4'-P energy: -36.249 tors. eta vs tors. theta energy: -30.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -542.796027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.796027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.796027 (E_RNA) where: Base-Base interactions energy: -286.476 where: short stacking energy: -170.477 Base-Backbone interact. energy: -0.973 local terms energy: -255.347782 where: bonds (distance) C4'-P energy: -74.467 bonds (distance) P-C4' energy: -60.566 flat angles C4'-P-C4' energy: -61.663 flat angles P-C4'-P energy: -37.715 tors. eta vs tors. theta energy: -20.936 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: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -442.332790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.332790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.332790 (E_RNA) where: Base-Base interactions energy: -186.221 where: short stacking energy: -137.789 Base-Backbone interact. energy: -0.896 local terms energy: -255.215247 where: bonds (distance) C4'-P energy: -63.337 bonds (distance) P-C4' energy: -64.273 flat angles C4'-P-C4' energy: -66.395 flat angles P-C4'-P energy: -45.179 tors. eta vs tors. theta energy: -16.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -331.120292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.120292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.120292 (E_RNA) where: Base-Base interactions energy: -120.755 where: short stacking energy: -109.429 Base-Backbone interact. energy: -1.384 local terms energy: -208.980666 where: bonds (distance) C4'-P energy: -49.089 bonds (distance) P-C4' energy: -69.325 flat angles C4'-P-C4' energy: -63.692 flat angles P-C4'-P energy: -26.494 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -316.638261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.638261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.638261 (E_RNA) where: Base-Base interactions energy: -106.134 where: short stacking energy: -102.700 Base-Backbone interact. energy: 1.939 local terms energy: -212.443351 where: bonds (distance) C4'-P energy: -70.511 bonds (distance) P-C4' energy: -75.532 flat angles C4'-P-C4' energy: -50.656 flat angles P-C4'-P energy: -19.307 tors. eta vs tors. theta energy: 3.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1085.285861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.285861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.285861 (E_RNA) where: Base-Base interactions energy: -691.288 where: short stacking energy: -344.087 Base-Backbone interact. energy: -2.356 local terms energy: -391.641552 where: bonds (distance) C4'-P energy: -84.936 bonds (distance) P-C4' energy: -90.319 flat angles C4'-P-C4' energy: -87.344 flat angles P-C4'-P energy: -48.516 tors. eta vs tors. theta energy: -80.526 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: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -859.712732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.712732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.712732 (E_RNA) where: Base-Base interactions energy: -518.979 where: short stacking energy: -258.947 Base-Backbone interact. energy: -5.412 local terms energy: -335.322267 where: bonds (distance) C4'-P energy: -75.193 bonds (distance) P-C4' energy: -78.712 flat angles C4'-P-C4' energy: -83.908 flat angles P-C4'-P energy: -41.081 tors. eta vs tors. theta energy: -56.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1059.862950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.862950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.862950 (E_RNA) where: Base-Base interactions energy: -701.193 where: short stacking energy: -306.762 Base-Backbone interact. energy: -0.694 local terms energy: -357.976264 where: bonds (distance) C4'-P energy: -68.840 bonds (distance) P-C4' energy: -82.722 flat angles C4'-P-C4' energy: -76.583 flat angles P-C4'-P energy: -44.623 tors. eta vs tors. theta energy: -85.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -803.671683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.671683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.671683 (E_RNA) where: Base-Base interactions energy: -445.874 where: short stacking energy: -231.105 Base-Backbone interact. energy: -0.921 local terms energy: -356.877110 where: bonds (distance) C4'-P energy: -78.288 bonds (distance) P-C4' energy: -83.666 flat angles C4'-P-C4' energy: -77.870 flat angles P-C4'-P energy: -63.747 tors. eta vs tors. theta energy: -53.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -687.701688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.701688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.701688 (E_RNA) where: Base-Base interactions energy: -385.301 where: short stacking energy: -237.290 Base-Backbone interact. energy: 3.459 local terms energy: -305.858960 where: bonds (distance) C4'-P energy: -66.115 bonds (distance) P-C4' energy: -79.723 flat angles C4'-P-C4' energy: -73.984 flat angles P-C4'-P energy: -45.136 tors. eta vs tors. theta energy: -40.901 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: 1 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -734.938139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.938139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.938139 (E_RNA) where: Base-Base interactions energy: -424.783 where: short stacking energy: -205.673 Base-Backbone interact. energy: -1.035 local terms energy: -309.120905 where: bonds (distance) C4'-P energy: -70.765 bonds (distance) P-C4' energy: -75.285 flat angles C4'-P-C4' energy: -78.719 flat angles P-C4'-P energy: -45.876 tors. eta vs tors. theta energy: -38.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -604.446209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.446209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.446209 (E_RNA) where: Base-Base interactions energy: -326.900 where: short stacking energy: -176.099 Base-Backbone interact. energy: 1.138 local terms energy: -278.684099 where: bonds (distance) C4'-P energy: -70.714 bonds (distance) P-C4' energy: -74.778 flat angles C4'-P-C4' energy: -65.953 flat angles P-C4'-P energy: -38.724 tors. eta vs tors. theta energy: -28.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -436.569274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.569274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.569274 (E_RNA) where: Base-Base interactions energy: -184.060 where: short stacking energy: -141.299 Base-Backbone interact. energy: 2.667 local terms energy: -255.175990 where: bonds (distance) C4'-P energy: -50.680 bonds (distance) P-C4' energy: -82.500 flat angles C4'-P-C4' energy: -68.029 flat angles P-C4'-P energy: -42.397 tors. eta vs tors. theta energy: -11.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -364.116120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.116120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.116120 (E_RNA) where: Base-Base interactions energy: -119.398 where: short stacking energy: -97.135 Base-Backbone interact. energy: 3.182 local terms energy: -247.900834 where: bonds (distance) C4'-P energy: -70.261 bonds (distance) P-C4' energy: -73.894 flat angles C4'-P-C4' energy: -61.997 flat angles P-C4'-P energy: -42.061 tors. eta vs tors. theta energy: 0.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -304.443433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.443433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.443433 (E_RNA) where: Base-Base interactions energy: -117.713 where: short stacking energy: -89.794 Base-Backbone interact. energy: 0.037 local terms energy: -186.767571 where: bonds (distance) C4'-P energy: -60.252 bonds (distance) P-C4' energy: -60.744 flat angles C4'-P-C4' energy: -47.281 flat angles P-C4'-P energy: -37.956 tors. eta vs tors. theta energy: 19.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1095.153955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.153955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.153955 (E_RNA) where: Base-Base interactions energy: -704.045 where: short stacking energy: -351.110 Base-Backbone interact. energy: -2.164 local terms energy: -388.945447 where: bonds (distance) C4'-P energy: -76.050 bonds (distance) P-C4' energy: -84.672 flat angles C4'-P-C4' energy: -84.298 flat angles P-C4'-P energy: -55.142 tors. eta vs tors. theta energy: -88.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1110.447289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.447289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.447289 (E_RNA) where: Base-Base interactions energy: -737.097 where: short stacking energy: -339.696 Base-Backbone interact. energy: 1.735 local terms energy: -375.085305 where: bonds (distance) C4'-P energy: -82.019 bonds (distance) P-C4' energy: -72.652 flat angles C4'-P-C4' energy: -90.181 flat angles P-C4'-P energy: -44.172 tors. eta vs tors. theta energy: -86.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -851.655057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.655057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.655057 (E_RNA) where: Base-Base interactions energy: -518.730 where: short stacking energy: -259.162 Base-Backbone interact. energy: -0.856 local terms energy: -332.068362 where: bonds (distance) C4'-P energy: -73.084 bonds (distance) P-C4' energy: -80.464 flat angles C4'-P-C4' energy: -82.909 flat angles P-C4'-P energy: -43.579 tors. eta vs tors. theta energy: -52.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -788.089290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.089290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.089290 (E_RNA) where: Base-Base interactions energy: -453.685 where: short stacking energy: -238.940 Base-Backbone interact. energy: -1.238 local terms energy: -333.166244 where: bonds (distance) C4'-P energy: -62.001 bonds (distance) P-C4' energy: -80.282 flat angles C4'-P-C4' energy: -81.093 flat angles P-C4'-P energy: -61.015 tors. eta vs tors. theta energy: -48.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -668.515426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.515426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.515426 (E_RNA) where: Base-Base interactions energy: -354.087 where: short stacking energy: -227.788 Base-Backbone interact. energy: -1.136 local terms energy: -313.292583 where: bonds (distance) C4'-P energy: -86.868 bonds (distance) P-C4' energy: -71.250 flat angles C4'-P-C4' energy: -75.788 flat angles P-C4'-P energy: -31.509 tors. eta vs tors. theta energy: -47.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -724.075439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.075439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.075439 (E_RNA) where: Base-Base interactions energy: -410.144 where: short stacking energy: -221.356 Base-Backbone interact. energy: -1.879 local terms energy: -312.052485 where: bonds (distance) C4'-P energy: -71.740 bonds (distance) P-C4' energy: -75.999 flat angles C4'-P-C4' energy: -74.542 flat angles P-C4'-P energy: -42.398 tors. eta vs tors. theta energy: -47.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -647.765309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.765309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.765309 (E_RNA) where: Base-Base interactions energy: -359.330 where: short stacking energy: -223.583 Base-Backbone interact. energy: 0.448 local terms energy: -288.883509 where: bonds (distance) C4'-P energy: -59.318 bonds (distance) P-C4' energy: -82.365 flat angles C4'-P-C4' energy: -67.629 flat angles P-C4'-P energy: -48.471 tors. eta vs tors. theta energy: -31.100 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: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -400.656215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.656215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.656215 (E_RNA) where: Base-Base interactions energy: -152.267 where: short stacking energy: -131.638 Base-Backbone interact. energy: -0.786 local terms energy: -247.602914 where: bonds (distance) C4'-P energy: -55.531 bonds (distance) P-C4' energy: -73.766 flat angles C4'-P-C4' energy: -66.930 flat angles P-C4'-P energy: -37.502 tors. eta vs tors. theta energy: -13.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -477.239835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.239835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.239835 (E_RNA) where: Base-Base interactions energy: -228.945 where: short stacking energy: -144.970 Base-Backbone interact. energy: -0.664 local terms energy: -247.630593 where: bonds (distance) C4'-P energy: -65.405 bonds (distance) P-C4' energy: -61.526 flat angles C4'-P-C4' energy: -68.621 flat angles P-C4'-P energy: -37.923 tors. eta vs tors. theta energy: -14.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -314.984455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.984455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.984455 (E_RNA) where: Base-Base interactions energy: -119.940 where: short stacking energy: -92.944 Base-Backbone interact. energy: 8.348 local terms energy: -203.392015 where: bonds (distance) C4'-P energy: -65.604 bonds (distance) P-C4' energy: -77.451 flat angles C4'-P-C4' energy: -53.763 flat angles P-C4'-P energy: -18.343 tors. eta vs tors. theta energy: 11.768 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: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1151.351440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.351440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.351440 (E_RNA) where: Base-Base interactions energy: -762.115 where: short stacking energy: -347.071 Base-Backbone interact. energy: -0.852 local terms energy: -388.384439 where: bonds (distance) C4'-P energy: -84.420 bonds (distance) P-C4' energy: -76.475 flat angles C4'-P-C4' energy: -87.719 flat angles P-C4'-P energy: -54.586 tors. eta vs tors. theta energy: -85.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1062.806033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.806033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.806033 (E_RNA) where: Base-Base interactions energy: -688.035 where: short stacking energy: -346.613 Base-Backbone interact. energy: -1.952 local terms energy: -372.819501 where: bonds (distance) C4'-P energy: -74.642 bonds (distance) P-C4' energy: -83.857 flat angles C4'-P-C4' energy: -79.720 flat angles P-C4'-P energy: -49.316 tors. eta vs tors. theta energy: -85.285 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: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -911.678205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.678205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.678205 (E_RNA) where: Base-Base interactions energy: -564.500 where: short stacking energy: -293.029 Base-Backbone interact. energy: -3.294 local terms energy: -343.884311 where: bonds (distance) C4'-P energy: -62.630 bonds (distance) P-C4' energy: -71.328 flat angles C4'-P-C4' energy: -80.325 flat angles P-C4'-P energy: -51.679 tors. eta vs tors. theta energy: -77.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -748.040407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.040407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.040407 (E_RNA) where: Base-Base interactions energy: -412.289 where: short stacking energy: -242.009 Base-Backbone interact. energy: -1.142 local terms energy: -334.609242 where: bonds (distance) C4'-P energy: -75.315 bonds (distance) P-C4' energy: -73.682 flat angles C4'-P-C4' energy: -78.216 flat angles P-C4'-P energy: -50.136 tors. eta vs tors. theta energy: -57.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -731.671421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.671421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.671421 (E_RNA) where: Base-Base interactions energy: -417.624 where: short stacking energy: -236.383 Base-Backbone interact. energy: 1.374 local terms energy: -315.422046 where: bonds (distance) C4'-P energy: -64.675 bonds (distance) P-C4' energy: -67.817 flat angles C4'-P-C4' energy: -81.512 flat angles P-C4'-P energy: -51.177 tors. eta vs tors. theta energy: -50.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -623.992567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.992567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.992567 (E_RNA) where: Base-Base interactions energy: -323.906 where: short stacking energy: -192.584 Base-Backbone interact. energy: -1.653 local terms energy: -298.433761 where: bonds (distance) C4'-P energy: -67.935 bonds (distance) P-C4' energy: -71.606 flat angles C4'-P-C4' energy: -71.709 flat angles P-C4'-P energy: -54.138 tors. eta vs tors. theta energy: -33.045 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: 2 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -693.164675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.164675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.164675 (E_RNA) where: Base-Base interactions energy: -426.525 where: short stacking energy: -223.357 Base-Backbone interact. energy: -1.650 local terms energy: -264.989545 where: bonds (distance) C4'-P energy: -59.100 bonds (distance) P-C4' energy: -70.047 flat angles C4'-P-C4' energy: -73.273 flat angles P-C4'-P energy: -25.949 tors. eta vs tors. theta energy: -36.620 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: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -372.147919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.147919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.147919 (E_RNA) where: Base-Base interactions energy: -149.695 where: short stacking energy: -125.804 Base-Backbone interact. energy: 0.055 local terms energy: -222.508015 where: bonds (distance) C4'-P energy: -54.691 bonds (distance) P-C4' energy: -59.566 flat angles C4'-P-C4' energy: -57.547 flat angles P-C4'-P energy: -41.113 tors. eta vs tors. theta energy: -9.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -398.825094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.825094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.825094 (E_RNA) where: Base-Base interactions energy: -174.994 where: short stacking energy: -96.766 Base-Backbone interact. energy: -1.054 local terms energy: -222.777279 where: bonds (distance) C4'-P energy: -63.729 bonds (distance) P-C4' energy: -73.804 flat angles C4'-P-C4' energy: -53.800 flat angles P-C4'-P energy: -36.570 tors. eta vs tors. theta energy: 5.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -330.567143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.567143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.567143 (E_RNA) where: Base-Base interactions energy: -120.000 where: short stacking energy: -118.926 Base-Backbone interact. energy: -1.767 local terms energy: -208.800065 where: bonds (distance) C4'-P energy: -57.062 bonds (distance) P-C4' energy: -66.082 flat angles C4'-P-C4' energy: -47.552 flat angles P-C4'-P energy: -42.091 tors. eta vs tors. theta energy: 3.986 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: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1153.299792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.299792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.299792 (E_RNA) where: Base-Base interactions energy: -761.807 where: short stacking energy: -363.588 Base-Backbone interact. energy: -0.578 local terms energy: -390.914923 where: bonds (distance) C4'-P energy: -67.287 bonds (distance) P-C4' energy: -76.526 flat angles C4'-P-C4' energy: -83.276 flat angles P-C4'-P energy: -64.599 tors. eta vs tors. theta energy: -99.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1039.766303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.766303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.766303 (E_RNA) where: Base-Base interactions energy: -657.672 where: short stacking energy: -299.663 Base-Backbone interact. energy: -1.297 local terms energy: -380.797722 where: bonds (distance) C4'-P energy: -79.896 bonds (distance) P-C4' energy: -81.427 flat angles C4'-P-C4' energy: -89.934 flat angles P-C4'-P energy: -53.921 tors. eta vs tors. theta energy: -75.619 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: 19 Temperature: 1.000000 Total energy: -957.872213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.872213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.872213 (E_RNA) where: Base-Base interactions energy: -608.867 where: short stacking energy: -281.624 Base-Backbone interact. energy: -1.969 local terms energy: -347.035441 where: bonds (distance) C4'-P energy: -71.710 bonds (distance) P-C4' energy: -73.412 flat angles C4'-P-C4' energy: -76.725 flat angles P-C4'-P energy: -54.279 tors. eta vs tors. theta energy: -70.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -763.494097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.494097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.494097 (E_RNA) where: Base-Base interactions energy: -443.983 where: short stacking energy: -226.130 Base-Backbone interact. energy: -2.715 local terms energy: -316.796212 where: bonds (distance) C4'-P energy: -71.167 bonds (distance) P-C4' energy: -72.774 flat angles C4'-P-C4' energy: -76.033 flat angles P-C4'-P energy: -54.369 tors. eta vs tors. theta energy: -42.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -742.413695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.413695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.413695 (E_RNA) where: Base-Base interactions energy: -439.295 where: short stacking energy: -209.196 Base-Backbone interact. energy: 0.441 local terms energy: -303.559807 where: bonds (distance) C4'-P energy: -65.118 bonds (distance) P-C4' energy: -83.991 flat angles C4'-P-C4' energy: -73.608 flat angles P-C4'-P energy: -41.609 tors. eta vs tors. theta energy: -39.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -750.183648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.183648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.183648 (E_RNA) where: Base-Base interactions energy: -430.860 where: short stacking energy: -229.588 Base-Backbone interact. energy: -0.197 local terms energy: -319.126518 where: bonds (distance) C4'-P energy: -65.660 bonds (distance) P-C4' energy: -76.624 flat angles C4'-P-C4' energy: -79.576 flat angles P-C4'-P energy: -40.888 tors. eta vs tors. theta energy: -56.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -582.048704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.048704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.048704 (E_RNA) where: Base-Base interactions energy: -317.146 where: short stacking energy: -179.806 Base-Backbone interact. energy: -1.603 local terms energy: -263.299739 where: bonds (distance) C4'-P energy: -67.138 bonds (distance) P-C4' energy: -55.670 flat angles C4'-P-C4' energy: -69.507 flat angles P-C4'-P energy: -50.689 tors. eta vs tors. theta energy: -20.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -464.551370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.551370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.551370 (E_RNA) where: Base-Base interactions energy: -219.324 where: short stacking energy: -163.627 Base-Backbone interact. energy: -0.636 local terms energy: -244.591829 where: bonds (distance) C4'-P energy: -73.423 bonds (distance) P-C4' energy: -69.038 flat angles C4'-P-C4' energy: -47.545 flat angles P-C4'-P energy: -45.410 tors. eta vs tors. theta energy: -9.176 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: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -394.246801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.246801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.246801 (E_RNA) where: Base-Base interactions energy: -171.730 where: short stacking energy: -131.627 Base-Backbone interact. energy: 5.963 local terms energy: -228.479564 where: bonds (distance) C4'-P energy: -65.613 bonds (distance) P-C4' energy: -68.628 flat angles C4'-P-C4' energy: -45.707 flat angles P-C4'-P energy: -43.402 tors. eta vs tors. theta energy: -5.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -344.457213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.457213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.457213 (E_RNA) where: Base-Base interactions energy: -153.759 where: short stacking energy: -110.841 Base-Backbone interact. energy: -2.971 local terms energy: -187.726714 where: bonds (distance) C4'-P energy: -59.578 bonds (distance) P-C4' energy: -62.955 flat angles C4'-P-C4' energy: -56.786 flat angles P-C4'-P energy: -15.646 tors. eta vs tors. theta energy: 7.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1187.651456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.651456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.651456 (E_RNA) where: Base-Base interactions energy: -778.942 where: short stacking energy: -370.763 Base-Backbone interact. energy: -1.306 local terms energy: -407.403701 where: bonds (distance) C4'-P energy: -73.320 bonds (distance) P-C4' energy: -85.774 flat angles C4'-P-C4' energy: -86.272 flat angles P-C4'-P energy: -57.989 tors. eta vs tors. theta energy: -104.049 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: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1046.163347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.163347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.163347 (E_RNA) where: Base-Base interactions energy: -667.933 where: short stacking energy: -350.489 Base-Backbone interact. energy: -3.001 local terms energy: -375.228702 where: bonds (distance) C4'-P energy: -74.459 bonds (distance) P-C4' energy: -76.552 flat angles C4'-P-C4' energy: -77.387 flat angles P-C4'-P energy: -62.684 tors. eta vs tors. theta energy: -84.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -915.810047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.810047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.810047 (E_RNA) where: Base-Base interactions energy: -570.731 where: short stacking energy: -290.754 Base-Backbone interact. energy: 0.155 local terms energy: -345.234350 where: bonds (distance) C4'-P energy: -65.834 bonds (distance) P-C4' energy: -76.344 flat angles C4'-P-C4' energy: -82.834 flat angles P-C4'-P energy: -51.410 tors. eta vs tors. theta energy: -68.812 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: 20 Temperature: 1.050000 Total energy: -800.211928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.211928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.211928 (E_RNA) where: Base-Base interactions energy: -491.853 where: short stacking energy: -281.562 Base-Backbone interact. energy: -0.511 local terms energy: -307.848224 where: bonds (distance) C4'-P energy: -63.297 bonds (distance) P-C4' energy: -72.076 flat angles C4'-P-C4' energy: -68.514 flat angles P-C4'-P energy: -49.531 tors. eta vs tors. theta energy: -54.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -761.474776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.474776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.474776 (E_RNA) where: Base-Base interactions energy: -468.933 where: short stacking energy: -227.463 Base-Backbone interact. energy: -2.576 local terms energy: -289.965159 where: bonds (distance) C4'-P energy: -68.964 bonds (distance) P-C4' energy: -65.895 flat angles C4'-P-C4' energy: -65.988 flat angles P-C4'-P energy: -48.957 tors. eta vs tors. theta energy: -40.162 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: 2 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -758.928459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.928459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.928459 (E_RNA) where: Base-Base interactions energy: -450.226 where: short stacking energy: -224.003 Base-Backbone interact. energy: -0.611 local terms energy: -308.091372 where: bonds (distance) C4'-P energy: -67.419 bonds (distance) P-C4' energy: -86.986 flat angles C4'-P-C4' energy: -67.100 flat angles P-C4'-P energy: -41.070 tors. eta vs tors. theta energy: -45.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -622.682666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.682666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.682666 (E_RNA) where: Base-Base interactions energy: -360.288 where: short stacking energy: -211.742 Base-Backbone interact. energy: 0.982 local terms energy: -263.376196 where: bonds (distance) C4'-P energy: -53.691 bonds (distance) P-C4' energy: -66.052 flat angles C4'-P-C4' energy: -66.689 flat angles P-C4'-P energy: -45.582 tors. eta vs tors. theta energy: -31.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -422.945715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.945715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.945715 (E_RNA) where: Base-Base interactions energy: -167.926 where: short stacking energy: -124.086 Base-Backbone interact. energy: 2.095 local terms energy: -257.115463 where: bonds (distance) C4'-P energy: -69.087 bonds (distance) P-C4' energy: -69.813 flat angles C4'-P-C4' energy: -61.439 flat angles P-C4'-P energy: -41.788 tors. eta vs tors. theta energy: -14.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -406.233576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.233576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.233576 (E_RNA) where: Base-Base interactions energy: -187.841 where: short stacking energy: -116.479 Base-Backbone interact. energy: -1.478 local terms energy: -216.914671 where: bonds (distance) C4'-P energy: -72.633 bonds (distance) P-C4' energy: -59.358 flat angles C4'-P-C4' energy: -58.610 flat angles P-C4'-P energy: -22.933 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -407.728186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.728186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.728186 (E_RNA) where: Base-Base interactions energy: -192.993 where: short stacking energy: -120.197 Base-Backbone interact. energy: -0.523 local terms energy: -214.212074 where: bonds (distance) C4'-P energy: -64.557 bonds (distance) P-C4' energy: -65.687 flat angles C4'-P-C4' energy: -56.694 flat angles P-C4'-P energy: -34.654 tors. eta vs tors. theta energy: 7.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1179.057287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.057287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.057287 (E_RNA) where: Base-Base interactions energy: -787.216 where: short stacking energy: -372.707 Base-Backbone interact. energy: 0.367 local terms energy: -392.207596 where: bonds (distance) C4'-P energy: -78.482 bonds (distance) P-C4' energy: -75.961 flat angles C4'-P-C4' energy: -85.143 flat angles P-C4'-P energy: -55.644 tors. eta vs tors. theta energy: -96.977 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: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1068.632562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.632562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.632562 (E_RNA) where: Base-Base interactions energy: -690.530 where: short stacking energy: -328.883 Base-Backbone interact. energy: -1.686 local terms energy: -376.416490 where: bonds (distance) C4'-P energy: -73.668 bonds (distance) P-C4' energy: -82.895 flat angles C4'-P-C4' energy: -88.065 flat angles P-C4'-P energy: -47.951 tors. eta vs tors. theta energy: -83.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -941.181436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.181436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.181436 (E_RNA) where: Base-Base interactions energy: -595.353 where: short stacking energy: -279.153 Base-Backbone interact. energy: -1.223 local terms energy: -344.605640 where: bonds (distance) C4'-P energy: -73.405 bonds (distance) P-C4' energy: -83.176 flat angles C4'-P-C4' energy: -75.012 flat angles P-C4'-P energy: -41.817 tors. eta vs tors. theta energy: -71.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -784.420249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.420249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.420249 (E_RNA) where: Base-Base interactions energy: -452.393 where: short stacking energy: -270.902 Base-Backbone interact. energy: 2.756 local terms energy: -334.783308 where: bonds (distance) C4'-P energy: -71.513 bonds (distance) P-C4' energy: -76.084 flat angles C4'-P-C4' energy: -84.326 flat angles P-C4'-P energy: -37.779 tors. eta vs tors. theta energy: -65.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -752.883342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.883342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.883342 (E_RNA) where: Base-Base interactions energy: -442.069 where: short stacking energy: -217.634 Base-Backbone interact. energy: -2.688 local terms energy: -308.126551 where: bonds (distance) C4'-P energy: -69.878 bonds (distance) P-C4' energy: -81.556 flat angles C4'-P-C4' energy: -70.767 flat angles P-C4'-P energy: -49.100 tors. eta vs tors. theta energy: -36.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -737.752338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.752338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.752338 (E_RNA) where: Base-Base interactions energy: -442.919 where: short stacking energy: -221.677 Base-Backbone interact. energy: -0.381 local terms energy: -294.452484 where: bonds (distance) C4'-P energy: -77.896 bonds (distance) P-C4' energy: -62.879 flat angles C4'-P-C4' energy: -66.484 flat angles P-C4'-P energy: -45.047 tors. eta vs tors. theta energy: -42.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -615.659655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.659655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.659655 (E_RNA) where: Base-Base interactions energy: -358.571 where: short stacking energy: -192.232 Base-Backbone interact. energy: 1.662 local terms energy: -258.750376 where: bonds (distance) C4'-P energy: -62.191 bonds (distance) P-C4' energy: -72.324 flat angles C4'-P-C4' energy: -57.866 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: -22.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -375.758263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.758263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.758263 (E_RNA) where: Base-Base interactions energy: -149.535 where: short stacking energy: -85.896 Base-Backbone interact. energy: 2.715 local terms energy: -228.937463 where: bonds (distance) C4'-P energy: -54.806 bonds (distance) P-C4' energy: -74.934 flat angles C4'-P-C4' energy: -60.987 flat angles P-C4'-P energy: -46.497 tors. eta vs tors. theta energy: 8.287 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: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -414.163034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.163034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.163034 (E_RNA) where: Base-Base interactions energy: -191.805 where: short stacking energy: -142.453 Base-Backbone interact. energy: -1.499 local terms energy: -220.859007 where: bonds (distance) C4'-P energy: -58.525 bonds (distance) P-C4' energy: -57.592 flat angles C4'-P-C4' energy: -67.625 flat angles P-C4'-P energy: -28.571 tors. eta vs tors. theta energy: -8.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -415.214977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.214977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.214977 (E_RNA) where: Base-Base interactions energy: -204.361 where: short stacking energy: -121.019 Base-Backbone interact. energy: 0.271 local terms energy: -211.124777 where: bonds (distance) C4'-P energy: -64.476 bonds (distance) P-C4' energy: -63.133 flat angles C4'-P-C4' energy: -56.947 flat angles P-C4'-P energy: -27.097 tors. eta vs tors. theta energy: 0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1175.772922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.772922 (E_RNA) where: Base-Base interactions energy: -793.116 where: short stacking energy: -331.591 Base-Backbone interact. energy: 0.391 local terms energy: -383.047534 where: bonds (distance) C4'-P energy: -67.270 bonds (distance) P-C4' energy: -83.297 flat angles C4'-P-C4' energy: -80.277 flat angles P-C4'-P energy: -62.378 tors. eta vs tors. theta energy: -89.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1079.980113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.980113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.980113 (E_RNA) where: Base-Base interactions energy: -704.665 where: short stacking energy: -335.630 Base-Backbone interact. energy: -0.133 local terms energy: -375.181720 where: bonds (distance) C4'-P energy: -75.961 bonds (distance) P-C4' energy: -71.731 flat angles C4'-P-C4' energy: -92.606 flat angles P-C4'-P energy: -50.619 tors. eta vs tors. theta energy: -84.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -929.344237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.344237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.344237 (E_RNA) where: Base-Base interactions energy: -584.345 where: short stacking energy: -288.486 Base-Backbone interact. energy: -0.698 local terms energy: -344.301672 where: bonds (distance) C4'-P energy: -68.654 bonds (distance) P-C4' energy: -78.471 flat angles C4'-P-C4' energy: -87.032 flat angles P-C4'-P energy: -44.186 tors. eta vs tors. theta energy: -65.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -808.174101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.174101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.174101 (E_RNA) where: Base-Base interactions energy: -473.389 where: short stacking energy: -250.432 Base-Backbone interact. energy: 0.606 local terms energy: -335.390623 where: bonds (distance) C4'-P energy: -65.686 bonds (distance) P-C4' energy: -75.850 flat angles C4'-P-C4' energy: -78.023 flat angles P-C4'-P energy: -59.444 tors. eta vs tors. theta energy: -56.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -820.687898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.687898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.687898 (E_RNA) where: Base-Base interactions energy: -501.211 where: short stacking energy: -248.949 Base-Backbone interact. energy: -1.827 local terms energy: -317.649141 where: bonds (distance) C4'-P energy: -70.348 bonds (distance) P-C4' energy: -64.552 flat angles C4'-P-C4' energy: -71.636 flat angles P-C4'-P energy: -55.196 tors. eta vs tors. theta energy: -55.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -709.203698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.203698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.203698 (E_RNA) where: Base-Base interactions energy: -417.877 where: short stacking energy: -221.252 Base-Backbone interact. energy: -1.765 local terms energy: -289.561692 where: bonds (distance) C4'-P energy: -79.087 bonds (distance) P-C4' energy: -60.079 flat angles C4'-P-C4' energy: -66.484 flat angles P-C4'-P energy: -45.846 tors. eta vs tors. theta energy: -38.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -573.238492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.238492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.238492 (E_RNA) where: Base-Base interactions energy: -306.490 where: short stacking energy: -157.883 Base-Backbone interact. energy: 4.489 local terms energy: -271.236793 where: bonds (distance) C4'-P energy: -63.181 bonds (distance) P-C4' energy: -70.854 flat angles C4'-P-C4' energy: -65.515 flat angles P-C4'-P energy: -48.642 tors. eta vs tors. theta energy: -23.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -436.085998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.085998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.085998 (E_RNA) where: Base-Base interactions energy: -199.539 where: short stacking energy: -136.394 Base-Backbone interact. energy: 1.553 local terms energy: -238.100454 where: bonds (distance) C4'-P energy: -65.143 bonds (distance) P-C4' energy: -77.646 flat angles C4'-P-C4' energy: -51.707 flat angles P-C4'-P energy: -36.973 tors. eta vs tors. theta energy: -6.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -455.764199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.764199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.764199 (E_RNA) where: Base-Base interactions energy: -226.124 where: short stacking energy: -145.301 Base-Backbone interact. energy: -1.921 local terms energy: -227.719347 where: bonds (distance) C4'-P energy: -52.713 bonds (distance) P-C4' energy: -73.145 flat angles C4'-P-C4' energy: -64.203 flat angles P-C4'-P energy: -33.255 tors. eta vs tors. theta energy: -4.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -339.986940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.986940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.986940 (E_RNA) where: Base-Base interactions energy: -128.831 where: short stacking energy: -87.075 Base-Backbone interact. energy: -0.218 local terms energy: -210.938112 where: bonds (distance) C4'-P energy: -64.164 bonds (distance) P-C4' energy: -75.007 flat angles C4'-P-C4' energy: -56.901 flat angles P-C4'-P energy: -40.899 tors. eta vs tors. theta energy: 26.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1184.224444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.224444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.224444 (E_RNA) where: Base-Base interactions energy: -792.653 where: short stacking energy: -351.405 Base-Backbone interact. energy: -0.874 local terms energy: -390.698241 where: bonds (distance) C4'-P energy: -77.202 bonds (distance) P-C4' energy: -77.649 flat angles C4'-P-C4' energy: -82.641 flat angles P-C4'-P energy: -51.870 tors. eta vs tors. theta energy: -101.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1061.174139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.174139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.174139 (E_RNA) where: Base-Base interactions energy: -679.400 where: short stacking energy: -316.402 Base-Backbone interact. energy: -1.956 local terms energy: -379.818320 where: bonds (distance) C4'-P energy: -85.382 bonds (distance) P-C4' energy: -72.476 flat angles C4'-P-C4' energy: -87.025 flat angles P-C4'-P energy: -55.209 tors. eta vs tors. theta energy: -79.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -960.772817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.772817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.772817 (E_RNA) where: Base-Base interactions energy: -591.018 where: short stacking energy: -292.799 Base-Backbone interact. energy: 1.438 local terms energy: -371.193111 where: bonds (distance) C4'-P energy: -80.394 bonds (distance) P-C4' energy: -80.512 flat angles C4'-P-C4' energy: -86.656 flat angles P-C4'-P energy: -51.926 tors. eta vs tors. theta energy: -71.705 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: 23 Temperature: 1.050000 Total energy: -905.480659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.480659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.480659 (E_RNA) where: Base-Base interactions energy: -547.786 where: short stacking energy: -284.036 Base-Backbone interact. energy: 0.836 local terms energy: -358.530192 where: bonds (distance) C4'-P energy: -74.462 bonds (distance) P-C4' energy: -80.202 flat angles C4'-P-C4' energy: -73.460 flat angles P-C4'-P energy: -51.272 tors. eta vs tors. theta energy: -79.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -812.162282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.162282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.162282 (E_RNA) where: Base-Base interactions energy: -470.079 where: short stacking energy: -248.750 Base-Backbone interact. energy: -0.301 local terms energy: -341.782188 where: bonds (distance) C4'-P energy: -76.092 bonds (distance) P-C4' energy: -69.529 flat angles C4'-P-C4' energy: -77.612 flat angles P-C4'-P energy: -59.641 tors. eta vs tors. theta energy: -58.908 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: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -698.398866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.398866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.398866 (E_RNA) where: Base-Base interactions energy: -413.246 where: short stacking energy: -221.483 Base-Backbone interact. energy: -2.803 local terms energy: -282.349540 where: bonds (distance) C4'-P energy: -70.686 bonds (distance) P-C4' energy: -77.348 flat angles C4'-P-C4' energy: -55.698 flat angles P-C4'-P energy: -40.921 tors. eta vs tors. theta energy: -37.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -629.714345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.714345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.714345 (E_RNA) where: Base-Base interactions energy: -339.975 where: short stacking energy: -182.484 Base-Backbone interact. energy: 0.877 local terms energy: -290.615783 where: bonds (distance) C4'-P energy: -55.961 bonds (distance) P-C4' energy: -76.234 flat angles C4'-P-C4' energy: -77.781 flat angles P-C4'-P energy: -47.223 tors. eta vs tors. theta energy: -33.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -485.725571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.725571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.725571 (E_RNA) where: Base-Base interactions energy: -250.997 where: short stacking energy: -161.852 Base-Backbone interact. energy: -1.181 local terms energy: -233.548081 where: bonds (distance) C4'-P energy: -57.715 bonds (distance) P-C4' energy: -65.181 flat angles C4'-P-C4' energy: -68.364 flat angles P-C4'-P energy: -35.423 tors. eta vs tors. theta energy: -6.864 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: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -407.068827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.068827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.068827 (E_RNA) where: Base-Base interactions energy: -196.166 where: short stacking energy: -129.066 Base-Backbone interact. energy: 0.105 local terms energy: -211.007765 where: bonds (distance) C4'-P energy: -41.290 bonds (distance) P-C4' energy: -68.308 flat angles C4'-P-C4' energy: -60.817 flat angles P-C4'-P energy: -31.761 tors. eta vs tors. theta energy: -8.831 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: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -321.855207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.855207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.855207 (E_RNA) where: Base-Base interactions energy: -118.890 where: short stacking energy: -101.102 Base-Backbone interact. energy: -1.934 local terms energy: -201.030270 where: bonds (distance) C4'-P energy: -57.520 bonds (distance) P-C4' energy: -76.068 flat angles C4'-P-C4' energy: -50.422 flat angles P-C4'-P energy: -26.617 tors. eta vs tors. theta energy: 9.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1218.764887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.764887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.764887 (E_RNA) where: Base-Base interactions energy: -813.079 where: short stacking energy: -387.989 Base-Backbone interact. energy: 0.919 local terms energy: -406.605374 where: bonds (distance) C4'-P energy: -78.148 bonds (distance) P-C4' energy: -77.401 flat angles C4'-P-C4' energy: -88.932 flat angles P-C4'-P energy: -53.390 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: 2, replica: 4 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1081.775346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.775346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.775346 (E_RNA) where: Base-Base interactions energy: -710.305 where: short stacking energy: -331.509 Base-Backbone interact. energy: -1.331 local terms energy: -370.138489 where: bonds (distance) C4'-P energy: -81.388 bonds (distance) P-C4' energy: -75.558 flat angles C4'-P-C4' energy: -76.055 flat angles P-C4'-P energy: -51.946 tors. eta vs tors. theta energy: -85.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -952.684094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.684094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.684094 (E_RNA) where: Base-Base interactions energy: -602.257 where: short stacking energy: -294.943 Base-Backbone interact. energy: -4.513 local terms energy: -345.913640 where: bonds (distance) C4'-P energy: -82.788 bonds (distance) P-C4' energy: -70.226 flat angles C4'-P-C4' energy: -82.320 flat angles P-C4'-P energy: -37.566 tors. eta vs tors. theta energy: -73.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -889.248229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.248229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.248229 (E_RNA) where: Base-Base interactions energy: -546.559 where: short stacking energy: -280.212 Base-Backbone interact. energy: -1.339 local terms energy: -341.349848 where: bonds (distance) C4'-P energy: -72.754 bonds (distance) P-C4' energy: -68.133 flat angles C4'-P-C4' energy: -80.057 flat angles P-C4'-P energy: -55.180 tors. eta vs tors. theta energy: -65.225 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: 24 Temperature: 1.100000 Total energy: -809.574657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.574657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.574657 (E_RNA) where: Base-Base interactions energy: -482.763 where: short stacking energy: -260.595 Base-Backbone interact. energy: 4.808 local terms energy: -331.619247 where: bonds (distance) C4'-P energy: -67.024 bonds (distance) P-C4' energy: -78.916 flat angles C4'-P-C4' energy: -78.962 flat angles P-C4'-P energy: -47.604 tors. eta vs tors. theta energy: -59.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -729.936294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.936294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.936294 (E_RNA) where: Base-Base interactions energy: -454.714 where: short stacking energy: -221.913 Base-Backbone interact. energy: 1.497 local terms energy: -276.719294 where: bonds (distance) C4'-P energy: -49.784 bonds (distance) P-C4' energy: -75.818 flat angles C4'-P-C4' energy: -64.104 flat angles P-C4'-P energy: -61.253 tors. eta vs tors. theta energy: -25.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -618.564865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.564865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.564865 (E_RNA) where: Base-Base interactions energy: -355.934 where: short stacking energy: -195.890 Base-Backbone interact. energy: 1.593 local terms energy: -264.223520 where: bonds (distance) C4'-P energy: -55.889 bonds (distance) P-C4' energy: -68.868 flat angles C4'-P-C4' energy: -61.075 flat angles P-C4'-P energy: -49.612 tors. eta vs tors. theta energy: -28.780 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: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -476.493901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.493901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.493901 (E_RNA) where: Base-Base interactions energy: -210.813 where: short stacking energy: -134.038 Base-Backbone interact. energy: -0.100 local terms energy: -265.580463 where: bonds (distance) C4'-P energy: -69.200 bonds (distance) P-C4' energy: -70.577 flat angles C4'-P-C4' energy: -66.897 flat angles P-C4'-P energy: -49.721 tors. eta vs tors. theta energy: -9.186 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: 24 Temperature: 1.300000 Total energy: -446.102880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.102880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.102880 (E_RNA) where: Base-Base interactions energy: -227.912 where: short stacking energy: -158.068 Base-Backbone interact. energy: -0.886 local terms energy: -217.304485 where: bonds (distance) C4'-P energy: -62.593 bonds (distance) P-C4' energy: -42.958 flat angles C4'-P-C4' energy: -60.027 flat angles P-C4'-P energy: -36.820 tors. eta vs tors. theta energy: -14.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -320.950881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.950881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.950881 (E_RNA) where: Base-Base interactions energy: -90.649 where: short stacking energy: -82.671 Base-Backbone interact. energy: 0.182 local terms energy: -230.484171 where: bonds (distance) C4'-P energy: -62.007 bonds (distance) P-C4' energy: -76.523 flat angles C4'-P-C4' energy: -58.985 flat angles P-C4'-P energy: -51.866 tors. eta vs tors. theta energy: 18.897 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: 7 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1216.311555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.311555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.311555 (E_RNA) where: Base-Base interactions energy: -793.586 where: short stacking energy: -352.073 Base-Backbone interact. energy: -1.557 local terms energy: -421.169250 where: bonds (distance) C4'-P energy: -90.220 bonds (distance) P-C4' energy: -83.587 flat angles C4'-P-C4' energy: -84.044 flat angles P-C4'-P energy: -62.499 tors. eta vs tors. theta energy: -100.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1103.696578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.696578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.696578 (E_RNA) where: Base-Base interactions energy: -725.914 where: short stacking energy: -339.844 Base-Backbone interact. energy: -3.913 local terms energy: -373.869947 where: bonds (distance) C4'-P energy: -69.144 bonds (distance) P-C4' energy: -79.579 flat angles C4'-P-C4' energy: -78.740 flat angles P-C4'-P energy: -53.849 tors. eta vs tors. theta energy: -92.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -938.153832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.153832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.153832 (E_RNA) where: Base-Base interactions energy: -581.722 where: short stacking energy: -297.030 Base-Backbone interact. energy: -2.588 local terms energy: -353.844462 where: bonds (distance) C4'-P energy: -77.060 bonds (distance) P-C4' energy: -75.347 flat angles C4'-P-C4' energy: -78.400 flat angles P-C4'-P energy: -52.645 tors. eta vs tors. theta energy: -70.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -848.523764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.523764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.523764 (E_RNA) where: Base-Base interactions energy: -489.119 where: short stacking energy: -271.867 Base-Backbone interact. energy: -2.956 local terms energy: -356.448710 where: bonds (distance) C4'-P energy: -78.837 bonds (distance) P-C4' energy: -80.684 flat angles C4'-P-C4' energy: -84.575 flat angles P-C4'-P energy: -49.969 tors. eta vs tors. theta energy: -62.384 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: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -900.473737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.473737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.473737 (E_RNA) where: Base-Base interactions energy: -555.720 where: short stacking energy: -282.997 Base-Backbone interact. energy: -0.675 local terms energy: -344.079032 where: bonds (distance) C4'-P energy: -71.969 bonds (distance) P-C4' energy: -65.861 flat angles C4'-P-C4' energy: -80.441 flat angles P-C4'-P energy: -46.849 tors. eta vs tors. theta energy: -78.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -808.741535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.741535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.741535 (E_RNA) where: Base-Base interactions energy: -524.852 where: short stacking energy: -248.757 Base-Backbone interact. energy: 0.310 local terms energy: -284.199487 where: bonds (distance) C4'-P energy: -72.870 bonds (distance) P-C4' energy: -70.768 flat angles C4'-P-C4' energy: -65.227 flat angles P-C4'-P energy: -21.522 tors. eta vs tors. theta energy: -53.812 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: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -634.410674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.410674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.410674 (E_RNA) where: Base-Base interactions energy: -364.568 where: short stacking energy: -180.314 Base-Backbone interact. energy: -0.965 local terms energy: -268.877902 where: bonds (distance) C4'-P energy: -67.348 bonds (distance) P-C4' energy: -66.705 flat angles C4'-P-C4' energy: -71.874 flat angles P-C4'-P energy: -44.145 tors. eta vs tors. theta energy: -18.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -433.083669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.083669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.083669 (E_RNA) where: Base-Base interactions energy: -198.382 where: short stacking energy: -122.631 Base-Backbone interact. energy: -1.728 local terms energy: -232.973675 where: bonds (distance) C4'-P energy: -67.746 bonds (distance) P-C4' energy: -71.156 flat angles C4'-P-C4' energy: -50.849 flat angles P-C4'-P energy: -40.130 tors. eta vs tors. theta energy: -3.093 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: 9, replica: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -484.271588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.271588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.271588 (E_RNA) where: Base-Base interactions energy: -228.278 where: short stacking energy: -125.837 Base-Backbone interact. energy: 0.625 local terms energy: -256.618641 where: bonds (distance) C4'-P energy: -79.001 bonds (distance) P-C4' energy: -57.860 flat angles C4'-P-C4' energy: -66.584 flat angles P-C4'-P energy: -36.994 tors. eta vs tors. theta energy: -16.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -370.132760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.132760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.132760 (E_RNA) where: Base-Base interactions energy: -166.548 where: short stacking energy: -125.749 Base-Backbone interact. energy: 2.679 local terms energy: -206.263629 where: bonds (distance) C4'-P energy: -60.299 bonds (distance) P-C4' energy: -56.090 flat angles C4'-P-C4' energy: -41.057 flat angles P-C4'-P energy: -43.965 tors. eta vs tors. theta energy: -4.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1210.648797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.648797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.648797 (E_RNA) where: Base-Base interactions energy: -803.248 where: short stacking energy: -368.547 Base-Backbone interact. energy: -1.425 local terms energy: -405.975930 where: bonds (distance) C4'-P energy: -80.617 bonds (distance) P-C4' energy: -79.404 flat angles C4'-P-C4' energy: -88.748 flat angles P-C4'-P energy: -59.365 tors. eta vs tors. theta energy: -97.842 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: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1120.676815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.676815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.676815 (E_RNA) where: Base-Base interactions energy: -741.934 where: short stacking energy: -315.714 Base-Backbone interact. energy: -3.976 local terms energy: -374.766774 where: bonds (distance) C4'-P energy: -85.465 bonds (distance) P-C4' energy: -78.573 flat angles C4'-P-C4' energy: -81.217 flat angles P-C4'-P energy: -46.356 tors. eta vs tors. theta energy: -83.156 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: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -926.504440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.504440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.504440 (E_RNA) where: Base-Base interactions energy: -592.576 where: short stacking energy: -298.790 Base-Backbone interact. energy: -2.774 local terms energy: -331.154611 where: bonds (distance) C4'-P energy: -77.195 bonds (distance) P-C4' energy: -69.631 flat angles C4'-P-C4' energy: -70.750 flat angles P-C4'-P energy: -41.939 tors. eta vs tors. theta energy: -71.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -882.275724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.275724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.275724 (E_RNA) where: Base-Base interactions energy: -534.937 where: short stacking energy: -288.894 Base-Backbone interact. energy: -0.112 local terms energy: -347.226388 where: bonds (distance) C4'-P energy: -64.508 bonds (distance) P-C4' energy: -75.695 flat angles C4'-P-C4' energy: -86.480 flat angles P-C4'-P energy: -40.946 tors. eta vs tors. theta energy: -79.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -854.003034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.003034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.003034 (E_RNA) where: Base-Base interactions energy: -524.959 where: short stacking energy: -268.562 Base-Backbone interact. energy: 0.372 local terms energy: -329.415742 where: bonds (distance) C4'-P energy: -68.018 bonds (distance) P-C4' energy: -71.917 flat angles C4'-P-C4' energy: -68.401 flat angles P-C4'-P energy: -52.003 tors. eta vs tors. theta energy: -69.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -790.918571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.918571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.918571 (E_RNA) where: Base-Base interactions energy: -485.852 where: short stacking energy: -218.267 Base-Backbone interact. energy: -1.821 local terms energy: -303.245575 where: bonds (distance) C4'-P energy: -66.663 bonds (distance) P-C4' energy: -64.931 flat angles C4'-P-C4' energy: -74.664 flat angles P-C4'-P energy: -48.306 tors. eta vs tors. theta energy: -48.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -633.699731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.699731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.699731 (E_RNA) where: Base-Base interactions energy: -365.529 where: short stacking energy: -178.373 Base-Backbone interact. energy: -0.786 local terms energy: -267.385400 where: bonds (distance) C4'-P energy: -77.200 bonds (distance) P-C4' energy: -57.425 flat angles C4'-P-C4' energy: -70.539 flat angles P-C4'-P energy: -38.327 tors. eta vs tors. theta energy: -23.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -442.564716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.564716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.564716 (E_RNA) where: Base-Base interactions energy: -199.179 where: short stacking energy: -148.374 Base-Backbone interact. energy: -1.032 local terms energy: -242.354079 where: bonds (distance) C4'-P energy: -55.703 bonds (distance) P-C4' energy: -67.206 flat angles C4'-P-C4' energy: -70.288 flat angles P-C4'-P energy: -36.576 tors. eta vs tors. theta energy: -12.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -445.161599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.161599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.161599 (E_RNA) where: Base-Base interactions energy: -220.363 where: short stacking energy: -127.048 Base-Backbone interact. energy: 0.586 local terms energy: -225.384624 where: bonds (distance) C4'-P energy: -76.988 bonds (distance) P-C4' energy: -55.892 flat angles C4'-P-C4' energy: -57.823 flat angles P-C4'-P energy: -35.244 tors. eta vs tors. theta energy: 0.561 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: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -384.123615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.123615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.123615 (E_RNA) where: Base-Base interactions energy: -162.442 where: short stacking energy: -120.726 Base-Backbone interact. energy: -1.909 local terms energy: -219.773291 where: bonds (distance) C4'-P energy: -69.256 bonds (distance) P-C4' energy: -78.902 flat angles C4'-P-C4' energy: -46.092 flat angles P-C4'-P energy: -17.371 tors. eta vs tors. theta energy: -8.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1189.372422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.372422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.372422 (E_RNA) where: Base-Base interactions energy: -784.455 where: short stacking energy: -357.903 Base-Backbone interact. energy: -0.956 local terms energy: -403.961452 where: bonds (distance) C4'-P energy: -73.092 bonds (distance) P-C4' energy: -82.330 flat angles C4'-P-C4' energy: -95.004 flat angles P-C4'-P energy: -66.012 tors. eta vs tors. theta energy: -87.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1143.677736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.677736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.677736 (E_RNA) where: Base-Base interactions energy: -743.934 where: short stacking energy: -347.169 Base-Backbone interact. energy: -3.740 local terms energy: -396.002988 where: bonds (distance) C4'-P energy: -86.183 bonds (distance) P-C4' energy: -81.063 flat angles C4'-P-C4' energy: -73.760 flat angles P-C4'-P energy: -59.433 tors. eta vs tors. theta energy: -95.565 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: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -958.698212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.698212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.698212 (E_RNA) where: Base-Base interactions energy: -609.774 where: short stacking energy: -303.905 Base-Backbone interact. energy: 0.024 local terms energy: -348.947721 where: bonds (distance) C4'-P energy: -80.530 bonds (distance) P-C4' energy: -71.416 flat angles C4'-P-C4' energy: -70.737 flat angles P-C4'-P energy: -53.399 tors. eta vs tors. theta energy: -72.866 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: 2 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -922.449020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.449020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.449020 (E_RNA) where: Base-Base interactions energy: -550.741 where: short stacking energy: -302.419 Base-Backbone interact. energy: -1.566 local terms energy: -370.142230 where: bonds (distance) C4'-P energy: -68.759 bonds (distance) P-C4' energy: -86.572 flat angles C4'-P-C4' energy: -86.565 flat angles P-C4'-P energy: -50.570 tors. eta vs tors. theta energy: -77.675 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: 5, replica: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -891.221222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.221222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.221222 (E_RNA) where: Base-Base interactions energy: -542.796 where: short stacking energy: -293.532 Base-Backbone interact. energy: -0.944 local terms energy: -347.481026 where: bonds (distance) C4'-P energy: -74.910 bonds (distance) P-C4' energy: -68.576 flat angles C4'-P-C4' energy: -84.240 flat angles P-C4'-P energy: -53.566 tors. eta vs tors. theta energy: -66.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -758.369463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.369463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.369463 (E_RNA) where: Base-Base interactions energy: -483.202 where: short stacking energy: -230.963 Base-Backbone interact. energy: 1.367 local terms energy: -276.534536 where: bonds (distance) C4'-P energy: -63.707 bonds (distance) P-C4' energy: -58.588 flat angles C4'-P-C4' energy: -78.433 flat angles P-C4'-P energy: -33.978 tors. eta vs tors. theta energy: -41.829 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: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -635.049353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.049353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.049353 (E_RNA) where: Base-Base interactions energy: -361.801 where: short stacking energy: -186.296 Base-Backbone interact. energy: -2.281 local terms energy: -270.967925 where: bonds (distance) C4'-P energy: -63.150 bonds (distance) P-C4' energy: -66.308 flat angles C4'-P-C4' energy: -72.755 flat angles P-C4'-P energy: -44.755 tors. eta vs tors. theta energy: -23.999 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: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -440.921818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.921818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.921818 (E_RNA) where: Base-Base interactions energy: -208.388 where: short stacking energy: -143.730 Base-Backbone interact. energy: -2.110 local terms energy: -230.423789 where: bonds (distance) C4'-P energy: -53.180 bonds (distance) P-C4' energy: -74.318 flat angles C4'-P-C4' energy: -60.711 flat angles P-C4'-P energy: -33.528 tors. eta vs tors. theta energy: -8.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -455.245482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.245482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.245482 (E_RNA) where: Base-Base interactions energy: -214.725 where: short stacking energy: -130.268 Base-Backbone interact. energy: 0.269 local terms energy: -240.790152 where: bonds (distance) C4'-P energy: -70.335 bonds (distance) P-C4' energy: -71.403 flat angles C4'-P-C4' energy: -54.814 flat angles P-C4'-P energy: -39.353 tors. eta vs tors. theta energy: -4.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -372.507775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.507775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.507775 (E_RNA) where: Base-Base interactions energy: -175.259 where: short stacking energy: -112.133 Base-Backbone interact. energy: 1.929 local terms energy: -199.177590 where: bonds (distance) C4'-P energy: -62.601 bonds (distance) P-C4' energy: -69.589 flat angles C4'-P-C4' energy: -57.499 flat angles P-C4'-P energy: -22.676 tors. eta vs tors. theta energy: 13.188 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: 4 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1165.521629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.521629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.521629 (E_RNA) where: Base-Base interactions energy: -761.068 where: short stacking energy: -365.839 Base-Backbone interact. energy: -3.503 local terms energy: -400.951077 where: bonds (distance) C4'-P energy: -78.043 bonds (distance) P-C4' energy: -75.523 flat angles C4'-P-C4' energy: -88.438 flat angles P-C4'-P energy: -65.807 tors. eta vs tors. theta energy: -93.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1182.427223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.427223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.427223 (E_RNA) where: Base-Base interactions energy: -772.886 where: short stacking energy: -348.306 Base-Backbone interact. energy: -2.908 local terms energy: -406.633350 where: bonds (distance) C4'-P energy: -73.599 bonds (distance) P-C4' energy: -80.457 flat angles C4'-P-C4' energy: -95.466 flat angles P-C4'-P energy: -59.478 tors. eta vs tors. theta energy: -97.634 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: 28 Temperature: 1.000000 Total energy: -976.946075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.946075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.946075 (E_RNA) where: Base-Base interactions energy: -595.041 where: short stacking energy: -335.438 Base-Backbone interact. energy: -1.584 local terms energy: -380.320854 where: bonds (distance) C4'-P energy: -80.260 bonds (distance) P-C4' energy: -75.140 flat angles C4'-P-C4' energy: -81.863 flat angles P-C4'-P energy: -55.375 tors. eta vs tors. theta energy: -87.683 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: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -870.614079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.614079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.614079 (E_RNA) where: Base-Base interactions energy: -536.975 where: short stacking energy: -287.165 Base-Backbone interact. energy: -2.877 local terms energy: -330.762298 where: bonds (distance) C4'-P energy: -74.825 bonds (distance) P-C4' energy: -66.496 flat angles C4'-P-C4' energy: -76.551 flat angles P-C4'-P energy: -43.212 tors. eta vs tors. theta energy: -69.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -805.385225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.385225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.385225 (E_RNA) where: Base-Base interactions energy: -485.232 where: short stacking energy: -254.099 Base-Backbone interact. energy: -0.634 local terms energy: -319.519533 where: bonds (distance) C4'-P energy: -64.261 bonds (distance) P-C4' energy: -73.822 flat angles C4'-P-C4' energy: -74.944 flat angles P-C4'-P energy: -51.521 tors. eta vs tors. theta energy: -54.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -707.388913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.388913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.388913 (E_RNA) where: Base-Base interactions energy: -428.323 where: short stacking energy: -201.965 Base-Backbone interact. energy: -1.805 local terms energy: -277.260716 where: bonds (distance) C4'-P energy: -65.402 bonds (distance) P-C4' energy: -76.752 flat angles C4'-P-C4' energy: -65.902 flat angles P-C4'-P energy: -36.833 tors. eta vs tors. theta energy: -32.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -663.394760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.394760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.394760 (E_RNA) where: Base-Base interactions energy: -375.726 where: short stacking energy: -202.547 Base-Backbone interact. energy: 1.344 local terms energy: -289.012883 where: bonds (distance) C4'-P energy: -68.710 bonds (distance) P-C4' energy: -71.277 flat angles C4'-P-C4' energy: -72.784 flat angles P-C4'-P energy: -41.650 tors. eta vs tors. theta energy: -34.591 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: 8 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -491.308781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.308781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.308781 (E_RNA) where: Base-Base interactions energy: -245.703 where: short stacking energy: -161.380 Base-Backbone interact. energy: -0.410 local terms energy: -245.195090 where: bonds (distance) C4'-P energy: -72.745 bonds (distance) P-C4' energy: -64.008 flat angles C4'-P-C4' energy: -64.868 flat angles P-C4'-P energy: -37.794 tors. eta vs tors. theta energy: -5.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -506.708518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.708518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.708518 (E_RNA) where: Base-Base interactions energy: -251.605 where: short stacking energy: -144.029 Base-Backbone interact. energy: 2.901 local terms energy: -258.004836 where: bonds (distance) C4'-P energy: -82.483 bonds (distance) P-C4' energy: -75.061 flat angles C4'-P-C4' energy: -56.220 flat angles P-C4'-P energy: -28.584 tors. eta vs tors. theta energy: -15.656 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: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -443.436785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.436785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.436785 (E_RNA) where: Base-Base interactions energy: -209.524 where: short stacking energy: -145.514 Base-Backbone interact. energy: 2.938 local terms energy: -236.850727 where: bonds (distance) C4'-P energy: -54.376 bonds (distance) P-C4' energy: -66.322 flat angles C4'-P-C4' energy: -65.449 flat angles P-C4'-P energy: -40.223 tors. eta vs tors. theta energy: -10.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1185.953473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.953473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.953473 (E_RNA) where: Base-Base interactions energy: -791.679 where: short stacking energy: -348.015 Base-Backbone interact. energy: -2.909 local terms energy: -391.366312 where: bonds (distance) C4'-P energy: -84.336 bonds (distance) P-C4' energy: -73.520 flat angles C4'-P-C4' energy: -79.634 flat angles P-C4'-P energy: -65.956 tors. eta vs tors. theta energy: -87.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1181.474933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.474933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.474933 (E_RNA) where: Base-Base interactions energy: -794.419 where: short stacking energy: -357.071 Base-Backbone interact. energy: 0.690 local terms energy: -387.745838 where: bonds (distance) C4'-P energy: -76.528 bonds (distance) P-C4' energy: -76.426 flat angles C4'-P-C4' energy: -80.952 flat angles P-C4'-P energy: -52.497 tors. eta vs tors. theta energy: -101.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -955.880773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.880773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.880773 (E_RNA) where: Base-Base interactions energy: -577.536 where: short stacking energy: -335.497 Base-Backbone interact. energy: -0.416 local terms energy: -377.928887 where: bonds (distance) C4'-P energy: -76.790 bonds (distance) P-C4' energy: -74.102 flat angles C4'-P-C4' energy: -81.460 flat angles P-C4'-P energy: -55.564 tors. eta vs tors. theta energy: -90.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -885.580735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.580735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.580735 (E_RNA) where: Base-Base interactions energy: -551.653 where: short stacking energy: -264.070 Base-Backbone interact. energy: 3.408 local terms energy: -337.336083 where: bonds (distance) C4'-P energy: -65.480 bonds (distance) P-C4' energy: -84.635 flat angles C4'-P-C4' energy: -79.311 flat angles P-C4'-P energy: -50.242 tors. eta vs tors. theta energy: -57.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -787.319250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.319250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.319250 (E_RNA) where: Base-Base interactions energy: -474.205 where: short stacking energy: -240.496 Base-Backbone interact. energy: 2.896 local terms energy: -316.010748 where: bonds (distance) C4'-P energy: -71.129 bonds (distance) P-C4' energy: -83.350 flat angles C4'-P-C4' energy: -76.408 flat angles P-C4'-P energy: -41.231 tors. eta vs tors. theta energy: -43.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -698.073051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.073051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.073051 (E_RNA) where: Base-Base interactions energy: -389.899 where: short stacking energy: -199.176 Base-Backbone interact. energy: 1.703 local terms energy: -309.876727 where: bonds (distance) C4'-P energy: -78.564 bonds (distance) P-C4' energy: -64.916 flat angles C4'-P-C4' energy: -77.771 flat angles P-C4'-P energy: -58.521 tors. eta vs tors. theta energy: -30.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -650.406775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.406775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.406775 (E_RNA) where: Base-Base interactions energy: -375.678 where: short stacking energy: -196.101 Base-Backbone interact. energy: -3.611 local terms energy: -271.117932 where: bonds (distance) C4'-P energy: -71.097 bonds (distance) P-C4' energy: -70.893 flat angles C4'-P-C4' energy: -81.845 flat angles P-C4'-P energy: -32.361 tors. eta vs tors. theta energy: -14.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -524.977370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.977370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.977370 (E_RNA) where: Base-Base interactions energy: -274.812 where: short stacking energy: -165.771 Base-Backbone interact. energy: 2.950 local terms energy: -253.114827 where: bonds (distance) C4'-P energy: -64.164 bonds (distance) P-C4' energy: -66.571 flat angles C4'-P-C4' energy: -64.613 flat angles P-C4'-P energy: -29.700 tors. eta vs tors. theta energy: -28.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -442.699640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.699640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.699640 (E_RNA) where: Base-Base interactions energy: -222.563 where: short stacking energy: -113.261 Base-Backbone interact. energy: 0.169 local terms energy: -220.305418 where: bonds (distance) C4'-P energy: -65.671 bonds (distance) P-C4' energy: -64.274 flat angles C4'-P-C4' energy: -53.000 flat angles P-C4'-P energy: -38.990 tors. eta vs tors. theta energy: 1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -476.034603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.034603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.034603 (E_RNA) where: Base-Base interactions energy: -219.285 where: short stacking energy: -145.489 Base-Backbone interact. energy: 4.351 local terms energy: -261.101179 where: bonds (distance) C4'-P energy: -71.565 bonds (distance) P-C4' energy: -70.217 flat angles C4'-P-C4' energy: -75.167 flat angles P-C4'-P energy: -32.879 tors. eta vs tors. theta energy: -11.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1225.475466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.475466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.475466 (E_RNA) where: Base-Base interactions energy: -812.339 where: short stacking energy: -392.619 Base-Backbone interact. energy: -1.502 local terms energy: -411.634792 where: bonds (distance) C4'-P energy: -71.036 bonds (distance) P-C4' energy: -83.340 flat angles C4'-P-C4' energy: -87.284 flat angles P-C4'-P energy: -61.498 tors. eta vs tors. theta energy: -108.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1167.133596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.133596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.133596 (E_RNA) where: Base-Base interactions energy: -777.203 where: short stacking energy: -341.311 Base-Backbone interact. energy: -2.108 local terms energy: -387.823271 where: bonds (distance) C4'-P energy: -86.269 bonds (distance) P-C4' energy: -67.499 flat angles C4'-P-C4' energy: -85.353 flat angles P-C4'-P energy: -53.291 tors. eta vs tors. theta energy: -95.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -981.748832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.748832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.748832 (E_RNA) where: Base-Base interactions energy: -590.804 where: short stacking energy: -309.995 Base-Backbone interact. energy: -2.777 local terms energy: -388.167774 where: bonds (distance) C4'-P energy: -83.613 bonds (distance) P-C4' energy: -84.006 flat angles C4'-P-C4' energy: -85.012 flat angles P-C4'-P energy: -46.483 tors. eta vs tors. theta energy: -89.055 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: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -906.331262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.331262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.331262 (E_RNA) where: Base-Base interactions energy: -565.716 where: short stacking energy: -262.891 Base-Backbone interact. energy: -4.162 local terms energy: -336.452486 where: bonds (distance) C4'-P energy: -77.312 bonds (distance) P-C4' energy: -78.308 flat angles C4'-P-C4' energy: -68.421 flat angles P-C4'-P energy: -49.498 tors. eta vs tors. theta energy: -62.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -791.764597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.764597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.764597 (E_RNA) where: Base-Base interactions energy: -471.824 where: short stacking energy: -247.369 Base-Backbone interact. energy: -1.264 local terms energy: -318.677151 where: bonds (distance) C4'-P energy: -67.588 bonds (distance) P-C4' energy: -68.788 flat angles C4'-P-C4' energy: -72.042 flat angles P-C4'-P energy: -49.166 tors. eta vs tors. theta energy: -61.094 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: 6 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -667.547332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.547332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.547332 (E_RNA) where: Base-Base interactions energy: -364.986 where: short stacking energy: -176.773 Base-Backbone interact. energy: 0.319 local terms energy: -302.880014 where: bonds (distance) C4'-P energy: -69.562 bonds (distance) P-C4' energy: -84.476 flat angles C4'-P-C4' energy: -80.348 flat angles P-C4'-P energy: -46.394 tors. eta vs tors. theta energy: -22.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -684.749078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.749078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.749078 (E_RNA) where: Base-Base interactions energy: -406.937 where: short stacking energy: -186.090 Base-Backbone interact. energy: 4.162 local terms energy: -281.974015 where: bonds (distance) C4'-P energy: -68.688 bonds (distance) P-C4' energy: -77.198 flat angles C4'-P-C4' energy: -68.600 flat angles P-C4'-P energy: -34.976 tors. eta vs tors. theta energy: -32.511 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: 30 Temperature: 1.250000 Total energy: -565.495761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.495761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.495761 (E_RNA) where: Base-Base interactions energy: -297.485 where: short stacking energy: -154.611 Base-Backbone interact. energy: 1.204 local terms energy: -269.214867 where: bonds (distance) C4'-P energy: -69.421 bonds (distance) P-C4' energy: -71.411 flat angles C4'-P-C4' energy: -59.274 flat angles P-C4'-P energy: -39.551 tors. eta vs tors. theta energy: -29.558 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: 30 Temperature: 1.300000 Total energy: -501.146173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.146173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.146173 (E_RNA) where: Base-Base interactions energy: -267.130 where: short stacking energy: -136.256 Base-Backbone interact. energy: -0.727 local terms energy: -233.289691 where: bonds (distance) C4'-P energy: -56.733 bonds (distance) P-C4' energy: -73.024 flat angles C4'-P-C4' energy: -59.459 flat angles P-C4'-P energy: -42.896 tors. eta vs tors. theta energy: -1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -356.787230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.787230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.787230 (E_RNA) where: Base-Base interactions energy: -141.714 where: short stacking energy: -122.027 Base-Backbone interact. energy: 4.996 local terms energy: -220.068733 where: bonds (distance) C4'-P energy: -60.045 bonds (distance) P-C4' energy: -71.710 flat angles C4'-P-C4' energy: -57.812 flat angles P-C4'-P energy: -32.174 tors. eta vs tors. theta energy: 1.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1231.301149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.301149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.301149 (E_RNA) where: Base-Base interactions energy: -822.217 where: short stacking energy: -391.781 Base-Backbone interact. energy: -0.488 local terms energy: -408.596059 where: bonds (distance) C4'-P energy: -82.450 bonds (distance) P-C4' energy: -75.349 flat angles C4'-P-C4' energy: -82.652 flat angles P-C4'-P energy: -56.512 tors. eta vs tors. theta energy: -111.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1145.836663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.836663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.836663 (E_RNA) where: Base-Base interactions energy: -751.491 where: short stacking energy: -339.287 Base-Backbone interact. energy: 0.251 local terms energy: -394.596308 where: bonds (distance) C4'-P energy: -78.550 bonds (distance) P-C4' energy: -78.573 flat angles C4'-P-C4' energy: -88.042 flat angles P-C4'-P energy: -55.276 tors. eta vs tors. theta energy: -94.154 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: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1002.125315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.125315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.125315 (E_RNA) where: Base-Base interactions energy: -637.199 where: short stacking energy: -310.409 Base-Backbone interact. energy: 0.447 local terms energy: -365.372766 where: bonds (distance) C4'-P energy: -74.944 bonds (distance) P-C4' energy: -82.128 flat angles C4'-P-C4' energy: -76.857 flat angles P-C4'-P energy: -49.839 tors. eta vs tors. theta energy: -81.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -890.908050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.908050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.908050 (E_RNA) where: Base-Base interactions energy: -545.608 where: short stacking energy: -248.071 Base-Backbone interact. energy: -1.180 local terms energy: -344.120131 where: bonds (distance) C4'-P energy: -87.313 bonds (distance) P-C4' energy: -85.832 flat angles C4'-P-C4' energy: -83.054 flat angles P-C4'-P energy: -39.114 tors. eta vs tors. theta energy: -48.807 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: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -732.094898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.094898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.094898 (E_RNA) where: Base-Base interactions energy: -395.209 where: short stacking energy: -224.482 Base-Backbone interact. energy: -0.280 local terms energy: -336.605694 where: bonds (distance) C4'-P energy: -69.951 bonds (distance) P-C4' energy: -78.336 flat angles C4'-P-C4' energy: -80.647 flat angles P-C4'-P energy: -49.693 tors. eta vs tors. theta energy: -57.978 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: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -691.457866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.457866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.457866 (E_RNA) where: Base-Base interactions energy: -378.684 where: short stacking energy: -213.449 Base-Backbone interact. energy: 1.537 local terms energy: -314.311007 where: bonds (distance) C4'-P energy: -73.105 bonds (distance) P-C4' energy: -81.302 flat angles C4'-P-C4' energy: -69.890 flat angles P-C4'-P energy: -46.329 tors. eta vs tors. theta energy: -43.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -674.163607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.163607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.163607 (E_RNA) where: Base-Base interactions energy: -397.524 where: short stacking energy: -186.230 Base-Backbone interact. energy: -1.622 local terms energy: -275.017334 where: bonds (distance) C4'-P energy: -59.929 bonds (distance) P-C4' energy: -79.735 flat angles C4'-P-C4' energy: -69.799 flat angles P-C4'-P energy: -44.599 tors. eta vs tors. theta energy: -20.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -552.159396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.159396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.159396 (E_RNA) where: Base-Base interactions energy: -290.170 where: short stacking energy: -175.446 Base-Backbone interact. energy: -1.928 local terms energy: -260.061365 where: bonds (distance) C4'-P energy: -66.752 bonds (distance) P-C4' energy: -66.789 flat angles C4'-P-C4' energy: -53.349 flat angles P-C4'-P energy: -41.441 tors. eta vs tors. theta energy: -31.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -567.379458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.379458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.379458 (E_RNA) where: Base-Base interactions energy: -302.648 where: short stacking energy: -170.970 Base-Backbone interact. energy: -0.696 local terms energy: -264.035422 where: bonds (distance) C4'-P energy: -67.698 bonds (distance) P-C4' energy: -71.893 flat angles C4'-P-C4' energy: -63.310 flat angles P-C4'-P energy: -35.987 tors. eta vs tors. theta energy: -25.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -330.492156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.492156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.492156 (E_RNA) where: Base-Base interactions energy: -138.409 where: short stacking energy: -110.008 Base-Backbone interact. energy: 1.688 local terms energy: -193.771604 where: bonds (distance) C4'-P energy: -52.899 bonds (distance) P-C4' energy: -60.323 flat angles C4'-P-C4' energy: -50.902 flat angles P-C4'-P energy: -25.971 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1231.665977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.665977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.665977 (E_RNA) where: Base-Base interactions energy: -808.919 where: short stacking energy: -363.742 Base-Backbone interact. energy: -1.338 local terms energy: -421.408861 where: bonds (distance) C4'-P energy: -80.825 bonds (distance) P-C4' energy: -78.790 flat angles C4'-P-C4' energy: -79.848 flat angles P-C4'-P energy: -71.580 tors. eta vs tors. theta energy: -110.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1196.998995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.998995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.998995 (E_RNA) where: Base-Base interactions energy: -809.400 where: short stacking energy: -354.117 Base-Backbone interact. energy: -1.669 local terms energy: -385.929405 where: bonds (distance) C4'-P energy: -81.988 bonds (distance) P-C4' energy: -61.255 flat angles C4'-P-C4' energy: -82.858 flat angles P-C4'-P energy: -56.035 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: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1016.140340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.140340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.140340 (E_RNA) where: Base-Base interactions energy: -651.595 where: short stacking energy: -303.350 Base-Backbone interact. energy: -1.219 local terms energy: -363.326362 where: bonds (distance) C4'-P energy: -79.775 bonds (distance) P-C4' energy: -85.880 flat angles C4'-P-C4' energy: -68.047 flat angles P-C4'-P energy: -53.209 tors. eta vs tors. theta energy: -76.414 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: 4, replica: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -896.888524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.888524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.888524 (E_RNA) where: Base-Base interactions energy: -555.629 where: short stacking energy: -264.476 Base-Backbone interact. energy: -2.246 local terms energy: -339.014337 where: bonds (distance) C4'-P energy: -77.321 bonds (distance) P-C4' energy: -68.991 flat angles C4'-P-C4' energy: -77.794 flat angles P-C4'-P energy: -56.862 tors. eta vs tors. theta energy: -58.047 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: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -789.732528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.732528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.732528 (E_RNA) where: Base-Base interactions energy: -445.567 where: short stacking energy: -237.717 Base-Backbone interact. energy: 0.232 local terms energy: -344.397911 where: bonds (distance) C4'-P energy: -76.862 bonds (distance) P-C4' energy: -81.100 flat angles C4'-P-C4' energy: -81.249 flat angles P-C4'-P energy: -56.021 tors. eta vs tors. theta energy: -49.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -712.127876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.127876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.127876 (E_RNA) where: Base-Base interactions energy: -409.586 where: short stacking energy: -233.111 Base-Backbone interact. energy: -1.607 local terms energy: -300.934615 where: bonds (distance) C4'-P energy: -65.825 bonds (distance) P-C4' energy: -67.733 flat angles C4'-P-C4' energy: -73.100 flat angles P-C4'-P energy: -46.085 tors. eta vs tors. theta energy: -48.192 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: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -600.840798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.840798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.840798 (E_RNA) where: Base-Base interactions energy: -342.952 where: short stacking energy: -192.390 Base-Backbone interact. energy: -1.074 local terms energy: -256.815040 where: bonds (distance) C4'-P energy: -58.697 bonds (distance) P-C4' energy: -83.133 flat angles C4'-P-C4' energy: -50.143 flat angles P-C4'-P energy: -48.651 tors. eta vs tors. theta energy: -16.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -531.063152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.063152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.063152 (E_RNA) where: Base-Base interactions energy: -276.914 where: short stacking energy: -155.485 Base-Backbone interact. energy: 0.183 local terms energy: -254.332504 where: bonds (distance) C4'-P energy: -67.479 bonds (distance) P-C4' energy: -59.902 flat angles C4'-P-C4' energy: -69.380 flat angles P-C4'-P energy: -41.314 tors. eta vs tors. theta energy: -16.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -548.124468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.124468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.124468 (E_RNA) where: Base-Base interactions energy: -303.026 where: short stacking energy: -170.229 Base-Backbone interact. energy: 0.187 local terms energy: -245.285692 where: bonds (distance) C4'-P energy: -64.589 bonds (distance) P-C4' energy: -70.102 flat angles C4'-P-C4' energy: -64.945 flat angles P-C4'-P energy: -37.717 tors. eta vs tors. theta energy: -7.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -334.380860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.380860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.380860 (E_RNA) where: Base-Base interactions energy: -117.067 where: short stacking energy: -78.669 Base-Backbone interact. energy: -1.520 local terms energy: -215.793894 where: bonds (distance) C4'-P energy: -75.694 bonds (distance) P-C4' energy: -64.399 flat angles C4'-P-C4' energy: -59.673 flat angles P-C4'-P energy: -33.559 tors. eta vs tors. theta energy: 17.531 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: 33 Temperature: 0.900000 Total energy: -1233.585671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.585671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.585671 (E_RNA) where: Base-Base interactions energy: -825.712 where: short stacking energy: -350.162 Base-Backbone interact. energy: -1.139 local terms energy: -406.735404 where: bonds (distance) C4'-P energy: -80.501 bonds (distance) P-C4' energy: -76.183 flat angles C4'-P-C4' energy: -84.658 flat angles P-C4'-P energy: -63.476 tors. eta vs tors. theta energy: -101.918 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: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1212.985922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.985922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.985922 (E_RNA) where: Base-Base interactions energy: -798.870 where: short stacking energy: -363.459 Base-Backbone interact. energy: -3.847 local terms energy: -410.268644 where: bonds (distance) C4'-P energy: -77.795 bonds (distance) P-C4' energy: -87.322 flat angles C4'-P-C4' energy: -85.096 flat angles P-C4'-P energy: -61.787 tors. eta vs tors. theta energy: -98.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1025.828691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.828691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.828691 (E_RNA) where: Base-Base interactions energy: -665.977 where: short stacking energy: -303.303 Base-Backbone interact. energy: -0.919 local terms energy: -358.932402 where: bonds (distance) C4'-P energy: -73.923 bonds (distance) P-C4' energy: -80.549 flat angles C4'-P-C4' energy: -83.809 flat angles P-C4'-P energy: -41.428 tors. eta vs tors. theta energy: -79.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -908.392134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.392134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.392134 (E_RNA) where: Base-Base interactions energy: -591.641 where: short stacking energy: -289.837 Base-Backbone interact. energy: 0.099 local terms energy: -316.849673 where: bonds (distance) C4'-P energy: -71.145 bonds (distance) P-C4' energy: -67.183 flat angles C4'-P-C4' energy: -75.205 flat angles P-C4'-P energy: -39.794 tors. eta vs tors. theta energy: -63.523 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: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -737.132694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.132694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.132694 (E_RNA) where: Base-Base interactions energy: -435.562 where: short stacking energy: -229.825 Base-Backbone interact. energy: -1.506 local terms energy: -300.064839 where: bonds (distance) C4'-P energy: -65.340 bonds (distance) P-C4' energy: -78.008 flat angles C4'-P-C4' energy: -61.534 flat angles P-C4'-P energy: -48.970 tors. eta vs tors. theta energy: -46.212 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: 6, replica: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -677.307821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.307821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.307821 (E_RNA) where: Base-Base interactions energy: -377.543 where: short stacking energy: -209.306 Base-Backbone interact. energy: -1.555 local terms energy: -298.209842 where: bonds (distance) C4'-P energy: -76.075 bonds (distance) P-C4' energy: -65.807 flat angles C4'-P-C4' energy: -74.802 flat angles P-C4'-P energy: -33.056 tors. eta vs tors. theta energy: -48.469 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: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -590.937260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.937260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.937260 (E_RNA) where: Base-Base interactions energy: -336.400 where: short stacking energy: -192.311 Base-Backbone interact. energy: 1.218 local terms energy: -255.755180 where: bonds (distance) C4'-P energy: -58.480 bonds (distance) P-C4' energy: -67.279 flat angles C4'-P-C4' energy: -63.404 flat angles P-C4'-P energy: -41.783 tors. eta vs tors. theta energy: -24.809 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: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -591.055528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.055528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.055528 (E_RNA) where: Base-Base interactions energy: -322.519 where: short stacking energy: -172.031 Base-Backbone interact. energy: -1.781 local terms energy: -266.754675 where: bonds (distance) C4'-P energy: -60.979 bonds (distance) P-C4' energy: -71.999 flat angles C4'-P-C4' energy: -64.155 flat angles P-C4'-P energy: -42.813 tors. eta vs tors. theta energy: -26.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -503.339700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.339700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.339700 (E_RNA) where: Base-Base interactions energy: -268.400 where: short stacking energy: -147.435 Base-Backbone interact. energy: -0.848 local terms energy: -234.091706 where: bonds (distance) C4'-P energy: -61.231 bonds (distance) P-C4' energy: -68.848 flat angles C4'-P-C4' energy: -60.265 flat angles P-C4'-P energy: -32.425 tors. eta vs tors. theta energy: -11.323 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: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -398.285753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.285753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.285753 (E_RNA) where: Base-Base interactions energy: -191.427 where: short stacking energy: -120.197 Base-Backbone interact. energy: -1.460 local terms energy: -205.398702 where: bonds (distance) C4'-P energy: -55.798 bonds (distance) P-C4' energy: -62.771 flat angles C4'-P-C4' energy: -54.159 flat angles P-C4'-P energy: -37.362 tors. eta vs tors. theta energy: 4.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1252.320022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.320022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.320022 (E_RNA) where: Base-Base interactions energy: -845.379 where: short stacking energy: -345.540 Base-Backbone interact. energy: -1.840 local terms energy: -405.100977 where: bonds (distance) C4'-P energy: -84.730 bonds (distance) P-C4' energy: -79.849 flat angles C4'-P-C4' energy: -82.059 flat angles P-C4'-P energy: -57.689 tors. eta vs tors. theta energy: -100.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1192.828318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.828318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.828318 (E_RNA) where: Base-Base interactions energy: -780.156 where: short stacking energy: -371.309 Base-Backbone interact. energy: -1.096 local terms energy: -411.575867 where: bonds (distance) C4'-P energy: -83.795 bonds (distance) P-C4' energy: -75.232 flat angles C4'-P-C4' energy: -90.305 flat angles P-C4'-P energy: -54.637 tors. eta vs tors. theta energy: -107.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1054.309203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.309203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.309203 (E_RNA) where: Base-Base interactions energy: -704.451 where: short stacking energy: -310.067 Base-Backbone interact. energy: -1.414 local terms energy: -348.444357 where: bonds (distance) C4'-P energy: -70.652 bonds (distance) P-C4' energy: -71.103 flat angles C4'-P-C4' energy: -76.332 flat angles P-C4'-P energy: -57.478 tors. eta vs tors. theta energy: -72.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -895.262955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.262955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.262955 (E_RNA) where: Base-Base interactions energy: -561.924 where: short stacking energy: -271.653 Base-Backbone interact. energy: -3.967 local terms energy: -329.372375 where: bonds (distance) C4'-P energy: -83.147 bonds (distance) P-C4' energy: -78.285 flat angles C4'-P-C4' energy: -67.211 flat angles P-C4'-P energy: -47.525 tors. eta vs tors. theta energy: -53.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -754.870940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.870940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.870940 (E_RNA) where: Base-Base interactions energy: -456.440 where: short stacking energy: -266.114 Base-Backbone interact. energy: -1.609 local terms energy: -296.822131 where: bonds (distance) C4'-P energy: -70.153 bonds (distance) P-C4' energy: -72.135 flat angles C4'-P-C4' energy: -63.539 flat angles P-C4'-P energy: -43.036 tors. eta vs tors. theta energy: -47.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -698.769647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.769647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.769647 (E_RNA) where: Base-Base interactions energy: -394.283 where: short stacking energy: -222.288 Base-Backbone interact. energy: -1.072 local terms energy: -303.414779 where: bonds (distance) C4'-P energy: -73.720 bonds (distance) P-C4' energy: -70.223 flat angles C4'-P-C4' energy: -69.964 flat angles P-C4'-P energy: -39.627 tors. eta vs tors. theta energy: -49.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -616.028712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.028712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.028712 (E_RNA) where: Base-Base interactions energy: -340.415 where: short stacking energy: -175.065 Base-Backbone interact. energy: 1.088 local terms energy: -276.701619 where: bonds (distance) C4'-P energy: -66.982 bonds (distance) P-C4' energy: -67.503 flat angles C4'-P-C4' energy: -71.072 flat angles P-C4'-P energy: -51.101 tors. eta vs tors. theta energy: -20.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -586.358243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.358243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.358243 (E_RNA) where: Base-Base interactions energy: -301.317 where: short stacking energy: -168.193 Base-Backbone interact. energy: 0.803 local terms energy: -285.844587 where: bonds (distance) C4'-P energy: -73.858 bonds (distance) P-C4' energy: -72.733 flat angles C4'-P-C4' energy: -63.963 flat angles P-C4'-P energy: -41.017 tors. eta vs tors. theta energy: -34.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -448.707717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.707717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.707717 (E_RNA) where: Base-Base interactions energy: -209.275 where: short stacking energy: -141.416 Base-Backbone interact. energy: -0.909 local terms energy: -238.523978 where: bonds (distance) C4'-P energy: -62.552 bonds (distance) P-C4' energy: -68.432 flat angles C4'-P-C4' energy: -63.618 flat angles P-C4'-P energy: -45.510 tors. eta vs tors. theta energy: 1.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -420.793200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.793200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.793200 (E_RNA) where: Base-Base interactions energy: -184.076 where: short stacking energy: -126.131 Base-Backbone interact. energy: -1.780 local terms energy: -234.937449 where: bonds (distance) C4'-P energy: -68.768 bonds (distance) P-C4' energy: -70.750 flat angles C4'-P-C4' energy: -67.193 flat angles P-C4'-P energy: -28.195 tors. eta vs tors. theta energy: -0.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1243.387624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.387624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.387624 (E_RNA) where: Base-Base interactions energy: -846.389 where: short stacking energy: -357.712 Base-Backbone interact. energy: -0.693 local terms energy: -396.305911 where: bonds (distance) C4'-P energy: -86.117 bonds (distance) P-C4' energy: -74.342 flat angles C4'-P-C4' energy: -83.535 flat angles P-C4'-P energy: -59.683 tors. eta vs tors. theta energy: -92.629 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: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1208.986815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.986815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.986815 (E_RNA) where: Base-Base interactions energy: -817.577 where: short stacking energy: -362.579 Base-Backbone interact. energy: -4.175 local terms energy: -387.234998 where: bonds (distance) C4'-P energy: -82.778 bonds (distance) P-C4' energy: -72.838 flat angles C4'-P-C4' energy: -83.784 flat angles P-C4'-P energy: -51.573 tors. eta vs tors. theta energy: -96.261 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: 2 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1055.122680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.122680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.122680 (E_RNA) where: Base-Base interactions energy: -694.817 where: short stacking energy: -286.882 Base-Backbone interact. energy: -0.764 local terms energy: -359.542129 where: bonds (distance) C4'-P energy: -73.544 bonds (distance) P-C4' energy: -80.842 flat angles C4'-P-C4' energy: -70.899 flat angles P-C4'-P energy: -64.552 tors. eta vs tors. theta energy: -69.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -932.781501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.781501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.781501 (E_RNA) where: Base-Base interactions energy: -591.555 where: short stacking energy: -262.560 Base-Backbone interact. energy: 1.347 local terms energy: -342.573355 where: bonds (distance) C4'-P energy: -65.555 bonds (distance) P-C4' energy: -70.717 flat angles C4'-P-C4' energy: -77.956 flat angles P-C4'-P energy: -48.878 tors. eta vs tors. theta energy: -79.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -775.290729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.290729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.290729 (E_RNA) where: Base-Base interactions energy: -448.069 where: short stacking energy: -235.454 Base-Backbone interact. energy: -0.788 local terms energy: -326.433657 where: bonds (distance) C4'-P energy: -72.433 bonds (distance) P-C4' energy: -78.123 flat angles C4'-P-C4' energy: -79.010 flat angles P-C4'-P energy: -50.809 tors. eta vs tors. theta energy: -46.058 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: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -680.264097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.264097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.264097 (E_RNA) where: Base-Base interactions energy: -391.636 where: short stacking energy: -216.241 Base-Backbone interact. energy: 7.164 local terms energy: -295.792209 where: bonds (distance) C4'-P energy: -66.464 bonds (distance) P-C4' energy: -84.806 flat angles C4'-P-C4' energy: -69.243 flat angles P-C4'-P energy: -36.839 tors. eta vs tors. theta energy: -38.441 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: 9 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -639.375918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.375918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.375918 (E_RNA) where: Base-Base interactions energy: -368.012 where: short stacking energy: -209.298 Base-Backbone interact. energy: 1.602 local terms energy: -272.966006 where: bonds (distance) C4'-P energy: -70.983 bonds (distance) P-C4' energy: -62.765 flat angles C4'-P-C4' energy: -66.015 flat angles P-C4'-P energy: -48.610 tors. eta vs tors. theta energy: -24.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -682.872995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.872995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.872995 (E_RNA) where: Base-Base interactions energy: -398.508 where: short stacking energy: -206.584 Base-Backbone interact. energy: 0.299 local terms energy: -284.664153 where: bonds (distance) C4'-P energy: -73.612 bonds (distance) P-C4' energy: -68.494 flat angles C4'-P-C4' energy: -71.783 flat angles P-C4'-P energy: -50.073 tors. eta vs tors. theta energy: -20.703 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: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -437.530093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.530093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.530093 (E_RNA) where: Base-Base interactions energy: -211.503 where: short stacking energy: -124.127 Base-Backbone interact. energy: 5.017 local terms energy: -231.043979 where: bonds (distance) C4'-P energy: -68.328 bonds (distance) P-C4' energy: -68.531 flat angles C4'-P-C4' energy: -53.937 flat angles P-C4'-P energy: -42.612 tors. eta vs tors. theta energy: 2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -346.790914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.790914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.790914 (E_RNA) where: Base-Base interactions energy: -129.730 where: short stacking energy: -86.485 Base-Backbone interact. energy: 0.794 local terms energy: -217.854594 where: bonds (distance) C4'-P energy: -63.653 bonds (distance) P-C4' energy: -73.815 flat angles C4'-P-C4' energy: -63.472 flat angles P-C4'-P energy: -37.198 tors. eta vs tors. theta energy: 20.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1243.743989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.743989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.743989 (E_RNA) where: Base-Base interactions energy: -841.273 where: short stacking energy: -387.303 Base-Backbone interact. energy: 0.421 local terms energy: -402.892060 where: bonds (distance) C4'-P energy: -75.371 bonds (distance) P-C4' energy: -72.402 flat angles C4'-P-C4' energy: -86.078 flat angles P-C4'-P energy: -58.489 tors. eta vs tors. theta energy: -110.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1214.230597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.230597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.230597 (E_RNA) where: Base-Base interactions energy: -815.362 where: short stacking energy: -354.679 Base-Backbone interact. energy: 4.732 local terms energy: -403.601021 where: bonds (distance) C4'-P energy: -78.382 bonds (distance) P-C4' energy: -70.398 flat angles C4'-P-C4' energy: -87.805 flat angles P-C4'-P energy: -62.511 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: 3, replica: 2 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1066.876674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.876674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.876674 (E_RNA) where: Base-Base interactions energy: -720.935 where: short stacking energy: -332.096 Base-Backbone interact. energy: 2.223 local terms energy: -348.164467 where: bonds (distance) C4'-P energy: -72.130 bonds (distance) P-C4' energy: -70.681 flat angles C4'-P-C4' energy: -85.352 flat angles P-C4'-P energy: -42.458 tors. eta vs tors. theta energy: -77.543 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: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -944.200061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.200061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.200061 (E_RNA) where: Base-Base interactions energy: -603.896 where: short stacking energy: -311.317 Base-Backbone interact. energy: 2.547 local terms energy: -342.850969 where: bonds (distance) C4'-P energy: -70.856 bonds (distance) P-C4' energy: -76.527 flat angles C4'-P-C4' energy: -71.302 flat angles P-C4'-P energy: -57.053 tors. eta vs tors. theta energy: -67.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -729.846621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.846621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.846621 (E_RNA) where: Base-Base interactions energy: -412.432 where: short stacking energy: -214.737 Base-Backbone interact. energy: -0.861 local terms energy: -316.552950 where: bonds (distance) C4'-P energy: -68.768 bonds (distance) P-C4' energy: -77.142 flat angles C4'-P-C4' energy: -75.766 flat angles P-C4'-P energy: -55.811 tors. eta vs tors. theta energy: -39.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -646.382608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.382608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.382608 (E_RNA) where: Base-Base interactions energy: -359.864 where: short stacking energy: -191.654 Base-Backbone interact. energy: 3.034 local terms energy: -289.552416 where: bonds (distance) C4'-P energy: -71.443 bonds (distance) P-C4' energy: -79.064 flat angles C4'-P-C4' energy: -71.164 flat angles P-C4'-P energy: -46.087 tors. eta vs tors. theta energy: -21.795 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: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -759.417387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.417387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.417387 (E_RNA) where: Base-Base interactions energy: -430.390 where: short stacking energy: -226.541 Base-Backbone interact. energy: -1.161 local terms energy: -327.866591 where: bonds (distance) C4'-P energy: -74.898 bonds (distance) P-C4' energy: -68.548 flat angles C4'-P-C4' energy: -85.241 flat angles P-C4'-P energy: -49.865 tors. eta vs tors. theta energy: -49.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -618.403770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.403770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.403770 (E_RNA) where: Base-Base interactions energy: -321.230 where: short stacking energy: -184.652 Base-Backbone interact. energy: -0.698 local terms energy: -296.475739 where: bonds (distance) C4'-P energy: -62.768 bonds (distance) P-C4' energy: -77.588 flat angles C4'-P-C4' energy: -69.942 flat angles P-C4'-P energy: -52.455 tors. eta vs tors. theta energy: -33.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -443.842932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.842932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.842932 (E_RNA) where: Base-Base interactions energy: -206.426 where: short stacking energy: -157.451 Base-Backbone interact. energy: 1.818 local terms energy: -239.235031 where: bonds (distance) C4'-P energy: -67.167 bonds (distance) P-C4' energy: -69.164 flat angles C4'-P-C4' energy: -56.097 flat angles P-C4'-P energy: -37.676 tors. eta vs tors. theta energy: -9.130 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: 5 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -319.268845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.268845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.268845 (E_RNA) where: Base-Base interactions energy: -105.436 where: short stacking energy: -88.946 Base-Backbone interact. energy: -0.923 local terms energy: -212.910356 where: bonds (distance) C4'-P energy: -73.697 bonds (distance) P-C4' energy: -64.321 flat angles C4'-P-C4' energy: -54.200 flat angles P-C4'-P energy: -19.269 tors. eta vs tors. theta energy: -1.424 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: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1248.003856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.003856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.003856 (E_RNA) where: Base-Base interactions energy: -826.629 where: short stacking energy: -363.026 Base-Backbone interact. energy: -3.037 local terms energy: -418.337785 where: bonds (distance) C4'-P energy: -84.043 bonds (distance) P-C4' energy: -80.697 flat angles C4'-P-C4' energy: -83.815 flat angles P-C4'-P energy: -59.107 tors. eta vs tors. theta energy: -110.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1186.315941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.315941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.315941 (E_RNA) where: Base-Base interactions energy: -804.231 where: short stacking energy: -348.681 Base-Backbone interact. energy: -0.311 local terms energy: -381.773990 where: bonds (distance) C4'-P energy: -74.119 bonds (distance) P-C4' energy: -82.973 flat angles C4'-P-C4' energy: -78.249 flat angles P-C4'-P energy: -55.208 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: 3, replica: 2 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1038.148002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.148002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.148002 (E_RNA) where: Base-Base interactions energy: -662.255 where: short stacking energy: -319.214 Base-Backbone interact. energy: -4.496 local terms energy: -371.397140 where: bonds (distance) C4'-P energy: -67.863 bonds (distance) P-C4' energy: -68.857 flat angles C4'-P-C4' energy: -79.905 flat angles P-C4'-P energy: -64.604 tors. eta vs tors. theta energy: -90.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -928.223141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.223141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.223141 (E_RNA) where: Base-Base interactions energy: -572.591 where: short stacking energy: -295.562 Base-Backbone interact. energy: -1.655 local terms energy: -353.977279 where: bonds (distance) C4'-P energy: -73.607 bonds (distance) P-C4' energy: -79.167 flat angles C4'-P-C4' energy: -79.385 flat angles P-C4'-P energy: -53.005 tors. eta vs tors. theta energy: -68.814 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: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -737.146453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.146453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.146453 (E_RNA) where: Base-Base interactions energy: -410.804 where: short stacking energy: -231.460 Base-Backbone interact. energy: -1.556 local terms energy: -324.787193 where: bonds (distance) C4'-P energy: -71.254 bonds (distance) P-C4' energy: -76.090 flat angles C4'-P-C4' energy: -71.084 flat angles P-C4'-P energy: -52.775 tors. eta vs tors. theta energy: -53.584 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: 10 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -747.084721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.084721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.084721 (E_RNA) where: Base-Base interactions energy: -454.863 where: short stacking energy: -215.664 Base-Backbone interact. energy: 0.076 local terms energy: -292.298082 where: bonds (distance) C4'-P energy: -65.366 bonds (distance) P-C4' energy: -73.874 flat angles C4'-P-C4' energy: -71.081 flat angles P-C4'-P energy: -45.080 tors. eta vs tors. theta energy: -36.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -616.008760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.008760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.008760 (E_RNA) where: Base-Base interactions energy: -346.548 where: short stacking energy: -182.192 Base-Backbone interact. energy: 1.349 local terms energy: -270.809486 where: bonds (distance) C4'-P energy: -70.334 bonds (distance) P-C4' energy: -67.864 flat angles C4'-P-C4' energy: -64.575 flat angles P-C4'-P energy: -47.204 tors. eta vs tors. theta energy: -20.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -681.489243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.489243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.489243 (E_RNA) where: Base-Base interactions energy: -409.569 where: short stacking energy: -200.650 Base-Backbone interact. energy: 6.064 local terms energy: -277.984961 where: bonds (distance) C4'-P energy: -71.838 bonds (distance) P-C4' energy: -72.141 flat angles C4'-P-C4' energy: -70.174 flat angles P-C4'-P energy: -26.491 tors. eta vs tors. theta energy: -37.342 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: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -458.143705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.143705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.143705 (E_RNA) where: Base-Base interactions energy: -228.023 where: short stacking energy: -129.882 Base-Backbone interact. energy: -2.839 local terms energy: -227.281771 where: bonds (distance) C4'-P energy: -53.732 bonds (distance) P-C4' energy: -67.957 flat angles C4'-P-C4' energy: -66.539 flat angles P-C4'-P energy: -39.432 tors. eta vs tors. theta energy: 0.378 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: 5 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -321.045511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.045511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.045511 (E_RNA) where: Base-Base interactions energy: -101.283 where: short stacking energy: -97.936 Base-Backbone interact. energy: 0.832 local terms energy: -220.594346 where: bonds (distance) C4'-P energy: -50.447 bonds (distance) P-C4' energy: -73.875 flat angles C4'-P-C4' energy: -60.055 flat angles P-C4'-P energy: -42.923 tors. eta vs tors. theta energy: 6.706 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: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1232.454027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.454027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.454027 (E_RNA) where: Base-Base interactions energy: -827.654 where: short stacking energy: -359.049 Base-Backbone interact. energy: -1.552 local terms energy: -403.248896 where: bonds (distance) C4'-P energy: -76.971 bonds (distance) P-C4' energy: -77.220 flat angles C4'-P-C4' energy: -80.762 flat angles P-C4'-P energy: -65.353 tors. eta vs tors. theta energy: -102.942 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: 2, replica: 4 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1191.316199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.316199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.316199 (E_RNA) where: Base-Base interactions energy: -805.700 where: short stacking energy: -348.354 Base-Backbone interact. energy: -3.772 local terms energy: -381.844090 where: bonds (distance) C4'-P energy: -75.260 bonds (distance) P-C4' energy: -66.252 flat angles C4'-P-C4' energy: -84.561 flat angles P-C4'-P energy: -58.657 tors. eta vs tors. theta energy: -97.115 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: 38 Temperature: 1.000000 Total energy: -1084.765974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.765974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.765974 (E_RNA) where: Base-Base interactions energy: -717.980 where: short stacking energy: -344.880 Base-Backbone interact. energy: -1.180 local terms energy: -365.605960 where: bonds (distance) C4'-P energy: -59.365 bonds (distance) P-C4' energy: -75.218 flat angles C4'-P-C4' energy: -76.564 flat angles P-C4'-P energy: -69.957 tors. eta vs tors. theta energy: -84.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -913.484584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.484584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.484584 (E_RNA) where: Base-Base interactions energy: -567.457 where: short stacking energy: -275.923 Base-Backbone interact. energy: -1.747 local terms energy: -344.280506 where: bonds (distance) C4'-P energy: -66.237 bonds (distance) P-C4' energy: -76.353 flat angles C4'-P-C4' energy: -79.362 flat angles P-C4'-P energy: -55.558 tors. eta vs tors. theta energy: -66.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -839.421496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.421496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.421496 (E_RNA) where: Base-Base interactions energy: -531.515 where: short stacking energy: -255.768 Base-Backbone interact. energy: -2.359 local terms energy: -305.547309 where: bonds (distance) C4'-P energy: -73.221 bonds (distance) P-C4' energy: -68.045 flat angles C4'-P-C4' energy: -61.522 flat angles P-C4'-P energy: -44.241 tors. eta vs tors. theta energy: -58.518 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: 38 Temperature: 1.150000 Total energy: -711.302181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.302181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.302181 (E_RNA) where: Base-Base interactions energy: -415.711 where: short stacking energy: -235.074 Base-Backbone interact. energy: -3.705 local terms energy: -291.886094 where: bonds (distance) C4'-P energy: -64.367 bonds (distance) P-C4' energy: -84.404 flat angles C4'-P-C4' energy: -56.121 flat angles P-C4'-P energy: -49.572 tors. eta vs tors. theta energy: -37.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -679.290531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.290531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.290531 (E_RNA) where: Base-Base interactions energy: -389.139 where: short stacking energy: -223.818 Base-Backbone interact. energy: 4.686 local terms energy: -294.838060 where: bonds (distance) C4'-P energy: -65.485 bonds (distance) P-C4' energy: -65.406 flat angles C4'-P-C4' energy: -69.588 flat angles P-C4'-P energy: -49.686 tors. eta vs tors. theta energy: -44.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -505.322408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.322408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.322408 (E_RNA) where: Base-Base interactions energy: -259.941 where: short stacking energy: -148.692 Base-Backbone interact. energy: -1.412 local terms energy: -243.969382 where: bonds (distance) C4'-P energy: -61.656 bonds (distance) P-C4' energy: -60.965 flat angles C4'-P-C4' energy: -66.207 flat angles P-C4'-P energy: -39.084 tors. eta vs tors. theta energy: -16.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -423.830012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.830012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.830012 (E_RNA) where: Base-Base interactions energy: -196.482 where: short stacking energy: -114.530 Base-Backbone interact. energy: -2.032 local terms energy: -225.315778 where: bonds (distance) C4'-P energy: -65.280 bonds (distance) P-C4' energy: -70.725 flat angles C4'-P-C4' energy: -54.190 flat angles P-C4'-P energy: -42.773 tors. eta vs tors. theta energy: 7.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -322.248078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.248078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.248078 (E_RNA) where: Base-Base interactions energy: -148.534 where: short stacking energy: -106.994 Base-Backbone interact. energy: 4.358 local terms energy: -178.072341 where: bonds (distance) C4'-P energy: -57.496 bonds (distance) P-C4' energy: -75.119 flat angles C4'-P-C4' energy: -44.641 flat angles P-C4'-P energy: -14.774 tors. eta vs tors. theta energy: 13.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1251.553004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.553004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.553004 (E_RNA) where: Base-Base interactions energy: -854.472 where: short stacking energy: -361.534 Base-Backbone interact. energy: -3.031 local terms energy: -394.050506 where: bonds (distance) C4'-P energy: -74.643 bonds (distance) P-C4' energy: -69.804 flat angles C4'-P-C4' energy: -94.773 flat angles P-C4'-P energy: -51.064 tors. eta vs tors. theta energy: -103.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1196.281264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.281264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.281264 (E_RNA) where: Base-Base interactions energy: -797.723 where: short stacking energy: -365.988 Base-Backbone interact. energy: -2.804 local terms energy: -395.754078 where: bonds (distance) C4'-P energy: -72.314 bonds (distance) P-C4' energy: -82.355 flat angles C4'-P-C4' energy: -81.635 flat angles P-C4'-P energy: -59.174 tors. eta vs tors. theta energy: -100.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1095.886668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.886668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.886668 (E_RNA) where: Base-Base interactions energy: -703.478 where: short stacking energy: -327.369 Base-Backbone interact. energy: -2.252 local terms energy: -390.156158 where: bonds (distance) C4'-P energy: -81.986 bonds (distance) P-C4' energy: -80.737 flat angles C4'-P-C4' energy: -87.939 flat angles P-C4'-P energy: -51.409 tors. eta vs tors. theta energy: -88.085 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: 10 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -907.206178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.206178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.206178 (E_RNA) where: Base-Base interactions energy: -540.315 where: short stacking energy: -287.388 Base-Backbone interact. energy: -0.523 local terms energy: -366.368326 where: bonds (distance) C4'-P energy: -69.870 bonds (distance) P-C4' energy: -86.590 flat angles C4'-P-C4' energy: -85.801 flat angles P-C4'-P energy: -47.782 tors. eta vs tors. theta energy: -76.326 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: 5, replica: 3 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -871.290629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.290629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.290629 (E_RNA) where: Base-Base interactions energy: -539.393 where: short stacking energy: -273.480 Base-Backbone interact. energy: 9.485 local terms energy: -341.382673 where: bonds (distance) C4'-P energy: -67.920 bonds (distance) P-C4' energy: -73.803 flat angles C4'-P-C4' energy: -81.457 flat angles P-C4'-P energy: -50.904 tors. eta vs tors. theta energy: -67.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -741.545727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.545727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.545727 (E_RNA) where: Base-Base interactions energy: -441.852 where: short stacking energy: -224.057 Base-Backbone interact. energy: -1.441 local terms energy: -298.253638 where: bonds (distance) C4'-P energy: -73.943 bonds (distance) P-C4' energy: -82.838 flat angles C4'-P-C4' energy: -49.445 flat angles P-C4'-P energy: -53.572 tors. eta vs tors. theta energy: -38.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -674.951070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.951070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.951070 (E_RNA) where: Base-Base interactions energy: -365.570 where: short stacking energy: -201.479 Base-Backbone interact. energy: -0.764 local terms energy: -308.616413 where: bonds (distance) C4'-P energy: -80.659 bonds (distance) P-C4' energy: -71.321 flat angles C4'-P-C4' energy: -70.435 flat angles P-C4'-P energy: -49.682 tors. eta vs tors. theta energy: -36.519 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: 8, replica: 6 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -507.353727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.353727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.353727 (E_RNA) where: Base-Base interactions energy: -263.053 where: short stacking energy: -165.824 Base-Backbone interact. energy: 1.315 local terms energy: -245.616308 where: bonds (distance) C4'-P energy: -58.344 bonds (distance) P-C4' energy: -64.965 flat angles C4'-P-C4' energy: -72.041 flat angles P-C4'-P energy: -30.588 tors. eta vs tors. theta energy: -19.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -410.100515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.100515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.100515 (E_RNA) where: Base-Base interactions energy: -166.315 where: short stacking energy: -94.935 Base-Backbone interact. energy: 3.261 local terms energy: -247.046636 where: bonds (distance) C4'-P energy: -56.249 bonds (distance) P-C4' energy: -80.353 flat angles C4'-P-C4' energy: -71.015 flat angles P-C4'-P energy: -42.914 tors. eta vs tors. theta energy: 3.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -345.669670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.669670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.669670 (E_RNA) where: Base-Base interactions energy: -129.757 where: short stacking energy: -84.463 Base-Backbone interact. energy: 2.736 local terms energy: -218.649292 where: bonds (distance) C4'-P energy: -69.534 bonds (distance) P-C4' energy: -75.664 flat angles C4'-P-C4' energy: -46.873 flat angles P-C4'-P energy: -38.782 tors. eta vs tors. theta energy: 12.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1244.021962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.021962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.021962 (E_RNA) where: Base-Base interactions energy: -810.218 where: short stacking energy: -354.645 Base-Backbone interact. energy: -3.679 local terms energy: -430.124860 where: bonds (distance) C4'-P energy: -76.188 bonds (distance) P-C4' energy: -85.494 flat angles C4'-P-C4' energy: -97.285 flat angles P-C4'-P energy: -66.734 tors. eta vs tors. theta energy: -104.424 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: 2, replica: 4 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1227.752313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.752313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.752313 (E_RNA) where: Base-Base interactions energy: -823.691 where: short stacking energy: -356.658 Base-Backbone interact. energy: -2.942 local terms energy: -401.119744 where: bonds (distance) C4'-P energy: -83.878 bonds (distance) P-C4' energy: -73.873 flat angles C4'-P-C4' energy: -81.684 flat angles P-C4'-P energy: -61.751 tors. eta vs tors. theta energy: -99.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1067.720668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.720668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.720668 (E_RNA) where: Base-Base interactions energy: -699.640 where: short stacking energy: -315.386 Base-Backbone interact. energy: -3.062 local terms energy: -365.019280 where: bonds (distance) C4'-P energy: -71.813 bonds (distance) P-C4' energy: -81.276 flat angles C4'-P-C4' energy: -71.669 flat angles P-C4'-P energy: -58.499 tors. eta vs tors. theta energy: -81.761 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: 10 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1048.573424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.573424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.573424 (E_RNA) where: Base-Base interactions energy: -705.614 where: short stacking energy: -342.547 Base-Backbone interact. energy: -1.895 local terms energy: -341.064179 where: bonds (distance) C4'-P energy: -64.857 bonds (distance) P-C4' energy: -70.657 flat angles C4'-P-C4' energy: -75.093 flat angles P-C4'-P energy: -44.601 tors. eta vs tors. theta energy: -85.857 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: 3 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -896.982865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.982865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.982865 (E_RNA) where: Base-Base interactions energy: -534.109 where: short stacking energy: -269.804 Base-Backbone interact. energy: -4.193 local terms energy: -358.680897 where: bonds (distance) C4'-P energy: -73.353 bonds (distance) P-C4' energy: -81.055 flat angles C4'-P-C4' energy: -84.162 flat angles P-C4'-P energy: -55.954 tors. eta vs tors. theta energy: -64.158 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: 6, replica: 9 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -815.653960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.653960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.653960 (E_RNA) where: Base-Base interactions energy: -503.115 where: short stacking energy: -258.051 Base-Backbone interact. energy: 5.070 local terms energy: -317.608658 where: bonds (distance) C4'-P energy: -78.246 bonds (distance) P-C4' energy: -72.098 flat angles C4'-P-C4' energy: -64.659 flat angles P-C4'-P energy: -45.193 tors. eta vs tors. theta energy: -57.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -651.441898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.441898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.441898 (E_RNA) where: Base-Base interactions energy: -369.840 where: short stacking energy: -203.806 Base-Backbone interact. energy: 1.031 local terms energy: -282.632958 where: bonds (distance) C4'-P energy: -67.536 bonds (distance) P-C4' energy: -67.555 flat angles C4'-P-C4' energy: -66.642 flat angles P-C4'-P energy: -46.657 tors. eta vs tors. theta energy: -34.244 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: 8, replica: 6 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -526.198775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.198775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.198775 (E_RNA) where: Base-Base interactions energy: -285.671 where: short stacking energy: -176.037 Base-Backbone interact. energy: 1.278 local terms energy: -241.805624 where: bonds (distance) C4'-P energy: -58.365 bonds (distance) P-C4' energy: -67.274 flat angles C4'-P-C4' energy: -63.315 flat angles P-C4'-P energy: -39.370 tors. eta vs tors. theta energy: -13.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -415.372179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.372179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.372179 (E_RNA) where: Base-Base interactions energy: -205.053 where: short stacking energy: -126.251 Base-Backbone interact. energy: 3.363 local terms energy: -213.681676 where: bonds (distance) C4'-P energy: -60.219 bonds (distance) P-C4' energy: -73.161 flat angles C4'-P-C4' energy: -46.586 flat angles P-C4'-P energy: -32.324 tors. eta vs tors. theta energy: -1.391 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: 5 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -346.435696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.435696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.435696 (E_RNA) where: Base-Base interactions energy: -127.085 where: short stacking energy: -105.568 Base-Backbone interact. energy: -2.978 local terms energy: -216.373270 where: bonds (distance) C4'-P energy: -68.911 bonds (distance) P-C4' energy: -68.833 flat angles C4'-P-C4' energy: -55.318 flat angles P-C4'-P energy: -32.191 tors. eta vs tors. theta energy: 8.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1226.816629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.816629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.816629 (E_RNA) where: Base-Base interactions energy: -826.381 where: short stacking energy: -361.006 Base-Backbone interact. energy: -1.939 local terms energy: -398.496540 where: bonds (distance) C4'-P energy: -74.424 bonds (distance) P-C4' energy: -72.953 flat angles C4'-P-C4' energy: -88.804 flat angles P-C4'-P energy: -63.488 tors. eta vs tors. theta energy: -98.828 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: 4 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1216.477745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.477745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.477745 (E_RNA) where: Base-Base interactions energy: -805.117 where: short stacking energy: -347.123 Base-Backbone interact. energy: -3.296 local terms energy: -408.065398 where: bonds (distance) C4'-P energy: -80.772 bonds (distance) P-C4' energy: -73.461 flat angles C4'-P-C4' energy: -86.749 flat angles P-C4'-P energy: -62.949 tors. eta vs tors. theta energy: -104.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1064.388600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.388600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.388600 (E_RNA) where: Base-Base interactions energy: -711.538 where: short stacking energy: -311.253 Base-Backbone interact. energy: -0.369 local terms energy: -352.481661 where: bonds (distance) C4'-P energy: -74.623 bonds (distance) P-C4' energy: -71.470 flat angles C4'-P-C4' energy: -76.836 flat angles P-C4'-P energy: -46.261 tors. eta vs tors. theta energy: -83.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1022.555623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.555623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.555623 (E_RNA) where: Base-Base interactions energy: -663.638 where: short stacking energy: -291.864 Base-Backbone interact. energy: 1.009 local terms energy: -359.925901 where: bonds (distance) C4'-P energy: -63.019 bonds (distance) P-C4' energy: -89.911 flat angles C4'-P-C4' energy: -71.617 flat angles P-C4'-P energy: -57.879 tors. eta vs tors. theta energy: -77.499 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: 3 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -875.970464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.970464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.970464 (E_RNA) where: Base-Base interactions energy: -541.046 where: short stacking energy: -244.650 Base-Backbone interact. energy: -2.907 local terms energy: -332.017185 where: bonds (distance) C4'-P energy: -78.212 bonds (distance) P-C4' energy: -71.661 flat angles C4'-P-C4' energy: -70.065 flat angles P-C4'-P energy: -51.169 tors. eta vs tors. theta energy: -60.910 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: 9 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -813.955246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.955246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.955246 (E_RNA) where: Base-Base interactions energy: -496.323 where: short stacking energy: -231.949 Base-Backbone interact. energy: -1.023 local terms energy: -316.609297 where: bonds (distance) C4'-P energy: -67.508 bonds (distance) P-C4' energy: -83.390 flat angles C4'-P-C4' energy: -71.750 flat angles P-C4'-P energy: -43.565 tors. eta vs tors. theta energy: -50.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -655.214769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.214769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.214769 (E_RNA) where: Base-Base interactions energy: -355.855 where: short stacking energy: -202.573 Base-Backbone interact. energy: -1.478 local terms energy: -297.881418 where: bonds (distance) C4'-P energy: -71.949 bonds (distance) P-C4' energy: -72.973 flat angles C4'-P-C4' energy: -71.192 flat angles P-C4'-P energy: -36.018 tors. eta vs tors. theta energy: -45.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -499.130254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.130254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.130254 (E_RNA) where: Base-Base interactions energy: -236.417 where: short stacking energy: -137.251 Base-Backbone interact. energy: 3.677 local terms energy: -266.389661 where: bonds (distance) C4'-P energy: -65.914 bonds (distance) P-C4' energy: -79.231 flat angles C4'-P-C4' energy: -58.666 flat angles P-C4'-P energy: -50.491 tors. eta vs tors. theta energy: -12.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -420.993278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.993278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.993278 (E_RNA) where: Base-Base interactions energy: -177.540 where: short stacking energy: -112.305 Base-Backbone interact. energy: -2.389 local terms energy: -241.064330 where: bonds (distance) C4'-P energy: -63.755 bonds (distance) P-C4' energy: -61.676 flat angles C4'-P-C4' energy: -59.653 flat angles P-C4'-P energy: -50.413 tors. eta vs tors. theta energy: -5.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -337.338535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.338535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.338535 (E_RNA) where: Base-Base interactions energy: -121.535 where: short stacking energy: -94.689 Base-Backbone interact. energy: -1.972 local terms energy: -213.831313 where: bonds (distance) C4'-P energy: -64.492 bonds (distance) P-C4' energy: -66.322 flat angles C4'-P-C4' energy: -46.852 flat angles P-C4'-P energy: -40.406 tors. eta vs tors. theta energy: 4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1233.430096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.430096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.430096 (E_RNA) where: Base-Base interactions energy: -837.961 where: short stacking energy: -353.526 Base-Backbone interact. energy: -3.421 local terms energy: -392.048432 where: bonds (distance) C4'-P energy: -74.871 bonds (distance) P-C4' energy: -89.771 flat angles C4'-P-C4' energy: -84.497 flat angles P-C4'-P energy: -43.788 tors. eta vs tors. theta energy: -99.122 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: 4 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1191.519452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.519452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.519452 (E_RNA) where: Base-Base interactions energy: -777.741 where: short stacking energy: -376.385 Base-Backbone interact. energy: -2.935 local terms energy: -410.842999 where: bonds (distance) C4'-P energy: -73.173 bonds (distance) P-C4' energy: -76.984 flat angles C4'-P-C4' energy: -90.518 flat angles P-C4'-P energy: -62.384 tors. eta vs tors. theta energy: -107.785 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: 10 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1113.860528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.860528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.860528 (E_RNA) where: Base-Base interactions energy: -726.014 where: short stacking energy: -357.577 Base-Backbone interact. energy: 0.728 local terms energy: -388.575229 where: bonds (distance) C4'-P energy: -77.726 bonds (distance) P-C4' energy: -68.253 flat angles C4'-P-C4' energy: -84.790 flat angles P-C4'-P energy: -59.718 tors. eta vs tors. theta energy: -98.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -995.998547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.998547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.998547 (E_RNA) where: Base-Base interactions energy: -641.132 where: short stacking energy: -300.194 Base-Backbone interact. energy: -0.372 local terms energy: -354.494494 where: bonds (distance) C4'-P energy: -70.191 bonds (distance) P-C4' energy: -77.298 flat angles C4'-P-C4' energy: -79.900 flat angles P-C4'-P energy: -48.861 tors. eta vs tors. theta energy: -78.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -858.033348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.033348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.033348 (E_RNA) where: Base-Base interactions energy: -548.256 where: short stacking energy: -247.158 Base-Backbone interact. energy: -1.585 local terms energy: -308.192566 where: bonds (distance) C4'-P energy: -58.749 bonds (distance) P-C4' energy: -76.190 flat angles C4'-P-C4' energy: -83.790 flat angles P-C4'-P energy: -39.439 tors. eta vs tors. theta energy: -50.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -760.460719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.460719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.460719 (E_RNA) where: Base-Base interactions energy: -471.330 where: short stacking energy: -216.719 Base-Backbone interact. energy: -1.259 local terms energy: -287.872176 where: bonds (distance) C4'-P energy: -61.010 bonds (distance) P-C4' energy: -78.174 flat angles C4'-P-C4' energy: -74.324 flat angles P-C4'-P energy: -46.558 tors. eta vs tors. theta energy: -27.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -658.296442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.296442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.296442 (E_RNA) where: Base-Base interactions energy: -356.422 where: short stacking energy: -202.225 Base-Backbone interact. energy: -0.617 local terms energy: -301.257148 where: bonds (distance) C4'-P energy: -72.054 bonds (distance) P-C4' energy: -79.155 flat angles C4'-P-C4' energy: -69.511 flat angles P-C4'-P energy: -35.648 tors. eta vs tors. theta energy: -44.889 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: 6 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -515.983249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.983249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.983249 (E_RNA) where: Base-Base interactions energy: -259.030 where: short stacking energy: -176.457 Base-Backbone interact. energy: -0.855 local terms energy: -256.097545 where: bonds (distance) C4'-P energy: -77.434 bonds (distance) P-C4' energy: -60.314 flat angles C4'-P-C4' energy: -50.439 flat angles P-C4'-P energy: -41.227 tors. eta vs tors. theta energy: -26.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -439.151070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.151070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.151070 (E_RNA) where: Base-Base interactions energy: -184.752 where: short stacking energy: -128.416 Base-Backbone interact. energy: -2.114 local terms energy: -252.285144 where: bonds (distance) C4'-P energy: -60.815 bonds (distance) P-C4' energy: -75.805 flat angles C4'-P-C4' energy: -71.710 flat angles P-C4'-P energy: -38.259 tors. eta vs tors. theta energy: -5.696 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: 5 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -359.789842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.789842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.789842 (E_RNA) where: Base-Base interactions energy: -140.292 where: short stacking energy: -107.154 Base-Backbone interact. energy: 1.273 local terms energy: -220.770618 where: bonds (distance) C4'-P energy: -70.336 bonds (distance) P-C4' energy: -62.820 flat angles C4'-P-C4' energy: -49.575 flat angles P-C4'-P energy: -50.084 tors. eta vs tors. theta energy: 12.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1234.818499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.818499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.818499 (E_RNA) where: Base-Base interactions energy: -820.357 where: short stacking energy: -349.203 Base-Backbone interact. energy: -2.234 local terms energy: -412.227490 where: bonds (distance) C4'-P energy: -78.310 bonds (distance) P-C4' energy: -82.023 flat angles C4'-P-C4' energy: -89.138 flat angles P-C4'-P energy: -65.616 tors. eta vs tors. theta energy: -97.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1153.614805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.614805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.614805 (E_RNA) where: Base-Base interactions energy: -771.032 where: short stacking energy: -339.981 Base-Backbone interact. energy: -1.888 local terms energy: -380.694926 where: bonds (distance) C4'-P energy: -75.515 bonds (distance) P-C4' energy: -83.270 flat angles C4'-P-C4' energy: -84.525 flat angles P-C4'-P energy: -51.040 tors. eta vs tors. theta energy: -86.344 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: 10 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1107.556290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.556290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.556290 (E_RNA) where: Base-Base interactions energy: -734.943 where: short stacking energy: -326.236 Base-Backbone interact. energy: -0.584 local terms energy: -372.029709 where: bonds (distance) C4'-P energy: -76.823 bonds (distance) P-C4' energy: -74.127 flat angles C4'-P-C4' energy: -87.410 flat angles P-C4'-P energy: -45.187 tors. eta vs tors. theta energy: -88.483 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: 4, replica: 2 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -956.505351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.505351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.505351 (E_RNA) where: Base-Base interactions energy: -609.958 where: short stacking energy: -274.995 Base-Backbone interact. energy: 0.150 local terms energy: -346.697036 where: bonds (distance) C4'-P energy: -68.672 bonds (distance) P-C4' energy: -76.449 flat angles C4'-P-C4' energy: -86.386 flat angles P-C4'-P energy: -44.609 tors. eta vs tors. theta energy: -70.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -872.797800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.797800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.797800 (E_RNA) where: Base-Base interactions energy: -549.734 where: short stacking energy: -288.908 Base-Backbone interact. energy: -3.232 local terms energy: -319.831579 where: bonds (distance) C4'-P energy: -71.410 bonds (distance) P-C4' energy: -65.869 flat angles C4'-P-C4' energy: -78.439 flat angles P-C4'-P energy: -43.195 tors. eta vs tors. theta energy: -60.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -765.721861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.721861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.721861 (E_RNA) where: Base-Base interactions energy: -452.884 where: short stacking energy: -227.762 Base-Backbone interact. energy: -0.196 local terms energy: -312.641468 where: bonds (distance) C4'-P energy: -72.932 bonds (distance) P-C4' energy: -71.536 flat angles C4'-P-C4' energy: -66.773 flat angles P-C4'-P energy: -44.723 tors. eta vs tors. theta energy: -56.678 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: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -597.660858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.660858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.660858 (E_RNA) where: Base-Base interactions energy: -331.505 where: short stacking energy: -206.464 Base-Backbone interact. energy: 1.841 local terms energy: -267.997450 where: bonds (distance) C4'-P energy: -58.732 bonds (distance) P-C4' energy: -71.196 flat angles C4'-P-C4' energy: -73.860 flat angles P-C4'-P energy: -33.011 tors. eta vs tors. theta energy: -31.199 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: 8, replica: 6 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -515.659327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.659327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.659327 (E_RNA) where: Base-Base interactions energy: -273.454 where: short stacking energy: -137.694 Base-Backbone interact. energy: -1.354 local terms energy: -240.851884 where: bonds (distance) C4'-P energy: -63.781 bonds (distance) P-C4' energy: -60.566 flat angles C4'-P-C4' energy: -68.096 flat angles P-C4'-P energy: -34.102 tors. eta vs tors. theta energy: -14.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -432.902774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.902774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.902774 (E_RNA) where: Base-Base interactions energy: -207.105 where: short stacking energy: -131.992 Base-Backbone interact. energy: -0.975 local terms energy: -224.822726 where: bonds (distance) C4'-P energy: -72.772 bonds (distance) P-C4' energy: -71.717 flat angles C4'-P-C4' energy: -57.717 flat angles P-C4'-P energy: -25.029 tors. eta vs tors. theta energy: 2.411 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: 5 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -329.591072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.591072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.591072 (E_RNA) where: Base-Base interactions energy: -117.114 where: short stacking energy: -99.609 Base-Backbone interact. energy: -0.136 local terms energy: -212.340968 where: bonds (distance) C4'-P energy: -61.046 bonds (distance) P-C4' energy: -59.888 flat angles C4'-P-C4' energy: -62.169 flat angles P-C4'-P energy: -37.858 tors. eta vs tors. theta energy: 8.621 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: 1, replica: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1215.058967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.058967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.058967 (E_RNA) where: Base-Base interactions energy: -807.509 where: short stacking energy: -366.577 Base-Backbone interact. energy: -1.040 local terms energy: -406.510776 where: bonds (distance) C4'-P energy: -84.456 bonds (distance) P-C4' energy: -75.118 flat angles C4'-P-C4' energy: -84.476 flat angles P-C4'-P energy: -60.927 tors. eta vs tors. theta energy: -101.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1227.593043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.593043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.593043 (E_RNA) where: Base-Base interactions energy: -846.660 where: short stacking energy: -350.850 Base-Backbone interact. energy: -1.174 local terms energy: -379.759788 where: bonds (distance) C4'-P energy: -75.622 bonds (distance) P-C4' energy: -67.418 flat angles C4'-P-C4' energy: -84.664 flat angles P-C4'-P energy: -58.119 tors. eta vs tors. theta energy: -93.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1140.631687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.631687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.631687 (E_RNA) where: Base-Base interactions energy: -766.280 where: short stacking energy: -368.743 Base-Backbone interact. energy: -1.220 local terms energy: -373.131126 where: bonds (distance) C4'-P energy: -73.853 bonds (distance) P-C4' energy: -63.236 flat angles C4'-P-C4' energy: -74.560 flat angles P-C4'-P energy: -62.781 tors. eta vs tors. theta energy: -98.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -941.100345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.100345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.100345 (E_RNA) where: Base-Base interactions energy: -582.907 where: short stacking energy: -269.942 Base-Backbone interact. energy: 1.232 local terms energy: -359.425517 where: bonds (distance) C4'-P energy: -73.011 bonds (distance) P-C4' energy: -77.819 flat angles C4'-P-C4' energy: -67.037 flat angles P-C4'-P energy: -56.824 tors. eta vs tors. theta energy: -84.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -916.211507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.211507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.211507 (E_RNA) where: Base-Base interactions energy: -587.550 where: short stacking energy: -272.149 Base-Backbone interact. energy: -4.593 local terms energy: -324.068458 where: bonds (distance) C4'-P energy: -72.749 bonds (distance) P-C4' energy: -64.578 flat angles C4'-P-C4' energy: -75.895 flat angles P-C4'-P energy: -57.066 tors. eta vs tors. theta energy: -53.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -770.673340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.673340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.673340 (E_RNA) where: Base-Base interactions energy: -461.608 where: short stacking energy: -249.944 Base-Backbone interact. energy: 0.829 local terms energy: -309.894909 where: bonds (distance) C4'-P energy: -64.306 bonds (distance) P-C4' energy: -72.215 flat angles C4'-P-C4' energy: -75.966 flat angles P-C4'-P energy: -54.742 tors. eta vs tors. theta energy: -42.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -564.448958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.448958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.448958 (E_RNA) where: Base-Base interactions energy: -278.747 where: short stacking energy: -164.850 Base-Backbone interact. energy: -1.137 local terms energy: -284.565394 where: bonds (distance) C4'-P energy: -72.521 bonds (distance) P-C4' energy: -70.440 flat angles C4'-P-C4' energy: -68.868 flat angles P-C4'-P energy: -48.457 tors. eta vs tors. theta energy: -24.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -582.495331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.495331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.495331 (E_RNA) where: Base-Base interactions energy: -289.781 where: short stacking energy: -191.965 Base-Backbone interact. energy: 3.261 local terms energy: -295.975125 where: bonds (distance) C4'-P energy: -71.408 bonds (distance) P-C4' energy: -76.227 flat angles C4'-P-C4' energy: -56.258 flat angles P-C4'-P energy: -55.919 tors. eta vs tors. theta energy: -36.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -470.146793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.146793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.146793 (E_RNA) where: Base-Base interactions energy: -245.699 where: short stacking energy: -137.866 Base-Backbone interact. energy: 0.093 local terms energy: -224.540606 where: bonds (distance) C4'-P energy: -56.723 bonds (distance) P-C4' energy: -82.902 flat angles C4'-P-C4' energy: -58.401 flat angles P-C4'-P energy: -28.645 tors. eta vs tors. theta energy: 2.131 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: 5 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -322.042629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.042629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.042629 (E_RNA) where: Base-Base interactions energy: -111.370 where: short stacking energy: -97.371 Base-Backbone interact. energy: -1.186 local terms energy: -209.486854 where: bonds (distance) C4'-P energy: -63.823 bonds (distance) P-C4' energy: -69.487 flat angles C4'-P-C4' energy: -57.176 flat angles P-C4'-P energy: -29.926 tors. eta vs tors. theta energy: 10.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1220.402041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.402041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.402041 (E_RNA) where: Base-Base interactions energy: -800.971 where: short stacking energy: -352.926 Base-Backbone interact. energy: -2.434 local terms energy: -416.997273 where: bonds (distance) C4'-P energy: -81.945 bonds (distance) P-C4' energy: -77.409 flat angles C4'-P-C4' energy: -87.329 flat angles P-C4'-P energy: -66.864 tors. eta vs tors. theta energy: -103.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1227.495621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.495621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.495621 (E_RNA) where: Base-Base interactions energy: -831.917 where: short stacking energy: -352.561 Base-Backbone interact. energy: -3.360 local terms energy: -392.218443 where: bonds (distance) C4'-P energy: -81.105 bonds (distance) P-C4' energy: -78.446 flat angles C4'-P-C4' energy: -89.048 flat angles P-C4'-P energy: -51.708 tors. eta vs tors. theta energy: -91.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1153.386120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.386120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.386120 (E_RNA) where: Base-Base interactions energy: -749.668 where: short stacking energy: -356.612 Base-Backbone interact. energy: -2.121 local terms energy: -401.598033 where: bonds (distance) C4'-P energy: -70.311 bonds (distance) P-C4' energy: -75.448 flat angles C4'-P-C4' energy: -90.762 flat angles P-C4'-P energy: -59.645 tors. eta vs tors. theta energy: -105.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -993.791836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.791836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.791836 (E_RNA) where: Base-Base interactions energy: -628.005 where: short stacking energy: -307.588 Base-Backbone interact. energy: -1.584 local terms energy: -364.202377 where: bonds (distance) C4'-P energy: -67.191 bonds (distance) P-C4' energy: -76.861 flat angles C4'-P-C4' energy: -85.291 flat angles P-C4'-P energy: -54.717 tors. eta vs tors. theta energy: -80.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -907.036308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.036308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.036308 (E_RNA) where: Base-Base interactions energy: -579.238 where: short stacking energy: -247.185 Base-Backbone interact. energy: -4.197 local terms energy: -323.601218 where: bonds (distance) C4'-P energy: -69.098 bonds (distance) P-C4' energy: -68.389 flat angles C4'-P-C4' energy: -74.532 flat angles P-C4'-P energy: -53.213 tors. eta vs tors. theta energy: -58.368 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: 6, replica: 9 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -851.499493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.499493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.499493 (E_RNA) where: Base-Base interactions energy: -516.181 where: short stacking energy: -268.529 Base-Backbone interact. energy: -1.394 local terms energy: -333.924605 where: bonds (distance) C4'-P energy: -71.888 bonds (distance) P-C4' energy: -66.778 flat angles C4'-P-C4' energy: -83.612 flat angles P-C4'-P energy: -42.206 tors. eta vs tors. theta energy: -69.441 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: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -605.033021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.033021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.033021 (E_RNA) where: Base-Base interactions energy: -326.283 where: short stacking energy: -186.142 Base-Backbone interact. energy: 2.585 local terms energy: -281.335464 where: bonds (distance) C4'-P energy: -61.829 bonds (distance) P-C4' energy: -77.490 flat angles C4'-P-C4' energy: -64.826 flat angles P-C4'-P energy: -45.102 tors. eta vs tors. theta energy: -32.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -557.899475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.899475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.899475 (E_RNA) where: Base-Base interactions energy: -299.557 where: short stacking energy: -179.512 Base-Backbone interact. energy: -0.026 local terms energy: -258.317202 where: bonds (distance) C4'-P energy: -61.808 bonds (distance) P-C4' energy: -70.260 flat angles C4'-P-C4' energy: -60.432 flat angles P-C4'-P energy: -36.873 tors. eta vs tors. theta energy: -28.944 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: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -439.402386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.402386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.402386 (E_RNA) where: Base-Base interactions energy: -214.817 where: short stacking energy: -140.740 Base-Backbone interact. energy: -2.635 local terms energy: -221.950103 where: bonds (distance) C4'-P energy: -53.617 bonds (distance) P-C4' energy: -65.651 flat angles C4'-P-C4' energy: -57.167 flat angles P-C4'-P energy: -48.044 tors. eta vs tors. theta energy: 2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -312.493016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.493016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.493016 (E_RNA) where: Base-Base interactions energy: -107.681 where: short stacking energy: -91.566 Base-Backbone interact. energy: 3.499 local terms energy: -208.310762 where: bonds (distance) C4'-P energy: -77.544 bonds (distance) P-C4' energy: -57.106 flat angles C4'-P-C4' energy: -58.444 flat angles P-C4'-P energy: -25.603 tors. eta vs tors. theta energy: 10.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1247.819401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.819401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.819401 (E_RNA) where: Base-Base interactions energy: -841.293 where: short stacking energy: -375.065 Base-Backbone interact. energy: -0.137 local terms energy: -406.389864 where: bonds (distance) C4'-P energy: -75.572 bonds (distance) P-C4' energy: -88.577 flat angles C4'-P-C4' energy: -86.575 flat angles P-C4'-P energy: -59.142 tors. eta vs tors. theta energy: -96.524 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: 2, replica: 4 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1157.309165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.309165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.309165 (E_RNA) where: Base-Base interactions energy: -767.471 where: short stacking energy: -352.597 Base-Backbone interact. energy: -2.983 local terms energy: -386.855288 where: bonds (distance) C4'-P energy: -75.123 bonds (distance) P-C4' energy: -84.775 flat angles C4'-P-C4' energy: -90.277 flat angles P-C4'-P energy: -49.775 tors. eta vs tors. theta energy: -86.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1105.968986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.968986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.968986 (E_RNA) where: Base-Base interactions energy: -704.421 where: short stacking energy: -333.934 Base-Backbone interact. energy: -0.245 local terms energy: -401.302803 where: bonds (distance) C4'-P energy: -76.022 bonds (distance) P-C4' energy: -86.545 flat angles C4'-P-C4' energy: -83.991 flat angles P-C4'-P energy: -62.435 tors. eta vs tors. theta energy: -92.309 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: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1044.611456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.611456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.611456 (E_RNA) where: Base-Base interactions energy: -666.585 where: short stacking energy: -316.759 Base-Backbone interact. energy: -3.113 local terms energy: -374.913663 where: bonds (distance) C4'-P energy: -81.554 bonds (distance) P-C4' energy: -76.917 flat angles C4'-P-C4' energy: -71.396 flat angles P-C4'-P energy: -48.427 tors. eta vs tors. theta energy: -96.620 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: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -922.291348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.291348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.291348 (E_RNA) where: Base-Base interactions energy: -587.189 where: short stacking energy: -286.303 Base-Backbone interact. energy: -1.817 local terms energy: -333.285523 where: bonds (distance) C4'-P energy: -69.310 bonds (distance) P-C4' energy: -79.912 flat angles C4'-P-C4' energy: -67.397 flat angles P-C4'-P energy: -55.171 tors. eta vs tors. theta energy: -61.497 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: 9 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -842.988418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.988418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.988418 (E_RNA) where: Base-Base interactions energy: -510.534 where: short stacking energy: -236.821 Base-Backbone interact. energy: -1.906 local terms energy: -330.549226 where: bonds (distance) C4'-P energy: -72.284 bonds (distance) P-C4' energy: -79.841 flat angles C4'-P-C4' energy: -78.888 flat angles P-C4'-P energy: -43.122 tors. eta vs tors. theta energy: -56.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -570.524395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.524395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.524395 (E_RNA) where: Base-Base interactions energy: -304.060 where: short stacking energy: -187.327 Base-Backbone interact. energy: -1.769 local terms energy: -264.695637 where: bonds (distance) C4'-P energy: -66.293 bonds (distance) P-C4' energy: -69.313 flat angles C4'-P-C4' energy: -64.959 flat angles P-C4'-P energy: -29.383 tors. eta vs tors. theta energy: -34.748 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: 1 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -579.175901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.175901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.175901 (E_RNA) where: Base-Base interactions energy: -315.317 where: short stacking energy: -170.318 Base-Backbone interact. energy: -1.072 local terms energy: -262.787390 where: bonds (distance) C4'-P energy: -58.464 bonds (distance) P-C4' energy: -76.802 flat angles C4'-P-C4' energy: -67.214 flat angles P-C4'-P energy: -33.376 tors. eta vs tors. theta energy: -26.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -431.039667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.039667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.039667 (E_RNA) where: Base-Base interactions energy: -196.044 where: short stacking energy: -125.606 Base-Backbone interact. energy: 0.069 local terms energy: -235.065250 where: bonds (distance) C4'-P energy: -65.747 bonds (distance) P-C4' energy: -72.091 flat angles C4'-P-C4' energy: -52.275 flat angles P-C4'-P energy: -38.519 tors. eta vs tors. theta energy: -6.433 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: 5 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -338.114610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.114610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.114610 (E_RNA) where: Base-Base interactions energy: -121.594 where: short stacking energy: -91.048 Base-Backbone interact. energy: -0.540 local terms energy: -215.980690 where: bonds (distance) C4'-P energy: -64.591 bonds (distance) P-C4' energy: -57.928 flat angles C4'-P-C4' energy: -72.589 flat angles P-C4'-P energy: -31.901 tors. eta vs tors. theta energy: 11.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1231.556523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.556523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.556523 (E_RNA) where: Base-Base interactions energy: -827.686 where: short stacking energy: -367.578 Base-Backbone interact. energy: -1.212 local terms energy: -402.659164 where: bonds (distance) C4'-P energy: -70.246 bonds (distance) P-C4' energy: -76.121 flat angles C4'-P-C4' energy: -93.629 flat angles P-C4'-P energy: -59.413 tors. eta vs tors. theta energy: -103.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1157.318103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.318103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.318103 (E_RNA) where: Base-Base interactions energy: -763.868 where: short stacking energy: -336.555 Base-Backbone interact. energy: -1.939 local terms energy: -391.510701 where: bonds (distance) C4'-P energy: -79.844 bonds (distance) P-C4' energy: -85.840 flat angles C4'-P-C4' energy: -85.075 flat angles P-C4'-P energy: -53.920 tors. eta vs tors. theta energy: -86.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1132.112025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.112025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.112025 (E_RNA) where: Base-Base interactions energy: -749.058 where: short stacking energy: -333.837 Base-Backbone interact. energy: -3.295 local terms energy: -379.758999 where: bonds (distance) C4'-P energy: -77.841 bonds (distance) P-C4' energy: -68.048 flat angles C4'-P-C4' energy: -92.524 flat angles P-C4'-P energy: -61.902 tors. eta vs tors. theta energy: -79.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1003.780840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.780840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.780840 (E_RNA) where: Base-Base interactions energy: -649.468 where: short stacking energy: -308.851 Base-Backbone interact. energy: 0.146 local terms energy: -354.459432 where: bonds (distance) C4'-P energy: -68.680 bonds (distance) P-C4' energy: -82.179 flat angles C4'-P-C4' energy: -80.420 flat angles P-C4'-P energy: -46.358 tors. eta vs tors. theta energy: -76.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -947.544098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.544098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.544098 (E_RNA) where: Base-Base interactions energy: -608.097 where: short stacking energy: -297.082 Base-Backbone interact. energy: -1.128 local terms energy: -338.318691 where: bonds (distance) C4'-P energy: -73.873 bonds (distance) P-C4' energy: -68.935 flat angles C4'-P-C4' energy: -74.834 flat angles P-C4'-P energy: -38.846 tors. eta vs tors. theta energy: -81.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -871.320123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.320123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.320123 (E_RNA) where: Base-Base interactions energy: -544.884 where: short stacking energy: -268.277 Base-Backbone interact. energy: -0.195 local terms energy: -326.241716 where: bonds (distance) C4'-P energy: -70.802 bonds (distance) P-C4' energy: -73.138 flat angles C4'-P-C4' energy: -71.386 flat angles P-C4'-P energy: -50.020 tors. eta vs tors. theta energy: -60.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -567.551753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.551753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.551753 (E_RNA) where: Base-Base interactions energy: -300.389 where: short stacking energy: -178.767 Base-Backbone interact. energy: 3.270 local terms energy: -270.432084 where: bonds (distance) C4'-P energy: -64.508 bonds (distance) P-C4' energy: -72.593 flat angles C4'-P-C4' energy: -68.660 flat angles P-C4'-P energy: -47.652 tors. eta vs tors. theta energy: -17.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -564.608030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.608030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.608030 (E_RNA) where: Base-Base interactions energy: -311.374 where: short stacking energy: -175.849 Base-Backbone interact. energy: -0.852 local terms energy: -252.382405 where: bonds (distance) C4'-P energy: -52.158 bonds (distance) P-C4' energy: -73.919 flat angles C4'-P-C4' energy: -60.447 flat angles P-C4'-P energy: -45.416 tors. eta vs tors. theta energy: -20.443 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: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -414.893981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.893981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.893981 (E_RNA) where: Base-Base interactions energy: -199.889 where: short stacking energy: -126.104 Base-Backbone interact. energy: -0.629 local terms energy: -214.375749 where: bonds (distance) C4'-P energy: -47.758 bonds (distance) P-C4' energy: -59.689 flat angles C4'-P-C4' energy: -71.884 flat angles P-C4'-P energy: -26.506 tors. eta vs tors. theta energy: -8.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -358.430932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.430932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.430932 (E_RNA) where: Base-Base interactions energy: -136.334 where: short stacking energy: -92.337 Base-Backbone interact. energy: 1.763 local terms energy: -223.860578 where: bonds (distance) C4'-P energy: -69.831 bonds (distance) P-C4' energy: -72.098 flat angles C4'-P-C4' energy: -63.271 flat angles P-C4'-P energy: -22.475 tors. eta vs tors. theta energy: 3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1245.279654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.279654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.279654 (E_RNA) where: Base-Base interactions energy: -834.986 where: short stacking energy: -393.200 Base-Backbone interact. energy: -1.220 local terms energy: -409.073747 where: bonds (distance) C4'-P energy: -85.685 bonds (distance) P-C4' energy: -78.544 flat angles C4'-P-C4' energy: -86.712 flat angles P-C4'-P energy: -53.011 tors. eta vs tors. theta energy: -105.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1146.717122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.717122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.717122 (E_RNA) where: Base-Base interactions energy: -745.071 where: short stacking energy: -327.011 Base-Backbone interact. energy: -2.454 local terms energy: -399.191878 where: bonds (distance) C4'-P energy: -82.115 bonds (distance) P-C4' energy: -87.664 flat angles C4'-P-C4' energy: -85.992 flat angles P-C4'-P energy: -50.660 tors. eta vs tors. theta energy: -92.761 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: 10 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1129.994578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.994578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.994578 (E_RNA) where: Base-Base interactions energy: -751.364 where: short stacking energy: -348.246 Base-Backbone interact. energy: 1.614 local terms energy: -380.244949 where: bonds (distance) C4'-P energy: -70.593 bonds (distance) P-C4' energy: -70.958 flat angles C4'-P-C4' energy: -82.622 flat angles P-C4'-P energy: -54.646 tors. eta vs tors. theta energy: -101.426 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: 2 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -987.106297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.106297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.106297 (E_RNA) where: Base-Base interactions energy: -640.214 where: short stacking energy: -280.178 Base-Backbone interact. energy: 2.140 local terms energy: -349.032282 where: bonds (distance) C4'-P energy: -74.967 bonds (distance) P-C4' energy: -80.724 flat angles C4'-P-C4' energy: -73.159 flat angles P-C4'-P energy: -48.642 tors. eta vs tors. theta energy: -71.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -918.514241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.514241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.514241 (E_RNA) where: Base-Base interactions energy: -571.156 where: short stacking energy: -281.194 Base-Backbone interact. energy: -2.801 local terms energy: -344.557536 where: bonds (distance) C4'-P energy: -68.440 bonds (distance) P-C4' energy: -76.639 flat angles C4'-P-C4' energy: -82.518 flat angles P-C4'-P energy: -50.627 tors. eta vs tors. theta energy: -66.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -910.345873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.345873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.345873 (E_RNA) where: Base-Base interactions energy: -582.651 where: short stacking energy: -268.844 Base-Backbone interact. energy: 0.609 local terms energy: -328.304615 where: bonds (distance) C4'-P energy: -63.583 bonds (distance) P-C4' energy: -77.953 flat angles C4'-P-C4' energy: -73.648 flat angles P-C4'-P energy: -49.155 tors. eta vs tors. theta energy: -63.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -607.282925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.282925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.282925 (E_RNA) where: Base-Base interactions energy: -323.150 where: short stacking energy: -184.578 Base-Backbone interact. energy: -1.045 local terms energy: -283.088235 where: bonds (distance) C4'-P energy: -64.226 bonds (distance) P-C4' energy: -61.803 flat angles C4'-P-C4' energy: -74.179 flat angles P-C4'-P energy: -44.882 tors. eta vs tors. theta energy: -37.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -597.012745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.012745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.012745 (E_RNA) where: Base-Base interactions energy: -316.716 where: short stacking energy: -176.094 Base-Backbone interact. energy: -0.498 local terms energy: -279.799352 where: bonds (distance) C4'-P energy: -65.729 bonds (distance) P-C4' energy: -66.890 flat angles C4'-P-C4' energy: -57.344 flat angles P-C4'-P energy: -51.211 tors. eta vs tors. theta energy: -38.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -413.929512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.929512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.929512 (E_RNA) where: Base-Base interactions energy: -195.569 where: short stacking energy: -106.797 Base-Backbone interact. energy: 4.785 local terms energy: -223.145324 where: bonds (distance) C4'-P energy: -65.054 bonds (distance) P-C4' energy: -72.056 flat angles C4'-P-C4' energy: -52.983 flat angles P-C4'-P energy: -42.609 tors. eta vs tors. theta energy: 9.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -363.710073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.710073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.710073 (E_RNA) where: Base-Base interactions energy: -156.935 where: short stacking energy: -116.101 Base-Backbone interact. energy: 0.077 local terms energy: -206.852181 where: bonds (distance) C4'-P energy: -67.083 bonds (distance) P-C4' energy: -57.320 flat angles C4'-P-C4' energy: -56.275 flat angles P-C4'-P energy: -29.602 tors. eta vs tors. theta energy: 3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1202.056222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.056222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.056222 (E_RNA) where: Base-Base interactions energy: -802.566 where: short stacking energy: -368.600 Base-Backbone interact. energy: -3.498 local terms energy: -395.992800 where: bonds (distance) C4'-P energy: -64.062 bonds (distance) P-C4' energy: -85.253 flat angles C4'-P-C4' energy: -85.763 flat angles P-C4'-P energy: -57.407 tors. eta vs tors. theta energy: -103.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1177.442265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.442265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.442265 (E_RNA) where: Base-Base interactions energy: -787.077 where: short stacking energy: -367.025 Base-Backbone interact. energy: 1.684 local terms energy: -392.049044 where: bonds (distance) C4'-P energy: -78.356 bonds (distance) P-C4' energy: -81.806 flat angles C4'-P-C4' energy: -79.169 flat angles P-C4'-P energy: -51.282 tors. eta vs tors. theta energy: -101.435 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: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1117.410571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.410571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.410571 (E_RNA) where: Base-Base interactions energy: -730.350 where: short stacking energy: -345.809 Base-Backbone interact. energy: 3.808 local terms energy: -390.868710 where: bonds (distance) C4'-P energy: -86.277 bonds (distance) P-C4' energy: -68.905 flat angles C4'-P-C4' energy: -90.917 flat angles P-C4'-P energy: -45.971 tors. eta vs tors. theta energy: -98.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -987.018938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.018938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.018938 (E_RNA) where: Base-Base interactions energy: -650.107 where: short stacking energy: -291.860 Base-Backbone interact. energy: -2.653 local terms energy: -334.258528 where: bonds (distance) C4'-P energy: -72.533 bonds (distance) P-C4' energy: -79.148 flat angles C4'-P-C4' energy: -63.789 flat angles P-C4'-P energy: -53.322 tors. eta vs tors. theta energy: -65.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -905.025951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.025951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.025951 (E_RNA) where: Base-Base interactions energy: -565.623 where: short stacking energy: -266.776 Base-Backbone interact. energy: -1.455 local terms energy: -337.947989 where: bonds (distance) C4'-P energy: -65.396 bonds (distance) P-C4' energy: -76.329 flat angles C4'-P-C4' energy: -85.005 flat angles P-C4'-P energy: -45.552 tors. eta vs tors. theta energy: -65.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -957.204916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.204916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.204916 (E_RNA) where: Base-Base interactions energy: -626.202 where: short stacking energy: -258.983 Base-Backbone interact. energy: 1.440 local terms energy: -332.442548 where: bonds (distance) C4'-P energy: -69.609 bonds (distance) P-C4' energy: -77.687 flat angles C4'-P-C4' energy: -75.014 flat angles P-C4'-P energy: -53.469 tors. eta vs tors. theta energy: -56.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -614.326347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.326347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.326347 (E_RNA) where: Base-Base interactions energy: -347.756 where: short stacking energy: -202.072 Base-Backbone interact. energy: -1.171 local terms energy: -265.399413 where: bonds (distance) C4'-P energy: -66.029 bonds (distance) P-C4' energy: -69.767 flat angles C4'-P-C4' energy: -65.194 flat angles P-C4'-P energy: -31.210 tors. eta vs tors. theta energy: -33.199 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: 8, replica: 1 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -594.007884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.007884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.007884 (E_RNA) where: Base-Base interactions energy: -314.350 where: short stacking energy: -175.641 Base-Backbone interact. energy: 1.265 local terms energy: -280.922950 where: bonds (distance) C4'-P energy: -69.681 bonds (distance) P-C4' energy: -86.750 flat angles C4'-P-C4' energy: -53.315 flat angles P-C4'-P energy: -50.121 tors. eta vs tors. theta energy: -21.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -425.555163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.555163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.555163 (E_RNA) where: Base-Base interactions energy: -182.126 where: short stacking energy: -115.320 Base-Backbone interact. energy: -3.347 local terms energy: -240.082411 where: bonds (distance) C4'-P energy: -69.097 bonds (distance) P-C4' energy: -67.280 flat angles C4'-P-C4' energy: -63.046 flat angles P-C4'-P energy: -44.822 tors. eta vs tors. theta energy: 4.163 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: 5 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -413.248041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.248041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.248041 (E_RNA) where: Base-Base interactions energy: -211.401 where: short stacking energy: -140.871 Base-Backbone interact. energy: -0.615 local terms energy: -201.232290 where: bonds (distance) C4'-P energy: -53.462 bonds (distance) P-C4' energy: -54.926 flat angles C4'-P-C4' energy: -59.373 flat angles P-C4'-P energy: -29.372 tors. eta vs tors. theta energy: -4.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1236.757309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.757309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.757309 (E_RNA) where: Base-Base interactions energy: -821.673 where: short stacking energy: -382.135 Base-Backbone interact. energy: -0.677 local terms energy: -414.406776 where: bonds (distance) C4'-P energy: -82.817 bonds (distance) P-C4' energy: -78.909 flat angles C4'-P-C4' energy: -90.155 flat angles P-C4'-P energy: -55.141 tors. eta vs tors. theta energy: -107.386 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: 10 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1158.574431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.574431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.574431 (E_RNA) where: Base-Base interactions energy: -758.017 where: short stacking energy: -362.054 Base-Backbone interact. energy: -1.274 local terms energy: -399.282929 where: bonds (distance) C4'-P energy: -78.345 bonds (distance) P-C4' energy: -83.605 flat angles C4'-P-C4' energy: -82.712 flat angles P-C4'-P energy: -55.827 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: 3, replica: 4 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1086.834261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.834261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.834261 (E_RNA) where: Base-Base interactions energy: -709.193 where: short stacking energy: -339.714 Base-Backbone interact. energy: -1.728 local terms energy: -375.913362 where: bonds (distance) C4'-P energy: -70.910 bonds (distance) P-C4' energy: -71.304 flat angles C4'-P-C4' energy: -85.759 flat angles P-C4'-P energy: -55.116 tors. eta vs tors. theta energy: -92.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1009.317856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.317856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.317856 (E_RNA) where: Base-Base interactions energy: -663.165 where: short stacking energy: -310.572 Base-Backbone interact. energy: -1.623 local terms energy: -344.530039 where: bonds (distance) C4'-P energy: -76.671 bonds (distance) P-C4' energy: -58.281 flat angles C4'-P-C4' energy: -77.039 flat angles P-C4'-P energy: -58.354 tors. eta vs tors. theta energy: -74.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -940.904526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.904526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.904526 (E_RNA) where: Base-Base interactions energy: -591.756 where: short stacking energy: -279.382 Base-Backbone interact. energy: -0.967 local terms energy: -348.182162 where: bonds (distance) C4'-P energy: -81.323 bonds (distance) P-C4' energy: -58.461 flat angles C4'-P-C4' energy: -83.586 flat angles P-C4'-P energy: -55.758 tors. eta vs tors. theta energy: -69.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -851.372886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.372886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.372886 (E_RNA) where: Base-Base interactions energy: -537.043 where: short stacking energy: -236.551 Base-Backbone interact. energy: -1.717 local terms energy: -312.612682 where: bonds (distance) C4'-P energy: -67.859 bonds (distance) P-C4' energy: -75.773 flat angles C4'-P-C4' energy: -64.563 flat angles P-C4'-P energy: -38.875 tors. eta vs tors. theta energy: -65.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -588.266245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.266245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.266245 (E_RNA) where: Base-Base interactions energy: -299.586 where: short stacking energy: -187.814 Base-Backbone interact. energy: -0.451 local terms energy: -288.229673 where: bonds (distance) C4'-P energy: -61.597 bonds (distance) P-C4' energy: -88.385 flat angles C4'-P-C4' energy: -72.031 flat angles P-C4'-P energy: -33.245 tors. eta vs tors. theta energy: -32.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -600.961483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.961483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.961483 (E_RNA) where: Base-Base interactions energy: -316.455 where: short stacking energy: -178.799 Base-Backbone interact. energy: -1.149 local terms energy: -283.357073 where: bonds (distance) C4'-P energy: -77.965 bonds (distance) P-C4' energy: -75.800 flat angles C4'-P-C4' energy: -53.786 flat angles P-C4'-P energy: -37.216 tors. eta vs tors. theta energy: -38.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -459.658709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.658709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.658709 (E_RNA) where: Base-Base interactions energy: -238.196 where: short stacking energy: -122.997 Base-Backbone interact. energy: 2.359 local terms energy: -223.821721 where: bonds (distance) C4'-P energy: -59.373 bonds (distance) P-C4' energy: -70.670 flat angles C4'-P-C4' energy: -66.739 flat angles P-C4'-P energy: -34.905 tors. eta vs tors. theta energy: 7.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -399.756506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.756506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.756506 (E_RNA) where: Base-Base interactions energy: -161.855 where: short stacking energy: -113.015 Base-Backbone interact. energy: -0.464 local terms energy: -237.436684 where: bonds (distance) C4'-P energy: -66.047 bonds (distance) P-C4' energy: -81.749 flat angles C4'-P-C4' energy: -50.761 flat angles P-C4'-P energy: -44.590 tors. eta vs tors. theta energy: 5.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1211.270916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.270916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.270916 (E_RNA) where: Base-Base interactions energy: -802.454 where: short stacking energy: -340.129 Base-Backbone interact. energy: -0.009 local terms energy: -408.806955 where: bonds (distance) C4'-P energy: -82.020 bonds (distance) P-C4' energy: -79.670 flat angles C4'-P-C4' energy: -83.905 flat angles P-C4'-P energy: -59.889 tors. eta vs tors. theta energy: -103.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1201.117191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.117191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.117191 (E_RNA) where: Base-Base interactions energy: -816.092 where: short stacking energy: -369.118 Base-Backbone interact. energy: 2.956 local terms energy: -387.980397 where: bonds (distance) C4'-P energy: -80.285 bonds (distance) P-C4' energy: -81.992 flat angles C4'-P-C4' energy: -79.694 flat angles P-C4'-P energy: -47.285 tors. eta vs tors. theta energy: -98.724 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: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1090.087795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.087795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.087795 (E_RNA) where: Base-Base interactions energy: -706.490 where: short stacking energy: -334.228 Base-Backbone interact. energy: 1.819 local terms energy: -385.416930 where: bonds (distance) C4'-P energy: -76.637 bonds (distance) P-C4' energy: -83.904 flat angles C4'-P-C4' energy: -73.411 flat angles P-C4'-P energy: -58.193 tors. eta vs tors. theta energy: -93.272 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: 2 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1010.674567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.674567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.674567 (E_RNA) where: Base-Base interactions energy: -653.689 where: short stacking energy: -303.780 Base-Backbone interact. energy: -0.506 local terms energy: -356.479636 where: bonds (distance) C4'-P energy: -64.086 bonds (distance) P-C4' energy: -76.508 flat angles C4'-P-C4' energy: -79.397 flat angles P-C4'-P energy: -55.101 tors. eta vs tors. theta energy: -81.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -924.569895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.569895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.569895 (E_RNA) where: Base-Base interactions energy: -576.140 where: short stacking energy: -297.943 Base-Backbone interact. energy: -1.912 local terms energy: -346.517544 where: bonds (distance) C4'-P energy: -59.957 bonds (distance) P-C4' energy: -73.603 flat angles C4'-P-C4' energy: -79.656 flat angles P-C4'-P energy: -49.480 tors. eta vs tors. theta energy: -83.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -854.203327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.203327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.203327 (E_RNA) where: Base-Base interactions energy: -542.120 where: short stacking energy: -247.350 Base-Backbone interact. energy: -1.020 local terms energy: -311.063146 where: bonds (distance) C4'-P energy: -71.704 bonds (distance) P-C4' energy: -65.393 flat angles C4'-P-C4' energy: -66.380 flat angles P-C4'-P energy: -39.937 tors. eta vs tors. theta energy: -67.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -572.179637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.179637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.179637 (E_RNA) where: Base-Base interactions energy: -290.716 where: short stacking energy: -171.166 Base-Backbone interact. energy: 1.630 local terms energy: -283.093475 where: bonds (distance) C4'-P energy: -65.585 bonds (distance) P-C4' energy: -82.191 flat angles C4'-P-C4' energy: -70.513 flat angles P-C4'-P energy: -46.585 tors. eta vs tors. theta energy: -18.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -570.667950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.667950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.667950 (E_RNA) where: Base-Base interactions energy: -306.848 where: short stacking energy: -184.485 Base-Backbone interact. energy: -0.069 local terms energy: -263.750672 where: bonds (distance) C4'-P energy: -76.191 bonds (distance) P-C4' energy: -65.563 flat angles C4'-P-C4' energy: -59.633 flat angles P-C4'-P energy: -30.370 tors. eta vs tors. theta energy: -31.995 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: 5 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -449.796888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.796888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.796888 (E_RNA) where: Base-Base interactions energy: -217.962 where: short stacking energy: -121.945 Base-Backbone interact. energy: 1.259 local terms energy: -233.094229 where: bonds (distance) C4'-P energy: -63.049 bonds (distance) P-C4' energy: -75.995 flat angles C4'-P-C4' energy: -42.684 flat angles P-C4'-P energy: -49.710 tors. eta vs tors. theta energy: -1.656 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: 51 Temperature: 1.350000 Total energy: -422.475563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.475563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.475563 (E_RNA) where: Base-Base interactions energy: -195.212 where: short stacking energy: -118.418 Base-Backbone interact. energy: 0.431 local terms energy: -227.694441 where: bonds (distance) C4'-P energy: -61.692 bonds (distance) P-C4' energy: -63.620 flat angles C4'-P-C4' energy: -67.658 flat angles P-C4'-P energy: -34.254 tors. eta vs tors. theta energy: -0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1269.038311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.038311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.038311 (E_RNA) where: Base-Base interactions energy: -853.779 where: short stacking energy: -392.214 Base-Backbone interact. energy: -1.320 local terms energy: -413.938798 where: bonds (distance) C4'-P energy: -85.976 bonds (distance) P-C4' energy: -77.790 flat angles C4'-P-C4' energy: -93.803 flat angles P-C4'-P energy: -54.504 tors. eta vs tors. theta energy: -101.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1219.598736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.598736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.598736 (E_RNA) where: Base-Base interactions energy: -807.914 where: short stacking energy: -361.519 Base-Backbone interact. energy: -1.206 local terms energy: -410.478952 where: bonds (distance) C4'-P energy: -82.746 bonds (distance) P-C4' energy: -74.756 flat angles C4'-P-C4' energy: -85.798 flat angles P-C4'-P energy: -68.982 tors. eta vs tors. theta energy: -98.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1083.334223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.334223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.334223 (E_RNA) where: Base-Base interactions energy: -720.594 where: short stacking energy: -344.165 Base-Backbone interact. energy: -1.736 local terms energy: -361.003717 where: bonds (distance) C4'-P energy: -87.731 bonds (distance) P-C4' energy: -73.820 flat angles C4'-P-C4' energy: -70.074 flat angles P-C4'-P energy: -39.983 tors. eta vs tors. theta energy: -89.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1002.096722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.096722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.096722 (E_RNA) where: Base-Base interactions energy: -661.198 where: short stacking energy: -298.798 Base-Backbone interact. energy: -2.801 local terms energy: -338.097521 where: bonds (distance) C4'-P energy: -68.851 bonds (distance) P-C4' energy: -69.654 flat angles C4'-P-C4' energy: -85.474 flat angles P-C4'-P energy: -41.798 tors. eta vs tors. theta energy: -72.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -968.547107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.547107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.547107 (E_RNA) where: Base-Base interactions energy: -619.838 where: short stacking energy: -294.550 Base-Backbone interact. energy: -1.271 local terms energy: -347.437971 where: bonds (distance) C4'-P energy: -71.365 bonds (distance) P-C4' energy: -62.260 flat angles C4'-P-C4' energy: -85.657 flat angles P-C4'-P energy: -53.175 tors. eta vs tors. theta energy: -74.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -846.629729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.629729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.629729 (E_RNA) where: Base-Base interactions energy: -523.372 where: short stacking energy: -289.291 Base-Backbone interact. energy: -3.221 local terms energy: -320.036899 where: bonds (distance) C4'-P energy: -71.783 bonds (distance) P-C4' energy: -68.249 flat angles C4'-P-C4' energy: -74.100 flat angles P-C4'-P energy: -38.017 tors. eta vs tors. theta energy: -67.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -653.399245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.399245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.399245 (E_RNA) where: Base-Base interactions energy: -386.265 where: short stacking energy: -201.601 Base-Backbone interact. energy: 6.162 local terms energy: -273.296088 where: bonds (distance) C4'-P energy: -70.156 bonds (distance) P-C4' energy: -74.146 flat angles C4'-P-C4' energy: -66.528 flat angles P-C4'-P energy: -38.930 tors. eta vs tors. theta energy: -23.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -529.558317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.558317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.558317 (E_RNA) where: Base-Base interactions energy: -277.904 where: short stacking energy: -164.527 Base-Backbone interact. energy: -0.022 local terms energy: -251.632818 where: bonds (distance) C4'-P energy: -71.398 bonds (distance) P-C4' energy: -71.581 flat angles C4'-P-C4' energy: -58.855 flat angles P-C4'-P energy: -33.498 tors. eta vs tors. theta energy: -16.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -507.308708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.308708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.308708 (E_RNA) where: Base-Base interactions energy: -240.741 where: short stacking energy: -150.142 Base-Backbone interact. energy: -0.444 local terms energy: -266.123244 where: bonds (distance) C4'-P energy: -70.452 bonds (distance) P-C4' energy: -56.791 flat angles C4'-P-C4' energy: -70.719 flat angles P-C4'-P energy: -56.443 tors. eta vs tors. theta energy: -11.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -388.547633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.547633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.547633 (E_RNA) where: Base-Base interactions energy: -167.351 where: short stacking energy: -116.714 Base-Backbone interact. energy: 5.749 local terms energy: -226.945967 where: bonds (distance) C4'-P energy: -73.048 bonds (distance) P-C4' energy: -69.473 flat angles C4'-P-C4' energy: -54.983 flat angles P-C4'-P energy: -37.807 tors. eta vs tors. theta energy: 8.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1256.104550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.104550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.104550 (E_RNA) where: Base-Base interactions energy: -819.971 where: short stacking energy: -370.682 Base-Backbone interact. energy: -1.137 local terms energy: -434.996604 where: bonds (distance) C4'-P energy: -81.766 bonds (distance) P-C4' energy: -88.994 flat angles C4'-P-C4' energy: -92.120 flat angles P-C4'-P energy: -61.675 tors. eta vs tors. theta energy: -110.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1229.826452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.826452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.826452 (E_RNA) where: Base-Base interactions energy: -830.988 where: short stacking energy: -370.253 Base-Backbone interact. energy: -2.283 local terms energy: -396.554989 where: bonds (distance) C4'-P energy: -78.992 bonds (distance) P-C4' energy: -81.216 flat angles C4'-P-C4' energy: -84.675 flat angles P-C4'-P energy: -52.835 tors. eta vs tors. theta energy: -98.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1098.728402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.728402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.728402 (E_RNA) where: Base-Base interactions energy: -703.325 where: short stacking energy: -317.619 Base-Backbone interact. energy: -1.819 local terms energy: -393.584773 where: bonds (distance) C4'-P energy: -72.955 bonds (distance) P-C4' energy: -78.382 flat angles C4'-P-C4' energy: -93.862 flat angles P-C4'-P energy: -56.774 tors. eta vs tors. theta energy: -91.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -999.571050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.571050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.571050 (E_RNA) where: Base-Base interactions energy: -636.893 where: short stacking energy: -296.442 Base-Backbone interact. energy: -1.521 local terms energy: -361.157081 where: bonds (distance) C4'-P energy: -78.076 bonds (distance) P-C4' energy: -73.232 flat angles C4'-P-C4' energy: -76.823 flat angles P-C4'-P energy: -55.509 tors. eta vs tors. theta energy: -77.516 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: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -950.888474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.888474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.888474 (E_RNA) where: Base-Base interactions energy: -610.929 where: short stacking energy: -282.832 Base-Backbone interact. energy: 0.624 local terms energy: -340.583654 where: bonds (distance) C4'-P energy: -74.969 bonds (distance) P-C4' energy: -64.561 flat angles C4'-P-C4' energy: -87.874 flat angles P-C4'-P energy: -42.052 tors. eta vs tors. theta energy: -71.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -833.896162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.896162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.896162 (E_RNA) where: Base-Base interactions energy: -529.730 where: short stacking energy: -261.335 Base-Backbone interact. energy: -2.440 local terms energy: -301.726172 where: bonds (distance) C4'-P energy: -61.509 bonds (distance) P-C4' energy: -75.488 flat angles C4'-P-C4' energy: -60.658 flat angles P-C4'-P energy: -46.031 tors. eta vs tors. theta energy: -58.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -672.141128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.141128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.141128 (E_RNA) where: Base-Base interactions energy: -380.919 where: short stacking energy: -210.912 Base-Backbone interact. energy: -1.706 local terms energy: -289.515540 where: bonds (distance) C4'-P energy: -64.482 bonds (distance) P-C4' energy: -64.203 flat angles C4'-P-C4' energy: -70.953 flat angles P-C4'-P energy: -58.539 tors. eta vs tors. theta energy: -31.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -549.981775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.981775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.981775 (E_RNA) where: Base-Base interactions energy: -283.250 where: short stacking energy: -183.084 Base-Backbone interact. energy: -0.616 local terms energy: -266.115534 where: bonds (distance) C4'-P energy: -62.160 bonds (distance) P-C4' energy: -64.916 flat angles C4'-P-C4' energy: -66.599 flat angles P-C4'-P energy: -46.464 tors. eta vs tors. theta energy: -25.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -464.442654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.442654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.442654 (E_RNA) where: Base-Base interactions energy: -235.280 where: short stacking energy: -137.904 Base-Backbone interact. energy: -0.709 local terms energy: -228.454141 where: bonds (distance) C4'-P energy: -58.137 bonds (distance) P-C4' energy: -74.915 flat angles C4'-P-C4' energy: -56.261 flat angles P-C4'-P energy: -33.868 tors. eta vs tors. theta energy: -5.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -387.408051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.408051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.408051 (E_RNA) where: Base-Base interactions energy: -169.900 where: short stacking energy: -97.369 Base-Backbone interact. energy: -1.714 local terms energy: -215.794119 where: bonds (distance) C4'-P energy: -59.694 bonds (distance) P-C4' energy: -74.813 flat angles C4'-P-C4' energy: -54.179 flat angles P-C4'-P energy: -43.743 tors. eta vs tors. theta energy: 16.636 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: 1, replica: 10 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1265.149097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.149097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.149097 (E_RNA) where: Base-Base interactions energy: -851.547 where: short stacking energy: -387.156 Base-Backbone interact. energy: -2.168 local terms energy: -411.434326 where: bonds (distance) C4'-P energy: -87.177 bonds (distance) P-C4' energy: -84.400 flat angles C4'-P-C4' energy: -84.897 flat angles P-C4'-P energy: -50.758 tors. eta vs tors. theta energy: -104.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1217.704534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.704534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.704534 (E_RNA) where: Base-Base interactions energy: -816.186 where: short stacking energy: -348.187 Base-Backbone interact. energy: -2.379 local terms energy: -399.138859 where: bonds (distance) C4'-P energy: -83.235 bonds (distance) P-C4' energy: -79.546 flat angles C4'-P-C4' energy: -80.239 flat angles P-C4'-P energy: -58.150 tors. eta vs tors. theta energy: -97.969 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: 9 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1057.435246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.435246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.435246 (E_RNA) where: Base-Base interactions energy: -692.570 where: short stacking energy: -341.761 Base-Backbone interact. energy: -0.470 local terms energy: -364.395538 where: bonds (distance) C4'-P energy: -76.220 bonds (distance) P-C4' energy: -78.602 flat angles C4'-P-C4' energy: -67.501 flat angles P-C4'-P energy: -47.311 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: 4, replica: 4 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1053.174505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.174505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.174505 (E_RNA) where: Base-Base interactions energy: -684.158 where: short stacking energy: -337.035 Base-Backbone interact. energy: -0.619 local terms energy: -368.397729 where: bonds (distance) C4'-P energy: -72.146 bonds (distance) P-C4' energy: -80.032 flat angles C4'-P-C4' energy: -80.388 flat angles P-C4'-P energy: -46.211 tors. eta vs tors. theta energy: -89.620 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: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -924.306932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.306932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.306932 (E_RNA) where: Base-Base interactions energy: -615.564 where: short stacking energy: -265.214 Base-Backbone interact. energy: -2.427 local terms energy: -306.316215 where: bonds (distance) C4'-P energy: -73.345 bonds (distance) P-C4' energy: -60.633 flat angles C4'-P-C4' energy: -70.729 flat angles P-C4'-P energy: -42.505 tors. eta vs tors. theta energy: -59.103 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: 3 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -846.703730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.703730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.703730 (E_RNA) where: Base-Base interactions energy: -516.978 where: short stacking energy: -232.492 Base-Backbone interact. energy: -2.453 local terms energy: -327.273399 where: bonds (distance) C4'-P energy: -70.202 bonds (distance) P-C4' energy: -76.533 flat angles C4'-P-C4' energy: -75.665 flat angles P-C4'-P energy: -49.379 tors. eta vs tors. theta energy: -55.494 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: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -715.703138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.703138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.703138 (E_RNA) where: Base-Base interactions energy: -407.813 where: short stacking energy: -232.850 Base-Backbone interact. energy: -1.109 local terms energy: -306.780716 where: bonds (distance) C4'-P energy: -64.301 bonds (distance) P-C4' energy: -83.487 flat angles C4'-P-C4' energy: -73.820 flat angles P-C4'-P energy: -44.616 tors. eta vs tors. theta energy: -40.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -563.364433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.364433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.364433 (E_RNA) where: Base-Base interactions energy: -309.811 where: short stacking energy: -175.337 Base-Backbone interact. energy: 5.415 local terms energy: -258.968606 where: bonds (distance) C4'-P energy: -73.618 bonds (distance) P-C4' energy: -65.404 flat angles C4'-P-C4' energy: -67.152 flat angles P-C4'-P energy: -49.037 tors. eta vs tors. theta energy: -3.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -462.610013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.610013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.610013 (E_RNA) where: Base-Base interactions energy: -223.102 where: short stacking energy: -126.454 Base-Backbone interact. energy: -2.180 local terms energy: -237.327427 where: bonds (distance) C4'-P energy: -53.661 bonds (distance) P-C4' energy: -76.378 flat angles C4'-P-C4' energy: -58.565 flat angles P-C4'-P energy: -31.908 tors. eta vs tors. theta energy: -16.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -411.183927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.183927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.183927 (E_RNA) where: Base-Base interactions energy: -188.193 where: short stacking energy: -120.996 Base-Backbone interact. energy: 3.421 local terms energy: -226.412726 where: bonds (distance) C4'-P energy: -70.819 bonds (distance) P-C4' energy: -60.420 flat angles C4'-P-C4' energy: -51.500 flat angles P-C4'-P energy: -33.212 tors. eta vs tors. theta energy: -10.462 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: 10 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1301.294700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.294700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.294700 (E_RNA) where: Base-Base interactions energy: -858.565 where: short stacking energy: -397.480 Base-Backbone interact. energy: 0.447 local terms energy: -443.176367 where: bonds (distance) C4'-P energy: -79.554 bonds (distance) P-C4' energy: -84.367 flat angles C4'-P-C4' energy: -89.244 flat angles P-C4'-P energy: -69.542 tors. eta vs tors. theta energy: -120.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1227.959202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.959202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.959202 (E_RNA) where: Base-Base interactions energy: -811.770 where: short stacking energy: -356.952 Base-Backbone interact. energy: -0.697 local terms energy: -415.491956 where: bonds (distance) C4'-P energy: -84.099 bonds (distance) P-C4' energy: -85.146 flat angles C4'-P-C4' energy: -88.016 flat angles P-C4'-P energy: -50.622 tors. eta vs tors. theta energy: -107.610 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: 55 Temperature: 1.000000 Total energy: -1090.560381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.560381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.560381 (E_RNA) where: Base-Base interactions energy: -687.582 where: short stacking energy: -337.080 Base-Backbone interact. energy: -1.301 local terms energy: -401.677986 where: bonds (distance) C4'-P energy: -73.595 bonds (distance) P-C4' energy: -74.298 flat angles C4'-P-C4' energy: -85.525 flat angles P-C4'-P energy: -61.757 tors. eta vs tors. theta energy: -106.505 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: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1011.423740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.423740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.423740 (E_RNA) where: Base-Base interactions energy: -646.897 where: short stacking energy: -308.985 Base-Backbone interact. energy: -1.158 local terms energy: -363.368849 where: bonds (distance) C4'-P energy: -67.010 bonds (distance) P-C4' energy: -80.367 flat angles C4'-P-C4' energy: -89.919 flat angles P-C4'-P energy: -48.104 tors. eta vs tors. theta energy: -77.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -908.566879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.566879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.566879 (E_RNA) where: Base-Base interactions energy: -569.043 where: short stacking energy: -256.490 Base-Backbone interact. energy: -1.737 local terms energy: -337.786391 where: bonds (distance) C4'-P energy: -73.894 bonds (distance) P-C4' energy: -81.719 flat angles C4'-P-C4' energy: -82.244 flat angles P-C4'-P energy: -39.610 tors. eta vs tors. theta energy: -60.320 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: 55 Temperature: 1.150000 Total energy: -812.134154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.134154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.134154 (E_RNA) where: Base-Base interactions energy: -513.167 where: short stacking energy: -238.942 Base-Backbone interact. energy: 3.544 local terms energy: -302.511041 where: bonds (distance) C4'-P energy: -56.185 bonds (distance) P-C4' energy: -79.618 flat angles C4'-P-C4' energy: -71.612 flat angles P-C4'-P energy: -48.469 tors. eta vs tors. theta energy: -46.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -686.018397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.018397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.018397 (E_RNA) where: Base-Base interactions energy: -398.547 where: short stacking energy: -191.505 Base-Backbone interact. energy: 0.094 local terms energy: -287.565983 where: bonds (distance) C4'-P energy: -70.412 bonds (distance) P-C4' energy: -65.211 flat angles C4'-P-C4' energy: -67.715 flat angles P-C4'-P energy: -46.324 tors. eta vs tors. theta energy: -37.905 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: 5 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -493.878937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.878937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.878937 (E_RNA) where: Base-Base interactions energy: -239.459 where: short stacking energy: -134.611 Base-Backbone interact. energy: 0.814 local terms energy: -255.234185 where: bonds (distance) C4'-P energy: -74.647 bonds (distance) P-C4' energy: -79.315 flat angles C4'-P-C4' energy: -61.962 flat angles P-C4'-P energy: -39.872 tors. eta vs tors. theta energy: 0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -514.951918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.951918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.951918 (E_RNA) where: Base-Base interactions energy: -270.135 where: short stacking energy: -155.127 Base-Backbone interact. energy: -0.562 local terms energy: -244.254147 where: bonds (distance) C4'-P energy: -62.475 bonds (distance) P-C4' energy: -65.229 flat angles C4'-P-C4' energy: -68.881 flat angles P-C4'-P energy: -43.269 tors. eta vs tors. theta energy: -4.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -412.546918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.546918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.546918 (E_RNA) where: Base-Base interactions energy: -190.726 where: short stacking energy: -107.363 Base-Backbone interact. energy: 0.610 local terms energy: -222.431558 where: bonds (distance) C4'-P energy: -62.763 bonds (distance) P-C4' energy: -67.933 flat angles C4'-P-C4' energy: -51.160 flat angles P-C4'-P energy: -36.899 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1300.548709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.548709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.548709 (E_RNA) where: Base-Base interactions energy: -879.166 where: short stacking energy: -405.848 Base-Backbone interact. energy: -1.985 local terms energy: -419.397453 where: bonds (distance) C4'-P energy: -68.990 bonds (distance) P-C4' energy: -73.501 flat angles C4'-P-C4' energy: -89.853 flat angles P-C4'-P energy: -66.398 tors. eta vs tors. theta energy: -120.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1224.123186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.123186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.123186 (E_RNA) where: Base-Base interactions energy: -826.213 where: short stacking energy: -371.478 Base-Backbone interact. energy: -1.810 local terms energy: -396.099582 where: bonds (distance) C4'-P energy: -80.112 bonds (distance) P-C4' energy: -68.603 flat angles C4'-P-C4' energy: -90.406 flat angles P-C4'-P energy: -50.606 tors. eta vs tors. theta energy: -106.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1069.675617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.675617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.675617 (E_RNA) where: Base-Base interactions energy: -677.668 where: short stacking energy: -337.143 Base-Backbone interact. energy: 1.593 local terms energy: -393.600394 where: bonds (distance) C4'-P energy: -84.877 bonds (distance) P-C4' energy: -70.325 flat angles C4'-P-C4' energy: -91.506 flat angles P-C4'-P energy: -55.637 tors. eta vs tors. theta energy: -91.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1042.848890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.848890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.848890 (E_RNA) where: Base-Base interactions energy: -687.885 where: short stacking energy: -318.799 Base-Backbone interact. energy: 1.690 local terms energy: -356.653972 where: bonds (distance) C4'-P energy: -62.409 bonds (distance) P-C4' energy: -82.291 flat angles C4'-P-C4' energy: -78.117 flat angles P-C4'-P energy: -55.426 tors. eta vs tors. theta energy: -78.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1000.069122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.069122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.069122 (E_RNA) where: Base-Base interactions energy: -657.324 where: short stacking energy: -303.134 Base-Backbone interact. energy: 1.172 local terms energy: -343.917374 where: bonds (distance) C4'-P energy: -79.333 bonds (distance) P-C4' energy: -60.962 flat angles C4'-P-C4' energy: -76.943 flat angles P-C4'-P energy: -42.409 tors. eta vs tors. theta energy: -84.271 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: 6, replica: 3 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -779.543648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.543648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.543648 (E_RNA) where: Base-Base interactions energy: -508.714 where: short stacking energy: -222.962 Base-Backbone interact. energy: -0.562 local terms energy: -270.267464 where: bonds (distance) C4'-P energy: -64.522 bonds (distance) P-C4' energy: -53.267 flat angles C4'-P-C4' energy: -65.585 flat angles P-C4'-P energy: -41.009 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: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -719.887869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.887869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.887869 (E_RNA) where: Base-Base interactions energy: -409.342 where: short stacking energy: -198.650 Base-Backbone interact. energy: -3.105 local terms energy: -307.441770 where: bonds (distance) C4'-P energy: -75.849 bonds (distance) P-C4' energy: -85.465 flat angles C4'-P-C4' energy: -71.198 flat angles P-C4'-P energy: -43.318 tors. eta vs tors. theta energy: -31.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -488.704207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.704207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.704207 (E_RNA) where: Base-Base interactions energy: -226.375 where: short stacking energy: -148.460 Base-Backbone interact. energy: -0.425 local terms energy: -261.904389 where: bonds (distance) C4'-P energy: -56.467 bonds (distance) P-C4' energy: -84.313 flat angles C4'-P-C4' energy: -63.887 flat angles P-C4'-P energy: -41.864 tors. eta vs tors. theta energy: -15.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -437.456938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.456938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.456938 (E_RNA) where: Base-Base interactions energy: -186.014 where: short stacking energy: -108.987 Base-Backbone interact. energy: -2.242 local terms energy: -249.200567 where: bonds (distance) C4'-P energy: -73.435 bonds (distance) P-C4' energy: -83.288 flat angles C4'-P-C4' energy: -58.614 flat angles P-C4'-P energy: -42.912 tors. eta vs tors. theta energy: 9.048 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: 1 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -520.743045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.743045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.743045 (E_RNA) where: Base-Base interactions energy: -264.087 where: short stacking energy: -165.015 Base-Backbone interact. energy: -0.817 local terms energy: -255.838947 where: bonds (distance) C4'-P energy: -70.830 bonds (distance) P-C4' energy: -71.151 flat angles C4'-P-C4' energy: -66.363 flat angles P-C4'-P energy: -24.967 tors. eta vs tors. theta energy: -22.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1302.553665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.553665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.553665 (E_RNA) where: Base-Base interactions energy: -883.972 where: short stacking energy: -431.024 Base-Backbone interact. energy: -1.771 local terms energy: -416.810805 where: bonds (distance) C4'-P energy: -67.442 bonds (distance) P-C4' energy: -76.409 flat angles C4'-P-C4' energy: -92.140 flat angles P-C4'-P energy: -61.024 tors. eta vs tors. theta energy: -119.796 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: 7 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1215.569305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.569305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.569305 (E_RNA) where: Base-Base interactions energy: -802.834 where: short stacking energy: -354.362 Base-Backbone interact. energy: -1.869 local terms energy: -410.865856 where: bonds (distance) C4'-P energy: -79.374 bonds (distance) P-C4' energy: -81.605 flat angles C4'-P-C4' energy: -88.739 flat angles P-C4'-P energy: -52.049 tors. eta vs tors. theta energy: -109.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1086.974123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.974123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.974123 (E_RNA) where: Base-Base interactions energy: -710.178 where: short stacking energy: -353.681 Base-Backbone interact. energy: 0.710 local terms energy: -377.506291 where: bonds (distance) C4'-P energy: -69.348 bonds (distance) P-C4' energy: -75.835 flat angles C4'-P-C4' energy: -78.978 flat angles P-C4'-P energy: -60.227 tors. eta vs tors. theta energy: -93.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1029.565287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.565287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.565287 (E_RNA) where: Base-Base interactions energy: -687.074 where: short stacking energy: -312.888 Base-Backbone interact. energy: 1.676 local terms energy: -344.166468 where: bonds (distance) C4'-P energy: -79.325 bonds (distance) P-C4' energy: -69.997 flat angles C4'-P-C4' energy: -75.602 flat angles P-C4'-P energy: -40.380 tors. eta vs tors. theta energy: -78.863 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: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -996.071531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.071531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.071531 (E_RNA) where: Base-Base interactions energy: -644.604 where: short stacking energy: -319.648 Base-Backbone interact. energy: 1.936 local terms energy: -353.403329 where: bonds (distance) C4'-P energy: -70.646 bonds (distance) P-C4' energy: -66.605 flat angles C4'-P-C4' energy: -77.316 flat angles P-C4'-P energy: -50.976 tors. eta vs tors. theta energy: -87.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -870.964687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.964687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.964687 (E_RNA) where: Base-Base interactions energy: -558.630 where: short stacking energy: -266.452 Base-Backbone interact. energy: 5.541 local terms energy: -317.875622 where: bonds (distance) C4'-P energy: -66.951 bonds (distance) P-C4' energy: -74.644 flat angles C4'-P-C4' energy: -75.333 flat angles P-C4'-P energy: -50.095 tors. eta vs tors. theta energy: -50.853 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: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -694.711371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.711371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.711371 (E_RNA) where: Base-Base interactions energy: -408.360 where: short stacking energy: -199.877 Base-Backbone interact. energy: 1.140 local terms energy: -287.491094 where: bonds (distance) C4'-P energy: -67.283 bonds (distance) P-C4' energy: -67.758 flat angles C4'-P-C4' energy: -68.796 flat angles P-C4'-P energy: -45.509 tors. eta vs tors. theta energy: -38.146 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: 8 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -452.485016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.485016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.485016 (E_RNA) where: Base-Base interactions energy: -209.514 where: short stacking energy: -153.823 Base-Backbone interact. energy: 6.924 local terms energy: -249.894898 where: bonds (distance) C4'-P energy: -69.071 bonds (distance) P-C4' energy: -82.917 flat angles C4'-P-C4' energy: -61.031 flat angles P-C4'-P energy: -21.039 tors. eta vs tors. theta energy: -15.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -453.966721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.966721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.966721 (E_RNA) where: Base-Base interactions energy: -216.230 where: short stacking energy: -139.971 Base-Backbone interact. energy: 2.534 local terms energy: -240.270571 where: bonds (distance) C4'-P energy: -66.439 bonds (distance) P-C4' energy: -59.157 flat angles C4'-P-C4' energy: -67.118 flat angles P-C4'-P energy: -41.280 tors. eta vs tors. theta energy: -6.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -496.674872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.674872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.674872 (E_RNA) where: Base-Base interactions energy: -247.553 where: short stacking energy: -140.457 Base-Backbone interact. energy: -0.798 local terms energy: -248.324417 where: bonds (distance) C4'-P energy: -69.145 bonds (distance) P-C4' energy: -63.333 flat angles C4'-P-C4' energy: -63.730 flat angles P-C4'-P energy: -32.612 tors. eta vs tors. theta energy: -19.505 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: 1, replica: 10 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1332.470256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.470256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.470256 (E_RNA) where: Base-Base interactions energy: -910.037 where: short stacking energy: -402.298 Base-Backbone interact. energy: -2.267 local terms energy: -420.166643 where: bonds (distance) C4'-P energy: -76.748 bonds (distance) P-C4' energy: -81.843 flat angles C4'-P-C4' energy: -82.952 flat angles P-C4'-P energy: -58.456 tors. eta vs tors. theta energy: -120.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1237.982986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.982986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.982986 (E_RNA) where: Base-Base interactions energy: -832.619 where: short stacking energy: -370.597 Base-Backbone interact. energy: 1.322 local terms energy: -406.685710 where: bonds (distance) C4'-P energy: -68.586 bonds (distance) P-C4' energy: -91.515 flat angles C4'-P-C4' energy: -71.225 flat angles P-C4'-P energy: -60.389 tors. eta vs tors. theta energy: -114.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1081.273453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.273453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.273453 (E_RNA) where: Base-Base interactions energy: -686.341 where: short stacking energy: -347.657 Base-Backbone interact. energy: -0.203 local terms energy: -394.729098 where: bonds (distance) C4'-P energy: -85.974 bonds (distance) P-C4' energy: -74.125 flat angles C4'-P-C4' energy: -88.505 flat angles P-C4'-P energy: -56.980 tors. eta vs tors. theta energy: -89.145 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: 4 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1040.765370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.765370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.765370 (E_RNA) where: Base-Base interactions energy: -673.044 where: short stacking energy: -303.951 Base-Backbone interact. energy: -0.452 local terms energy: -367.269500 where: bonds (distance) C4'-P energy: -80.196 bonds (distance) P-C4' energy: -79.113 flat angles C4'-P-C4' energy: -76.240 flat angles P-C4'-P energy: -51.589 tors. eta vs tors. theta energy: -80.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1003.331228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.331228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.331228 (E_RNA) where: Base-Base interactions energy: -633.253 where: short stacking energy: -290.500 Base-Backbone interact. energy: -2.715 local terms energy: -367.363699 where: bonds (distance) C4'-P energy: -65.074 bonds (distance) P-C4' energy: -77.758 flat angles C4'-P-C4' energy: -84.200 flat angles P-C4'-P energy: -54.114 tors. eta vs tors. theta energy: -86.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -848.971334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.971334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.971334 (E_RNA) where: Base-Base interactions energy: -535.854 where: short stacking energy: -252.195 Base-Backbone interact. energy: -2.099 local terms energy: -311.018124 where: bonds (distance) C4'-P energy: -71.622 bonds (distance) P-C4' energy: -56.697 flat angles C4'-P-C4' energy: -78.873 flat angles P-C4'-P energy: -45.547 tors. eta vs tors. theta energy: -58.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -689.998534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.998534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.998534 (E_RNA) where: Base-Base interactions energy: -400.650 where: short stacking energy: -213.410 Base-Backbone interact. energy: 1.412 local terms energy: -290.760744 where: bonds (distance) C4'-P energy: -70.537 bonds (distance) P-C4' energy: -66.802 flat angles C4'-P-C4' energy: -71.292 flat angles P-C4'-P energy: -45.039 tors. eta vs tors. theta energy: -37.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -463.197507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.197507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.197507 (E_RNA) where: Base-Base interactions energy: -246.587 where: short stacking energy: -140.355 Base-Backbone interact. energy: -0.056 local terms energy: -216.554594 where: bonds (distance) C4'-P energy: -46.218 bonds (distance) P-C4' energy: -61.088 flat angles C4'-P-C4' energy: -43.584 flat angles P-C4'-P energy: -47.269 tors. eta vs tors. theta energy: -18.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -511.769359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.769359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.769359 (E_RNA) where: Base-Base interactions energy: -253.224 where: short stacking energy: -140.107 Base-Backbone interact. energy: -2.567 local terms energy: -255.978294 where: bonds (distance) C4'-P energy: -71.400 bonds (distance) P-C4' energy: -60.826 flat angles C4'-P-C4' energy: -68.846 flat angles P-C4'-P energy: -43.093 tors. eta vs tors. theta energy: -11.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -434.108685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.108685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.108685 (E_RNA) where: Base-Base interactions energy: -216.329 where: short stacking energy: -124.909 Base-Backbone interact. energy: 0.365 local terms energy: -218.145271 where: bonds (distance) C4'-P energy: -69.128 bonds (distance) P-C4' energy: -66.958 flat angles C4'-P-C4' energy: -50.334 flat angles P-C4'-P energy: -26.559 tors. eta vs tors. theta energy: -5.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1311.714252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.714252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.714252 (E_RNA) where: Base-Base interactions energy: -883.796 where: short stacking energy: -416.467 Base-Backbone interact. energy: -0.546 local terms energy: -427.371905 where: bonds (distance) C4'-P energy: -77.581 bonds (distance) P-C4' energy: -78.392 flat angles C4'-P-C4' energy: -95.139 flat angles P-C4'-P energy: -57.872 tors. eta vs tors. theta energy: -118.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1233.508074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.508074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.508074 (E_RNA) where: Base-Base interactions energy: -830.736 where: short stacking energy: -353.379 Base-Backbone interact. energy: -3.042 local terms energy: -399.730874 where: bonds (distance) C4'-P energy: -63.905 bonds (distance) P-C4' energy: -80.922 flat angles C4'-P-C4' energy: -92.767 flat angles P-C4'-P energy: -53.647 tors. eta vs tors. theta energy: -108.489 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: 3, replica: 9 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1063.567511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.567511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.567511 (E_RNA) where: Base-Base interactions energy: -668.159 where: short stacking energy: -340.102 Base-Backbone interact. energy: 0.188 local terms energy: -395.595958 where: bonds (distance) C4'-P energy: -79.841 bonds (distance) P-C4' energy: -80.531 flat angles C4'-P-C4' energy: -90.036 flat angles P-C4'-P energy: -54.276 tors. eta vs tors. theta energy: -90.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1015.843927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.843927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.843927 (E_RNA) where: Base-Base interactions energy: -664.610 where: short stacking energy: -297.565 Base-Backbone interact. energy: -1.989 local terms energy: -349.245188 where: bonds (distance) C4'-P energy: -76.122 bonds (distance) P-C4' energy: -80.283 flat angles C4'-P-C4' energy: -73.452 flat angles P-C4'-P energy: -44.862 tors. eta vs tors. theta energy: -74.527 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: 4 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1009.734227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.734227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.734227 (E_RNA) where: Base-Base interactions energy: -673.077 where: short stacking energy: -308.858 Base-Backbone interact. energy: -2.149 local terms energy: -334.509043 where: bonds (distance) C4'-P energy: -62.286 bonds (distance) P-C4' energy: -64.814 flat angles C4'-P-C4' energy: -77.305 flat angles P-C4'-P energy: -49.575 tors. eta vs tors. theta energy: -80.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -881.300336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.300336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.300336 (E_RNA) where: Base-Base interactions energy: -575.106 where: short stacking energy: -294.200 Base-Backbone interact. energy: 3.801 local terms energy: -309.994883 where: bonds (distance) C4'-P energy: -67.781 bonds (distance) P-C4' energy: -64.919 flat angles C4'-P-C4' energy: -63.712 flat angles P-C4'-P energy: -43.481 tors. eta vs tors. theta energy: -70.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -709.439021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.439021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.439021 (E_RNA) where: Base-Base interactions energy: -428.617 where: short stacking energy: -221.310 Base-Backbone interact. energy: -1.130 local terms energy: -279.691935 where: bonds (distance) C4'-P energy: -58.951 bonds (distance) P-C4' energy: -67.925 flat angles C4'-P-C4' energy: -64.391 flat angles P-C4'-P energy: -43.061 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: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -541.012101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.012101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.012101 (E_RNA) where: Base-Base interactions energy: -281.375 where: short stacking energy: -154.715 Base-Backbone interact. energy: 0.397 local terms energy: -260.034006 where: bonds (distance) C4'-P energy: -72.930 bonds (distance) P-C4' energy: -77.264 flat angles C4'-P-C4' energy: -65.017 flat angles P-C4'-P energy: -34.873 tors. eta vs tors. theta energy: -9.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -432.143454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.143454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.143454 (E_RNA) where: Base-Base interactions energy: -180.628 where: short stacking energy: -129.401 Base-Backbone interact. energy: -1.621 local terms energy: -249.894763 where: bonds (distance) C4'-P energy: -71.881 bonds (distance) P-C4' energy: -71.715 flat angles C4'-P-C4' energy: -60.751 flat angles P-C4'-P energy: -42.480 tors. eta vs tors. theta energy: -3.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -437.140773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.140773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.140773 (E_RNA) where: Base-Base interactions energy: -240.939 where: short stacking energy: -149.831 Base-Backbone interact. energy: 0.138 local terms energy: -196.339931 where: bonds (distance) C4'-P energy: -44.039 bonds (distance) P-C4' energy: -64.453 flat angles C4'-P-C4' energy: -34.041 flat angles P-C4'-P energy: -32.244 tors. eta vs tors. theta energy: -21.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1359.773175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.773175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.773175 (E_RNA) where: Base-Base interactions energy: -911.702 where: short stacking energy: -407.118 Base-Backbone interact. energy: -1.318 local terms energy: -446.753871 where: bonds (distance) C4'-P energy: -85.372 bonds (distance) P-C4' energy: -72.872 flat angles C4'-P-C4' energy: -86.652 flat angles P-C4'-P energy: -69.431 tors. eta vs tors. theta energy: -132.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1206.077030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.077030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.077030 (E_RNA) where: Base-Base interactions energy: -792.956 where: short stacking energy: -351.285 Base-Backbone interact. energy: 2.446 local terms energy: -415.567761 where: bonds (distance) C4'-P energy: -75.573 bonds (distance) P-C4' energy: -83.538 flat angles C4'-P-C4' energy: -87.603 flat angles P-C4'-P energy: -66.337 tors. eta vs tors. theta energy: -102.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1045.914611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.914611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.914611 (E_RNA) where: Base-Base interactions energy: -660.684 where: short stacking energy: -344.426 Base-Backbone interact. energy: 0.363 local terms energy: -385.593578 where: bonds (distance) C4'-P energy: -74.032 bonds (distance) P-C4' energy: -81.043 flat angles C4'-P-C4' energy: -82.153 flat angles P-C4'-P energy: -55.750 tors. eta vs tors. theta energy: -92.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -980.434054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.434054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.434054 (E_RNA) where: Base-Base interactions energy: -631.852 where: short stacking energy: -301.337 Base-Backbone interact. energy: 1.530 local terms energy: -350.111447 where: bonds (distance) C4'-P energy: -76.119 bonds (distance) P-C4' energy: -65.667 flat angles C4'-P-C4' energy: -87.644 flat angles P-C4'-P energy: -41.128 tors. eta vs tors. theta energy: -79.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1006.103908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.103908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.103908 (E_RNA) where: Base-Base interactions energy: -661.943 where: short stacking energy: -291.697 Base-Backbone interact. energy: -1.673 local terms energy: -342.487687 where: bonds (distance) C4'-P energy: -61.867 bonds (distance) P-C4' energy: -68.521 flat angles C4'-P-C4' energy: -73.970 flat angles P-C4'-P energy: -53.583 tors. eta vs tors. theta energy: -84.547 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: 3 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -869.498026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.498026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.498026 (E_RNA) where: Base-Base interactions energy: -556.969 where: short stacking energy: -270.768 Base-Backbone interact. energy: -2.691 local terms energy: -309.838350 where: bonds (distance) C4'-P energy: -71.228 bonds (distance) P-C4' energy: -74.848 flat angles C4'-P-C4' energy: -68.387 flat angles P-C4'-P energy: -36.493 tors. eta vs tors. theta energy: -58.883 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: 6 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -735.668947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.668947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.668947 (E_RNA) where: Base-Base interactions energy: -428.880 where: short stacking energy: -229.109 Base-Backbone interact. energy: -0.255 local terms energy: -306.533326 where: bonds (distance) C4'-P energy: -66.349 bonds (distance) P-C4' energy: -80.114 flat angles C4'-P-C4' energy: -72.802 flat angles P-C4'-P energy: -38.664 tors. eta vs tors. theta energy: -48.604 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: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -530.964936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.964936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.964936 (E_RNA) where: Base-Base interactions energy: -296.279 where: short stacking energy: -158.369 Base-Backbone interact. energy: 3.926 local terms energy: -238.612284 where: bonds (distance) C4'-P energy: -59.109 bonds (distance) P-C4' energy: -69.806 flat angles C4'-P-C4' energy: -59.162 flat angles P-C4'-P energy: -44.862 tors. eta vs tors. theta energy: -5.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -455.766767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.766767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.766767 (E_RNA) where: Base-Base interactions energy: -221.918 where: short stacking energy: -148.069 Base-Backbone interact. energy: -0.066 local terms energy: -233.782940 where: bonds (distance) C4'-P energy: -62.204 bonds (distance) P-C4' energy: -64.075 flat angles C4'-P-C4' energy: -62.429 flat angles P-C4'-P energy: -37.309 tors. eta vs tors. theta energy: -7.766 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: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -349.567512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.567512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.567512 (E_RNA) where: Base-Base interactions energy: -149.405 where: short stacking energy: -99.025 Base-Backbone interact. energy: 8.356 local terms energy: -208.517845 where: bonds (distance) C4'-P energy: -65.452 bonds (distance) P-C4' energy: -69.390 flat angles C4'-P-C4' energy: -46.523 flat angles P-C4'-P energy: -35.130 tors. eta vs tors. theta energy: 7.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1341.493386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.493386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.493386 (E_RNA) where: Base-Base interactions energy: -889.668 where: short stacking energy: -407.498 Base-Backbone interact. energy: -0.427 local terms energy: -451.398103 where: bonds (distance) C4'-P energy: -83.054 bonds (distance) P-C4' energy: -92.931 flat angles C4'-P-C4' energy: -95.531 flat angles P-C4'-P energy: -65.169 tors. eta vs tors. theta energy: -114.714 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: 2, replica: 7 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1204.765304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.765304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.765304 (E_RNA) where: Base-Base interactions energy: -813.832 where: short stacking energy: -349.676 Base-Backbone interact. energy: -2.589 local terms energy: -388.343924 where: bonds (distance) C4'-P energy: -75.324 bonds (distance) P-C4' energy: -74.162 flat angles C4'-P-C4' energy: -90.431 flat angles P-C4'-P energy: -50.299 tors. eta vs tors. theta energy: -98.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1114.422359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.422359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.422359 (E_RNA) where: Base-Base interactions energy: -704.554 where: short stacking energy: -361.187 Base-Backbone interact. energy: 1.922 local terms energy: -411.790230 where: bonds (distance) C4'-P energy: -75.138 bonds (distance) P-C4' energy: -86.949 flat angles C4'-P-C4' energy: -92.903 flat angles P-C4'-P energy: -54.017 tors. eta vs tors. theta energy: -102.784 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: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -978.007288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.007288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.007288 (E_RNA) where: Base-Base interactions energy: -628.438 where: short stacking energy: -284.733 Base-Backbone interact. energy: -1.586 local terms energy: -347.983119 where: bonds (distance) C4'-P energy: -65.976 bonds (distance) P-C4' energy: -72.379 flat angles C4'-P-C4' energy: -81.846 flat angles P-C4'-P energy: -52.548 tors. eta vs tors. theta energy: -75.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1012.119274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.119274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.119274 (E_RNA) where: Base-Base interactions energy: -672.273 where: short stacking energy: -294.861 Base-Backbone interact. energy: -2.414 local terms energy: -337.433104 where: bonds (distance) C4'-P energy: -68.536 bonds (distance) P-C4' energy: -69.799 flat angles C4'-P-C4' energy: -80.939 flat angles P-C4'-P energy: -46.608 tors. eta vs tors. theta energy: -71.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -848.334627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.334627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.334627 (E_RNA) where: Base-Base interactions energy: -525.716 where: short stacking energy: -238.117 Base-Backbone interact. energy: 1.995 local terms energy: -324.614071 where: bonds (distance) C4'-P energy: -75.079 bonds (distance) P-C4' energy: -83.773 flat angles C4'-P-C4' energy: -64.870 flat angles P-C4'-P energy: -37.822 tors. eta vs tors. theta energy: -63.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -697.189440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.189440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.189440 (E_RNA) where: Base-Base interactions energy: -394.864 where: short stacking energy: -197.315 Base-Backbone interact. energy: 1.456 local terms energy: -303.781122 where: bonds (distance) C4'-P energy: -70.319 bonds (distance) P-C4' energy: -73.554 flat angles C4'-P-C4' energy: -76.292 flat angles P-C4'-P energy: -44.159 tors. eta vs tors. theta energy: -39.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -447.878117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.878117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.878117 (E_RNA) where: Base-Base interactions energy: -208.956 where: short stacking energy: -116.504 Base-Backbone interact. energy: 0.171 local terms energy: -239.093279 where: bonds (distance) C4'-P energy: -58.855 bonds (distance) P-C4' energy: -69.371 flat angles C4'-P-C4' energy: -63.202 flat angles P-C4'-P energy: -37.545 tors. eta vs tors. theta energy: -10.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -454.142346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.142346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.142346 (E_RNA) where: Base-Base interactions energy: -204.884 where: short stacking energy: -115.042 Base-Backbone interact. energy: -0.925 local terms energy: -248.333646 where: bonds (distance) C4'-P energy: -69.259 bonds (distance) P-C4' energy: -77.001 flat angles C4'-P-C4' energy: -62.510 flat angles P-C4'-P energy: -36.319 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -329.393117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.393117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.393117 (E_RNA) where: Base-Base interactions energy: -107.653 where: short stacking energy: -89.106 Base-Backbone interact. energy: 2.809 local terms energy: -224.549321 where: bonds (distance) C4'-P energy: -66.207 bonds (distance) P-C4' energy: -67.571 flat angles C4'-P-C4' energy: -69.595 flat angles P-C4'-P energy: -37.906 tors. eta vs tors. theta energy: 16.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1315.990243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.990243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.990243 (E_RNA) where: Base-Base interactions energy: -882.111 where: short stacking energy: -409.033 Base-Backbone interact. energy: -0.377 local terms energy: -433.502967 where: bonds (distance) C4'-P energy: -71.611 bonds (distance) P-C4' energy: -85.613 flat angles C4'-P-C4' energy: -84.183 flat angles P-C4'-P energy: -61.612 tors. eta vs tors. theta energy: -130.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1200.008447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.008447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.008447 (E_RNA) where: Base-Base interactions energy: -791.201 where: short stacking energy: -344.176 Base-Backbone interact. energy: -1.805 local terms energy: -407.002099 where: bonds (distance) C4'-P energy: -86.775 bonds (distance) P-C4' energy: -72.682 flat angles C4'-P-C4' energy: -82.084 flat angles P-C4'-P energy: -62.164 tors. eta vs tors. theta energy: -103.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1155.062988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.062988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.062988 (E_RNA) where: Base-Base interactions energy: -731.230 where: short stacking energy: -364.415 Base-Backbone interact. energy: -1.510 local terms energy: -422.322333 where: bonds (distance) C4'-P energy: -80.077 bonds (distance) P-C4' energy: -81.886 flat angles C4'-P-C4' energy: -89.570 flat angles P-C4'-P energy: -64.341 tors. eta vs tors. theta energy: -106.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -997.517129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.517129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.517129 (E_RNA) where: Base-Base interactions energy: -631.172 where: short stacking energy: -296.545 Base-Backbone interact. energy: 2.091 local terms energy: -368.436667 where: bonds (distance) C4'-P energy: -79.005 bonds (distance) P-C4' energy: -78.031 flat angles C4'-P-C4' energy: -81.093 flat angles P-C4'-P energy: -47.103 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: 5, replica: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1004.804069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.804069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.804069 (E_RNA) where: Base-Base interactions energy: -661.554 where: short stacking energy: -301.272 Base-Backbone interact. energy: -2.089 local terms energy: -341.161202 where: bonds (distance) C4'-P energy: -63.576 bonds (distance) P-C4' energy: -75.633 flat angles C4'-P-C4' energy: -67.504 flat angles P-C4'-P energy: -58.919 tors. eta vs tors. theta energy: -75.529 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: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -821.499252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.499252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.499252 (E_RNA) where: Base-Base interactions energy: -538.723 where: short stacking energy: -222.275 Base-Backbone interact. energy: -3.700 local terms energy: -279.076526 where: bonds (distance) C4'-P energy: -66.363 bonds (distance) P-C4' energy: -71.127 flat angles C4'-P-C4' energy: -61.152 flat angles P-C4'-P energy: -39.938 tors. eta vs tors. theta energy: -40.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -715.410985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.410985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.410985 (E_RNA) where: Base-Base interactions energy: -414.469 where: short stacking energy: -206.729 Base-Backbone interact. energy: -3.842 local terms energy: -297.100030 where: bonds (distance) C4'-P energy: -72.540 bonds (distance) P-C4' energy: -66.032 flat angles C4'-P-C4' energy: -68.904 flat angles P-C4'-P energy: -46.848 tors. eta vs tors. theta energy: -42.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -475.876425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.876425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.876425 (E_RNA) where: Base-Base interactions energy: -236.119 where: short stacking energy: -130.189 Base-Backbone interact. energy: 3.457 local terms energy: -243.214605 where: bonds (distance) C4'-P energy: -61.207 bonds (distance) P-C4' energy: -75.698 flat angles C4'-P-C4' energy: -66.657 flat angles P-C4'-P energy: -44.186 tors. eta vs tors. theta energy: 4.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -488.808652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.808652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.808652 (E_RNA) where: Base-Base interactions energy: -238.438 where: short stacking energy: -143.593 Base-Backbone interact. energy: -2.712 local terms energy: -247.659244 where: bonds (distance) C4'-P energy: -65.673 bonds (distance) P-C4' energy: -70.211 flat angles C4'-P-C4' energy: -76.429 flat angles P-C4'-P energy: -19.955 tors. eta vs tors. theta energy: -15.391 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: 62 Temperature: 1.350000 Total energy: -324.709732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.709732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.709732 (E_RNA) where: Base-Base interactions energy: -123.359 where: short stacking energy: -104.242 Base-Backbone interact. energy: 1.476 local terms energy: -202.827233 where: bonds (distance) C4'-P energy: -61.136 bonds (distance) P-C4' energy: -71.326 flat angles C4'-P-C4' energy: -60.352 flat angles P-C4'-P energy: -17.127 tors. eta vs tors. theta energy: 7.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1341.101910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.101910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.101910 (E_RNA) where: Base-Base interactions energy: -911.381 where: short stacking energy: -410.410 Base-Backbone interact. energy: -0.690 local terms energy: -429.030868 where: bonds (distance) C4'-P energy: -88.199 bonds (distance) P-C4' energy: -70.836 flat angles C4'-P-C4' energy: -85.997 flat angles P-C4'-P energy: -63.080 tors. eta vs tors. theta energy: -120.919 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: 2, replica: 9 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1194.837042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.837042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.837042 (E_RNA) where: Base-Base interactions energy: -769.302 where: short stacking energy: -371.499 Base-Backbone interact. energy: -0.594 local terms energy: -424.940701 where: bonds (distance) C4'-P energy: -70.619 bonds (distance) P-C4' energy: -85.608 flat angles C4'-P-C4' energy: -90.713 flat angles P-C4'-P energy: -70.286 tors. eta vs tors. theta energy: -107.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1162.650096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.650096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.650096 (E_RNA) where: Base-Base interactions energy: -792.254 where: short stacking energy: -341.895 Base-Backbone interact. energy: -1.511 local terms energy: -368.885195 where: bonds (distance) C4'-P energy: -56.645 bonds (distance) P-C4' energy: -77.113 flat angles C4'-P-C4' energy: -83.971 flat angles P-C4'-P energy: -46.654 tors. eta vs tors. theta energy: -104.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1049.567279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.567279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.567279 (E_RNA) where: Base-Base interactions energy: -688.652 where: short stacking energy: -313.117 Base-Backbone interact. energy: -2.548 local terms energy: -358.367669 where: bonds (distance) C4'-P energy: -74.803 bonds (distance) P-C4' energy: -72.143 flat angles C4'-P-C4' energy: -88.099 flat angles P-C4'-P energy: -49.874 tors. eta vs tors. theta energy: -73.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1009.217543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.217543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.217543 (E_RNA) where: Base-Base interactions energy: -654.872 where: short stacking energy: -310.010 Base-Backbone interact. energy: -1.130 local terms energy: -353.215166 where: bonds (distance) C4'-P energy: -65.370 bonds (distance) P-C4' energy: -69.951 flat angles C4'-P-C4' energy: -79.269 flat angles P-C4'-P energy: -57.666 tors. eta vs tors. theta energy: -80.960 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: 63 Temperature: 1.150000 Total energy: -803.992121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.992121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.992121 (E_RNA) where: Base-Base interactions energy: -516.383 where: short stacking energy: -228.728 Base-Backbone interact. energy: 2.039 local terms energy: -289.647247 where: bonds (distance) C4'-P energy: -64.279 bonds (distance) P-C4' energy: -70.852 flat angles C4'-P-C4' energy: -67.789 flat angles P-C4'-P energy: -39.015 tors. eta vs tors. theta energy: -47.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -706.933599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.933599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.933599 (E_RNA) where: Base-Base interactions energy: -426.901 where: short stacking energy: -216.236 Base-Backbone interact. energy: -1.590 local terms energy: -278.442056 where: bonds (distance) C4'-P energy: -59.736 bonds (distance) P-C4' energy: -71.646 flat angles C4'-P-C4' energy: -63.326 flat angles P-C4'-P energy: -48.040 tors. eta vs tors. theta energy: -35.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -478.756521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.756521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.756521 (E_RNA) where: Base-Base interactions energy: -228.528 where: short stacking energy: -147.063 Base-Backbone interact. energy: 0.854 local terms energy: -251.082972 where: bonds (distance) C4'-P energy: -53.285 bonds (distance) P-C4' energy: -56.749 flat angles C4'-P-C4' energy: -72.189 flat angles P-C4'-P energy: -52.158 tors. eta vs tors. theta energy: -16.703 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: 9, replica: 5 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -473.189854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.189854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.189854 (E_RNA) where: Base-Base interactions energy: -229.191 where: short stacking energy: -120.308 Base-Backbone interact. energy: 1.736 local terms energy: -245.734703 where: bonds (distance) C4'-P energy: -78.392 bonds (distance) P-C4' energy: -64.114 flat angles C4'-P-C4' energy: -57.259 flat angles P-C4'-P energy: -34.100 tors. eta vs tors. theta energy: -11.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -333.723209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.723209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.723209 (E_RNA) where: Base-Base interactions energy: -135.905 where: short stacking energy: -107.911 Base-Backbone interact. energy: -1.940 local terms energy: -195.878192 where: bonds (distance) C4'-P energy: -60.438 bonds (distance) P-C4' energy: -70.551 flat angles C4'-P-C4' energy: -61.270 flat angles P-C4'-P energy: -22.835 tors. eta vs tors. theta energy: 19.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1338.559842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.559842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.559842 (E_RNA) where: Base-Base interactions energy: -892.983 where: short stacking energy: -405.128 Base-Backbone interact. energy: 1.216 local terms energy: -446.792269 where: bonds (distance) C4'-P energy: -89.486 bonds (distance) P-C4' energy: -80.025 flat angles C4'-P-C4' energy: -92.751 flat angles P-C4'-P energy: -61.585 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: 2, replica: 9 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1198.784706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.784706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.784706 (E_RNA) where: Base-Base interactions energy: -784.530 where: short stacking energy: -399.433 Base-Backbone interact. energy: -0.675 local terms energy: -413.580078 where: bonds (distance) C4'-P energy: -71.812 bonds (distance) P-C4' energy: -82.774 flat angles C4'-P-C4' energy: -83.391 flat angles P-C4'-P energy: -64.512 tors. eta vs tors. theta energy: -111.089 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: 7 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1157.583597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.583597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.583597 (E_RNA) where: Base-Base interactions energy: -744.494 where: short stacking energy: -327.169 Base-Backbone interact. energy: -1.252 local terms energy: -411.838264 where: bonds (distance) C4'-P energy: -74.105 bonds (distance) P-C4' energy: -83.404 flat angles C4'-P-C4' energy: -94.996 flat angles P-C4'-P energy: -56.059 tors. eta vs tors. theta energy: -103.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1062.269159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.269159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.269159 (E_RNA) where: Base-Base interactions energy: -695.525 where: short stacking energy: -333.445 Base-Backbone interact. energy: -0.587 local terms energy: -366.157528 where: bonds (distance) C4'-P energy: -65.940 bonds (distance) P-C4' energy: -77.923 flat angles C4'-P-C4' energy: -76.249 flat angles P-C4'-P energy: -56.187 tors. eta vs tors. theta energy: -89.858 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: 4 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1043.233094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.233094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.233094 (E_RNA) where: Base-Base interactions energy: -664.323 where: short stacking energy: -294.823 Base-Backbone interact. energy: -1.857 local terms energy: -377.052396 where: bonds (distance) C4'-P energy: -74.301 bonds (distance) P-C4' energy: -87.016 flat angles C4'-P-C4' energy: -86.635 flat angles P-C4'-P energy: -44.052 tors. eta vs tors. theta energy: -85.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -868.055561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.055561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.055561 (E_RNA) where: Base-Base interactions energy: -573.902 where: short stacking energy: -252.420 Base-Backbone interact. energy: -2.650 local terms energy: -291.502909 where: bonds (distance) C4'-P energy: -83.044 bonds (distance) P-C4' energy: -67.638 flat angles C4'-P-C4' energy: -65.958 flat angles P-C4'-P energy: -26.547 tors. eta vs tors. theta energy: -48.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -699.014505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.014505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.014505 (E_RNA) where: Base-Base interactions energy: -406.172 where: short stacking energy: -211.966 Base-Backbone interact. energy: -2.043 local terms energy: -290.799748 where: bonds (distance) C4'-P energy: -66.991 bonds (distance) P-C4' energy: -57.626 flat angles C4'-P-C4' energy: -69.394 flat angles P-C4'-P energy: -55.981 tors. eta vs tors. theta energy: -40.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -491.163616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.163616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.163616 (E_RNA) where: Base-Base interactions energy: -259.146 where: short stacking energy: -162.049 Base-Backbone interact. energy: -1.502 local terms energy: -230.515655 where: bonds (distance) C4'-P energy: -67.733 bonds (distance) P-C4' energy: -71.292 flat angles C4'-P-C4' energy: -60.076 flat angles P-C4'-P energy: -18.763 tors. eta vs tors. theta energy: -12.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -383.012580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.012580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.012580 (E_RNA) where: Base-Base interactions energy: -162.141 where: short stacking energy: -130.113 Base-Backbone interact. energy: 0.527 local terms energy: -221.397993 where: bonds (distance) C4'-P energy: -51.703 bonds (distance) P-C4' energy: -66.458 flat angles C4'-P-C4' energy: -65.706 flat angles P-C4'-P energy: -30.709 tors. eta vs tors. theta energy: -6.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -458.774269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.774269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.774269 (E_RNA) where: Base-Base interactions energy: -224.325 where: short stacking energy: -125.614 Base-Backbone interact. energy: -1.217 local terms energy: -233.231983 where: bonds (distance) C4'-P energy: -62.907 bonds (distance) P-C4' energy: -65.126 flat angles C4'-P-C4' energy: -60.860 flat angles P-C4'-P energy: -45.501 tors. eta vs tors. theta energy: 1.162 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: 1, replica: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1306.593963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.593963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.593963 (E_RNA) where: Base-Base interactions energy: -870.380 where: short stacking energy: -399.807 Base-Backbone interact. energy: -2.320 local terms energy: -433.894203 where: bonds (distance) C4'-P energy: -80.381 bonds (distance) P-C4' energy: -86.115 flat angles C4'-P-C4' energy: -88.420 flat angles P-C4'-P energy: -62.533 tors. eta vs tors. theta energy: -116.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1209.108972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.108972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.108972 (E_RNA) where: Base-Base interactions energy: -778.255 where: short stacking energy: -384.520 Base-Backbone interact. energy: -1.689 local terms energy: -429.164798 where: bonds (distance) C4'-P energy: -80.911 bonds (distance) P-C4' energy: -81.006 flat angles C4'-P-C4' energy: -92.718 flat angles P-C4'-P energy: -61.254 tors. eta vs tors. theta energy: -113.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1146.631046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.631046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.631046 (E_RNA) where: Base-Base interactions energy: -788.795 where: short stacking energy: -343.850 Base-Backbone interact. energy: -2.321 local terms energy: -355.514803 where: bonds (distance) C4'-P energy: -67.908 bonds (distance) P-C4' energy: -79.798 flat angles C4'-P-C4' energy: -83.243 flat angles P-C4'-P energy: -27.175 tors. eta vs tors. theta energy: -97.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1053.498539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.498539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.498539 (E_RNA) where: Base-Base interactions energy: -712.850 where: short stacking energy: -319.924 Base-Backbone interact. energy: -0.543 local terms energy: -340.105739 where: bonds (distance) C4'-P energy: -63.463 bonds (distance) P-C4' energy: -67.999 flat angles C4'-P-C4' energy: -86.150 flat angles P-C4'-P energy: -36.493 tors. eta vs tors. theta energy: -86.000 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: 4 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1026.590679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.590679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.590679 (E_RNA) where: Base-Base interactions energy: -672.321 where: short stacking energy: -289.856 Base-Backbone interact. energy: -2.532 local terms energy: -351.737511 where: bonds (distance) C4'-P energy: -67.697 bonds (distance) P-C4' energy: -80.880 flat angles C4'-P-C4' energy: -83.435 flat angles P-C4'-P energy: -41.258 tors. eta vs tors. theta energy: -78.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -839.732887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.732887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.732887 (E_RNA) where: Base-Base interactions energy: -522.061 where: short stacking energy: -243.316 Base-Backbone interact. energy: -2.284 local terms energy: -315.388114 where: bonds (distance) C4'-P energy: -70.705 bonds (distance) P-C4' energy: -77.318 flat angles C4'-P-C4' energy: -68.380 flat angles P-C4'-P energy: -45.475 tors. eta vs tors. theta energy: -53.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -675.727957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.727957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.727957 (E_RNA) where: Base-Base interactions energy: -407.534 where: short stacking energy: -199.640 Base-Backbone interact. energy: -0.135 local terms energy: -268.058813 where: bonds (distance) C4'-P energy: -53.372 bonds (distance) P-C4' energy: -70.351 flat angles C4'-P-C4' energy: -72.924 flat angles P-C4'-P energy: -44.828 tors. eta vs tors. theta energy: -26.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -521.326894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.326894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.326894 (E_RNA) where: Base-Base interactions energy: -269.574 where: short stacking energy: -141.251 Base-Backbone interact. energy: -1.123 local terms energy: -250.629954 where: bonds (distance) C4'-P energy: -64.340 bonds (distance) P-C4' energy: -73.428 flat angles C4'-P-C4' energy: -57.247 flat angles P-C4'-P energy: -42.698 tors. eta vs tors. theta energy: -12.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -345.544486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.544486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.544486 (E_RNA) where: Base-Base interactions energy: -128.278 where: short stacking energy: -99.324 Base-Backbone interact. energy: 1.084 local terms energy: -218.351421 where: bonds (distance) C4'-P energy: -63.081 bonds (distance) P-C4' energy: -66.269 flat angles C4'-P-C4' energy: -68.508 flat angles P-C4'-P energy: -41.428 tors. eta vs tors. theta energy: 20.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -489.265455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.265455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.265455 (E_RNA) where: Base-Base interactions energy: -254.528 where: short stacking energy: -133.419 Base-Backbone interact. energy: 2.634 local terms energy: -237.371440 where: bonds (distance) C4'-P energy: -72.014 bonds (distance) P-C4' energy: -65.008 flat angles C4'-P-C4' energy: -62.347 flat angles P-C4'-P energy: -33.188 tors. eta vs tors. theta energy: -4.814 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: 10 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1320.071412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.071412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.071412 (E_RNA) where: Base-Base interactions energy: -893.713 where: short stacking energy: -401.196 Base-Backbone interact. energy: -0.992 local terms energy: -425.366659 where: bonds (distance) C4'-P energy: -74.669 bonds (distance) P-C4' energy: -86.160 flat angles C4'-P-C4' energy: -85.197 flat angles P-C4'-P energy: -58.036 tors. eta vs tors. theta energy: -121.305 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: 66 Temperature: 0.950000 Total energy: -1154.864838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.864838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.864838 (E_RNA) where: Base-Base interactions energy: -731.464 where: short stacking energy: -360.942 Base-Backbone interact. energy: -1.091 local terms energy: -422.309801 where: bonds (distance) C4'-P energy: -78.715 bonds (distance) P-C4' energy: -81.395 flat angles C4'-P-C4' energy: -89.065 flat angles P-C4'-P energy: -66.606 tors. eta vs tors. theta energy: -106.529 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: 7 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1093.343279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.343279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.343279 (E_RNA) where: Base-Base interactions energy: -715.850 where: short stacking energy: -317.155 Base-Backbone interact. energy: -0.833 local terms energy: -376.660396 where: bonds (distance) C4'-P energy: -74.912 bonds (distance) P-C4' energy: -71.665 flat angles C4'-P-C4' energy: -83.235 flat angles P-C4'-P energy: -59.489 tors. eta vs tors. theta energy: -87.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1052.520670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.520670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.520670 (E_RNA) where: Base-Base interactions energy: -681.491 where: short stacking energy: -309.851 Base-Backbone interact. energy: -1.525 local terms energy: -369.505027 where: bonds (distance) C4'-P energy: -82.749 bonds (distance) P-C4' energy: -78.152 flat angles C4'-P-C4' energy: -84.452 flat angles P-C4'-P energy: -43.927 tors. eta vs tors. theta energy: -80.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1006.549603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.549603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.549603 (E_RNA) where: Base-Base interactions energy: -640.919 where: short stacking energy: -282.956 Base-Backbone interact. energy: -2.029 local terms energy: -363.601116 where: bonds (distance) C4'-P energy: -80.075 bonds (distance) P-C4' energy: -73.620 flat angles C4'-P-C4' energy: -79.039 flat angles P-C4'-P energy: -61.310 tors. eta vs tors. theta energy: -69.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -750.105297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.105297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.105297 (E_RNA) where: Base-Base interactions energy: -473.747 where: short stacking energy: -214.224 Base-Backbone interact. energy: -1.776 local terms energy: -274.581929 where: bonds (distance) C4'-P energy: -57.945 bonds (distance) P-C4' energy: -67.006 flat angles C4'-P-C4' energy: -59.476 flat angles P-C4'-P energy: -49.115 tors. eta vs tors. theta energy: -41.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -704.609839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.609839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.609839 (E_RNA) where: Base-Base interactions energy: -419.618 where: short stacking energy: -185.821 Base-Backbone interact. energy: -1.090 local terms energy: -283.901270 where: bonds (distance) C4'-P energy: -67.956 bonds (distance) P-C4' energy: -76.347 flat angles C4'-P-C4' energy: -76.703 flat angles P-C4'-P energy: -30.205 tors. eta vs tors. theta energy: -32.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -565.503509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.503509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.503509 (E_RNA) where: Base-Base interactions energy: -302.649 where: short stacking energy: -169.078 Base-Backbone interact. energy: -0.988 local terms energy: -261.866553 where: bonds (distance) C4'-P energy: -74.348 bonds (distance) P-C4' energy: -63.718 flat angles C4'-P-C4' energy: -60.657 flat angles P-C4'-P energy: -32.455 tors. eta vs tors. theta energy: -30.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -479.064516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.064516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.064516 (E_RNA) where: Base-Base interactions energy: -245.574 where: short stacking energy: -141.307 Base-Backbone interact. energy: 3.526 local terms energy: -237.015777 where: bonds (distance) C4'-P energy: -59.905 bonds (distance) P-C4' energy: -74.033 flat angles C4'-P-C4' energy: -63.326 flat angles P-C4'-P energy: -28.926 tors. eta vs tors. theta energy: -10.826 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: 66 Temperature: 1.350000 Total energy: -318.458378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.458378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.458378 (E_RNA) where: Base-Base interactions energy: -107.172 where: short stacking energy: -99.526 Base-Backbone interact. energy: 0.088 local terms energy: -211.374929 where: bonds (distance) C4'-P energy: -51.665 bonds (distance) P-C4' energy: -66.493 flat angles C4'-P-C4' energy: -65.434 flat angles P-C4'-P energy: -33.288 tors. eta vs tors. theta energy: 5.505 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: 1, replica: 10 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1330.515076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.515076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.515076 (E_RNA) where: Base-Base interactions energy: -895.267 where: short stacking energy: -408.045 Base-Backbone interact. energy: -0.603 local terms energy: -434.645338 where: bonds (distance) C4'-P energy: -71.791 bonds (distance) P-C4' energy: -90.562 flat angles C4'-P-C4' energy: -94.016 flat angles P-C4'-P energy: -60.494 tors. eta vs tors. theta energy: -117.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1172.287593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.287593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.287593 (E_RNA) where: Base-Base interactions energy: -772.271 where: short stacking energy: -365.299 Base-Backbone interact. energy: 0.402 local terms energy: -400.418606 where: bonds (distance) C4'-P energy: -80.052 bonds (distance) P-C4' energy: -79.985 flat angles C4'-P-C4' energy: -78.395 flat angles P-C4'-P energy: -54.142 tors. eta vs tors. theta energy: -107.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1095.884092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.884092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.884092 (E_RNA) where: Base-Base interactions energy: -700.783 where: short stacking energy: -353.752 Base-Backbone interact. energy: -1.825 local terms energy: -393.276292 where: bonds (distance) C4'-P energy: -74.980 bonds (distance) P-C4' energy: -76.251 flat angles C4'-P-C4' energy: -88.987 flat angles P-C4'-P energy: -51.432 tors. eta vs tors. theta energy: -101.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1033.608052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.608052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.608052 (E_RNA) where: Base-Base interactions energy: -661.146 where: short stacking energy: -291.913 Base-Backbone interact. energy: -0.878 local terms energy: -371.584479 where: bonds (distance) C4'-P energy: -84.994 bonds (distance) P-C4' energy: -82.922 flat angles C4'-P-C4' energy: -83.372 flat angles P-C4'-P energy: -32.123 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: 5, replica: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -992.616525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.616525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.616525 (E_RNA) where: Base-Base interactions energy: -641.062 where: short stacking energy: -285.678 Base-Backbone interact. energy: -2.145 local terms energy: -349.409322 where: bonds (distance) C4'-P energy: -72.987 bonds (distance) P-C4' energy: -82.928 flat angles C4'-P-C4' energy: -76.253 flat angles P-C4'-P energy: -45.418 tors. eta vs tors. theta energy: -71.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -767.441944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.441944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.441944 (E_RNA) where: Base-Base interactions energy: -455.374 where: short stacking energy: -231.501 Base-Backbone interact. energy: -1.071 local terms energy: -310.995978 where: bonds (distance) C4'-P energy: -62.416 bonds (distance) P-C4' energy: -77.414 flat angles C4'-P-C4' energy: -76.010 flat angles P-C4'-P energy: -50.653 tors. eta vs tors. theta energy: -44.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -682.853893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.853893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.853893 (E_RNA) where: Base-Base interactions energy: -387.741 where: short stacking energy: -204.562 Base-Backbone interact. energy: -1.256 local terms energy: -293.856440 where: bonds (distance) C4'-P energy: -69.780 bonds (distance) P-C4' energy: -76.728 flat angles C4'-P-C4' energy: -71.748 flat angles P-C4'-P energy: -40.939 tors. eta vs tors. theta energy: -34.661 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: 67 Temperature: 1.250000 Total energy: -544.491429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.491429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.491429 (E_RNA) where: Base-Base interactions energy: -307.184 where: short stacking energy: -192.113 Base-Backbone interact. energy: -0.077 local terms energy: -237.230221 where: bonds (distance) C4'-P energy: -63.934 bonds (distance) P-C4' energy: -64.052 flat angles C4'-P-C4' energy: -51.670 flat angles P-C4'-P energy: -41.477 tors. eta vs tors. theta energy: -16.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -499.482764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.482764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.482764 (E_RNA) where: Base-Base interactions energy: -261.235 where: short stacking energy: -148.853 Base-Backbone interact. energy: 4.772 local terms energy: -243.019923 where: bonds (distance) C4'-P energy: -70.752 bonds (distance) P-C4' energy: -65.344 flat angles C4'-P-C4' energy: -55.722 flat angles P-C4'-P energy: -41.184 tors. eta vs tors. theta energy: -10.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -340.452518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.452518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.452518 (E_RNA) where: Base-Base interactions energy: -142.975 where: short stacking energy: -110.914 Base-Backbone interact. energy: 1.690 local terms energy: -199.167890 where: bonds (distance) C4'-P energy: -68.816 bonds (distance) P-C4' energy: -57.953 flat angles C4'-P-C4' energy: -42.457 flat angles P-C4'-P energy: -41.996 tors. eta vs tors. theta energy: 12.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1331.039286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.039286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.039286 (E_RNA) where: Base-Base interactions energy: -898.439 where: short stacking energy: -397.320 Base-Backbone interact. energy: -2.594 local terms energy: -430.006271 where: bonds (distance) C4'-P energy: -75.656 bonds (distance) P-C4' energy: -83.148 flat angles C4'-P-C4' energy: -92.236 flat angles P-C4'-P energy: -60.575 tors. eta vs tors. theta energy: -118.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1152.103106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.103106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.103106 (E_RNA) where: Base-Base interactions energy: -789.493 where: short stacking energy: -350.993 Base-Backbone interact. energy: 0.035 local terms energy: -362.645202 where: bonds (distance) C4'-P energy: -63.677 bonds (distance) P-C4' energy: -70.973 flat angles C4'-P-C4' energy: -82.754 flat angles P-C4'-P energy: -44.919 tors. eta vs tors. theta energy: -100.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1106.445519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.445519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.445519 (E_RNA) where: Base-Base interactions energy: -707.643 where: short stacking energy: -354.689 Base-Backbone interact. energy: 1.976 local terms energy: -400.778422 where: bonds (distance) C4'-P energy: -79.612 bonds (distance) P-C4' energy: -86.426 flat angles C4'-P-C4' energy: -83.486 flat angles P-C4'-P energy: -45.950 tors. eta vs tors. theta energy: -105.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -987.800266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.800266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.800266 (E_RNA) where: Base-Base interactions energy: -643.419 where: short stacking energy: -287.417 Base-Backbone interact. energy: -0.747 local terms energy: -343.634578 where: bonds (distance) C4'-P energy: -71.848 bonds (distance) P-C4' energy: -72.013 flat angles C4'-P-C4' energy: -67.212 flat angles P-C4'-P energy: -54.934 tors. eta vs tors. theta energy: -77.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1012.932940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.932940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.932940 (E_RNA) where: Base-Base interactions energy: -666.930 where: short stacking energy: -306.251 Base-Backbone interact. energy: -1.582 local terms energy: -344.420641 where: bonds (distance) C4'-P energy: -69.932 bonds (distance) P-C4' energy: -58.234 flat angles C4'-P-C4' energy: -81.786 flat angles P-C4'-P energy: -49.829 tors. eta vs tors. theta energy: -84.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -752.549057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.549057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.549057 (E_RNA) where: Base-Base interactions energy: -452.008 where: short stacking energy: -227.797 Base-Backbone interact. energy: -0.945 local terms energy: -299.596283 where: bonds (distance) C4'-P energy: -68.476 bonds (distance) P-C4' energy: -61.202 flat angles C4'-P-C4' energy: -69.139 flat angles P-C4'-P energy: -57.908 tors. eta vs tors. theta energy: -42.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -582.670235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.670235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.670235 (E_RNA) where: Base-Base interactions energy: -322.355 where: short stacking energy: -186.023 Base-Backbone interact. energy: -1.070 local terms energy: -259.244641 where: bonds (distance) C4'-P energy: -67.297 bonds (distance) P-C4' energy: -64.033 flat angles C4'-P-C4' energy: -60.468 flat angles P-C4'-P energy: -36.087 tors. eta vs tors. theta energy: -31.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -583.188193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.188193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.188193 (E_RNA) where: Base-Base interactions energy: -311.903 where: short stacking energy: -166.216 Base-Backbone interact. energy: -0.839 local terms energy: -270.446453 where: bonds (distance) C4'-P energy: -71.847 bonds (distance) P-C4' energy: -78.326 flat angles C4'-P-C4' energy: -72.360 flat angles P-C4'-P energy: -32.982 tors. eta vs tors. theta energy: -14.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -528.167917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.167917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.167917 (E_RNA) where: Base-Base interactions energy: -276.848 where: short stacking energy: -159.651 Base-Backbone interact. energy: -2.007 local terms energy: -249.312389 where: bonds (distance) C4'-P energy: -72.769 bonds (distance) P-C4' energy: -76.586 flat angles C4'-P-C4' energy: -45.586 flat angles P-C4'-P energy: -39.341 tors. eta vs tors. theta energy: -15.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -309.242226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.242226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.242226 (E_RNA) where: Base-Base interactions energy: -126.507 where: short stacking energy: -103.959 Base-Backbone interact. energy: 4.571 local terms energy: -187.305397 where: bonds (distance) C4'-P energy: -65.578 bonds (distance) P-C4' energy: -60.968 flat angles C4'-P-C4' energy: -36.747 flat angles P-C4'-P energy: -32.237 tors. eta vs tors. theta energy: 8.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1328.443498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.443498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.443498 (E_RNA) where: Base-Base interactions energy: -893.127 where: short stacking energy: -414.686 Base-Backbone interact. energy: -0.472 local terms energy: -434.844222 where: bonds (distance) C4'-P energy: -68.221 bonds (distance) P-C4' energy: -90.951 flat angles C4'-P-C4' energy: -90.992 flat angles P-C4'-P energy: -59.804 tors. eta vs tors. theta energy: -124.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1195.923800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.923800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.923800 (E_RNA) where: Base-Base interactions energy: -793.138 where: short stacking energy: -361.377 Base-Backbone interact. energy: 4.794 local terms energy: -407.579403 where: bonds (distance) C4'-P energy: -72.365 bonds (distance) P-C4' energy: -84.415 flat angles C4'-P-C4' energy: -87.574 flat angles P-C4'-P energy: -64.680 tors. eta vs tors. theta energy: -98.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1036.653510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.653510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.653510 (E_RNA) where: Base-Base interactions energy: -646.475 where: short stacking energy: -322.432 Base-Backbone interact. energy: -0.948 local terms energy: -389.230671 where: bonds (distance) C4'-P energy: -80.060 bonds (distance) P-C4' energy: -82.732 flat angles C4'-P-C4' energy: -80.634 flat angles P-C4'-P energy: -56.411 tors. eta vs tors. theta energy: -89.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1037.828155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.828155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.828155 (E_RNA) where: Base-Base interactions energy: -672.489 where: short stacking energy: -320.338 Base-Backbone interact. energy: -1.561 local terms energy: -363.778260 where: bonds (distance) C4'-P energy: -73.694 bonds (distance) P-C4' energy: -63.869 flat angles C4'-P-C4' energy: -82.188 flat angles P-C4'-P energy: -61.724 tors. eta vs tors. theta energy: -82.303 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: 2 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1011.580796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.580796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.580796 (E_RNA) where: Base-Base interactions energy: -666.738 where: short stacking energy: -294.735 Base-Backbone interact. energy: -1.081 local terms energy: -343.761248 where: bonds (distance) C4'-P energy: -68.577 bonds (distance) P-C4' energy: -73.185 flat angles C4'-P-C4' energy: -76.975 flat angles P-C4'-P energy: -51.359 tors. eta vs tors. theta energy: -73.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -779.191583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.191583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.191583 (E_RNA) where: Base-Base interactions energy: -475.740 where: short stacking energy: -239.436 Base-Backbone interact. energy: -3.148 local terms energy: -300.303593 where: bonds (distance) C4'-P energy: -64.795 bonds (distance) P-C4' energy: -70.412 flat angles C4'-P-C4' energy: -70.992 flat angles P-C4'-P energy: -40.112 tors. eta vs tors. theta energy: -53.992 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: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -584.659906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.659906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.659906 (E_RNA) where: Base-Base interactions energy: -307.903 where: short stacking energy: -182.540 Base-Backbone interact. energy: 0.773 local terms energy: -277.529535 where: bonds (distance) C4'-P energy: -56.950 bonds (distance) P-C4' energy: -86.929 flat angles C4'-P-C4' energy: -69.916 flat angles P-C4'-P energy: -41.920 tors. eta vs tors. theta energy: -21.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -592.914342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.914342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.914342 (E_RNA) where: Base-Base interactions energy: -340.082 where: short stacking energy: -149.264 Base-Backbone interact. energy: 3.478 local terms energy: -256.310366 where: bonds (distance) C4'-P energy: -70.103 bonds (distance) P-C4' energy: -70.990 flat angles C4'-P-C4' energy: -61.032 flat angles P-C4'-P energy: -42.200 tors. eta vs tors. theta energy: -11.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -451.082553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.082553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.082553 (E_RNA) where: Base-Base interactions energy: -216.698 where: short stacking energy: -120.707 Base-Backbone interact. energy: 3.124 local terms energy: -237.508744 where: bonds (distance) C4'-P energy: -68.355 bonds (distance) P-C4' energy: -68.638 flat angles C4'-P-C4' energy: -63.462 flat angles P-C4'-P energy: -37.608 tors. eta vs tors. theta energy: 0.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -360.953907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.953907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.953907 (E_RNA) where: Base-Base interactions energy: -160.916 where: short stacking energy: -109.261 Base-Backbone interact. energy: 1.349 local terms energy: -201.387243 where: bonds (distance) C4'-P energy: -57.370 bonds (distance) P-C4' energy: -74.989 flat angles C4'-P-C4' energy: -62.437 flat angles P-C4'-P energy: -26.088 tors. eta vs tors. theta energy: 19.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1311.206102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.206102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.206102 (E_RNA) where: Base-Base interactions energy: -874.356 where: short stacking energy: -398.842 Base-Backbone interact. energy: -1.053 local terms energy: -435.796948 where: bonds (distance) C4'-P energy: -83.521 bonds (distance) P-C4' energy: -81.695 flat angles C4'-P-C4' energy: -89.317 flat angles P-C4'-P energy: -58.651 tors. eta vs tors. theta energy: -122.613 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: 2, replica: 7 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1176.720867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.720867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.720867 (E_RNA) where: Base-Base interactions energy: -785.972 where: short stacking energy: -355.994 Base-Backbone interact. energy: -1.040 local terms energy: -389.708922 where: bonds (distance) C4'-P energy: -70.791 bonds (distance) P-C4' energy: -71.295 flat angles C4'-P-C4' energy: -89.948 flat angles P-C4'-P energy: -55.888 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: 3, replica: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1040.140707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.140707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.140707 (E_RNA) where: Base-Base interactions energy: -662.036 where: short stacking energy: -311.900 Base-Backbone interact. energy: 1.101 local terms energy: -379.205269 where: bonds (distance) C4'-P energy: -84.388 bonds (distance) P-C4' energy: -79.842 flat angles C4'-P-C4' energy: -78.407 flat angles P-C4'-P energy: -59.992 tors. eta vs tors. theta energy: -76.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1027.679401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.679401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.679401 (E_RNA) where: Base-Base interactions energy: -673.782 where: short stacking energy: -303.315 Base-Backbone interact. energy: -2.423 local terms energy: -351.475138 where: bonds (distance) C4'-P energy: -71.616 bonds (distance) P-C4' energy: -80.305 flat angles C4'-P-C4' energy: -72.853 flat angles P-C4'-P energy: -51.538 tors. eta vs tors. theta energy: -75.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -984.040622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.040622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.040622 (E_RNA) where: Base-Base interactions energy: -640.279 where: short stacking energy: -285.264 Base-Backbone interact. energy: -1.446 local terms energy: -342.315660 where: bonds (distance) C4'-P energy: -71.481 bonds (distance) P-C4' energy: -81.498 flat angles C4'-P-C4' energy: -79.738 flat angles P-C4'-P energy: -47.393 tors. eta vs tors. theta energy: -62.205 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: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -792.706591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.706591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.706591 (E_RNA) where: Base-Base interactions energy: -488.348 where: short stacking energy: -237.592 Base-Backbone interact. energy: 2.796 local terms energy: -307.154306 where: bonds (distance) C4'-P energy: -66.035 bonds (distance) P-C4' energy: -89.033 flat angles C4'-P-C4' energy: -61.373 flat angles P-C4'-P energy: -48.273 tors. eta vs tors. theta energy: -42.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -680.830636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.830636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.830636 (E_RNA) where: Base-Base interactions energy: -387.572 where: short stacking energy: -181.857 Base-Backbone interact. energy: 1.424 local terms energy: -294.682655 where: bonds (distance) C4'-P energy: -70.180 bonds (distance) P-C4' energy: -76.953 flat angles C4'-P-C4' energy: -72.091 flat angles P-C4'-P energy: -43.306 tors. eta vs tors. theta energy: -32.154 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: 1 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -552.963687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.963687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.963687 (E_RNA) where: Base-Base interactions energy: -296.039 where: short stacking energy: -165.959 Base-Backbone interact. energy: -1.184 local terms energy: -255.740688 where: bonds (distance) C4'-P energy: -77.450 bonds (distance) P-C4' energy: -64.781 flat angles C4'-P-C4' energy: -52.637 flat angles P-C4'-P energy: -41.249 tors. eta vs tors. theta energy: -19.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -474.581127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.581127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.581127 (E_RNA) where: Base-Base interactions energy: -253.659 where: short stacking energy: -133.890 Base-Backbone interact. energy: -1.937 local terms energy: -218.985015 where: bonds (distance) C4'-P energy: -57.894 bonds (distance) P-C4' energy: -72.319 flat angles C4'-P-C4' energy: -51.941 flat angles P-C4'-P energy: -39.496 tors. eta vs tors. theta energy: 2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -397.149295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.149295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.149295 (E_RNA) where: Base-Base interactions energy: -160.896 where: short stacking energy: -123.399 Base-Backbone interact. energy: 5.383 local terms energy: -241.636333 where: bonds (distance) C4'-P energy: -65.386 bonds (distance) P-C4' energy: -53.252 flat angles C4'-P-C4' energy: -69.715 flat angles P-C4'-P energy: -57.567 tors. eta vs tors. theta energy: 4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1334.860157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.860157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.860157 (E_RNA) where: Base-Base interactions energy: -889.994 where: short stacking energy: -421.709 Base-Backbone interact. energy: -1.476 local terms energy: -443.389796 where: bonds (distance) C4'-P energy: -91.391 bonds (distance) P-C4' energy: -82.118 flat angles C4'-P-C4' energy: -84.497 flat angles P-C4'-P energy: -62.124 tors. eta vs tors. theta energy: -123.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1146.293723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.293723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.293723 (E_RNA) where: Base-Base interactions energy: -746.023 where: short stacking energy: -334.344 Base-Backbone interact. energy: -2.463 local terms energy: -397.808254 where: bonds (distance) C4'-P energy: -81.951 bonds (distance) P-C4' energy: -86.832 flat angles C4'-P-C4' energy: -85.250 flat angles P-C4'-P energy: -53.483 tors. eta vs tors. theta energy: -90.291 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: 9 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1086.926069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.926069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.926069 (E_RNA) where: Base-Base interactions energy: -697.794 where: short stacking energy: -346.904 Base-Backbone interact. energy: -0.463 local terms energy: -388.669377 where: bonds (distance) C4'-P energy: -76.520 bonds (distance) P-C4' energy: -75.295 flat angles C4'-P-C4' energy: -84.435 flat angles P-C4'-P energy: -58.562 tors. eta vs tors. theta energy: -93.859 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: 2 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -990.446692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.446692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.446692 (E_RNA) where: Base-Base interactions energy: -636.237 where: short stacking energy: -299.841 Base-Backbone interact. energy: -1.293 local terms energy: -352.916130 where: bonds (distance) C4'-P energy: -63.843 bonds (distance) P-C4' energy: -83.593 flat angles C4'-P-C4' energy: -81.882 flat angles P-C4'-P energy: -55.443 tors. eta vs tors. theta energy: -68.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -977.402099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.402099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.402099 (E_RNA) where: Base-Base interactions energy: -652.304 where: short stacking energy: -273.855 Base-Backbone interact. energy: 1.352 local terms energy: -326.450048 where: bonds (distance) C4'-P energy: -67.512 bonds (distance) P-C4' energy: -74.886 flat angles C4'-P-C4' energy: -76.479 flat angles P-C4'-P energy: -41.774 tors. eta vs tors. theta energy: -65.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -754.715911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.715911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.715911 (E_RNA) where: Base-Base interactions energy: -440.453 where: short stacking energy: -215.561 Base-Backbone interact. energy: -1.755 local terms energy: -312.508012 where: bonds (distance) C4'-P energy: -75.274 bonds (distance) P-C4' energy: -84.398 flat angles C4'-P-C4' energy: -66.570 flat angles P-C4'-P energy: -46.434 tors. eta vs tors. theta energy: -39.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -648.047130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.047130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.047130 (E_RNA) where: Base-Base interactions energy: -374.059 where: short stacking energy: -176.452 Base-Backbone interact. energy: -1.245 local terms energy: -272.743120 where: bonds (distance) C4'-P energy: -70.393 bonds (distance) P-C4' energy: -81.327 flat angles C4'-P-C4' energy: -66.669 flat angles P-C4'-P energy: -31.273 tors. eta vs tors. theta energy: -23.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -573.875740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.875740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.875740 (E_RNA) where: Base-Base interactions energy: -320.360 where: short stacking energy: -168.060 Base-Backbone interact. energy: 1.692 local terms energy: -255.208236 where: bonds (distance) C4'-P energy: -67.114 bonds (distance) P-C4' energy: -72.598 flat angles C4'-P-C4' energy: -65.075 flat angles P-C4'-P energy: -29.183 tors. eta vs tors. theta energy: -21.238 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: 5 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -467.049189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.049189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.049189 (E_RNA) where: Base-Base interactions energy: -223.084 where: short stacking energy: -138.532 Base-Backbone interact. energy: -1.253 local terms energy: -242.711697 where: bonds (distance) C4'-P energy: -80.589 bonds (distance) P-C4' energy: -59.009 flat angles C4'-P-C4' energy: -61.940 flat angles P-C4'-P energy: -39.557 tors. eta vs tors. theta energy: -1.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -345.992473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.992473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.992473 (E_RNA) where: Base-Base interactions energy: -122.839 where: short stacking energy: -100.135 Base-Backbone interact. energy: -1.226 local terms energy: -221.927961 where: bonds (distance) C4'-P energy: -68.496 bonds (distance) P-C4' energy: -68.952 flat angles C4'-P-C4' energy: -60.383 flat angles P-C4'-P energy: -24.484 tors. eta vs tors. theta energy: 0.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1308.178174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.178174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.178174 (E_RNA) where: Base-Base interactions energy: -880.198 where: short stacking energy: -401.728 Base-Backbone interact. energy: -0.572 local terms energy: -427.407985 where: bonds (distance) C4'-P energy: -68.876 bonds (distance) P-C4' energy: -81.947 flat angles C4'-P-C4' energy: -93.164 flat angles P-C4'-P energy: -69.550 tors. eta vs tors. theta energy: -113.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1169.777600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.777600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.777600 (E_RNA) where: Base-Base interactions energy: -765.796 where: short stacking energy: -343.491 Base-Backbone interact. energy: -2.549 local terms energy: -401.432537 where: bonds (distance) C4'-P energy: -80.719 bonds (distance) P-C4' energy: -87.545 flat angles C4'-P-C4' energy: -88.938 flat angles P-C4'-P energy: -57.307 tors. eta vs tors. theta energy: -86.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1072.931412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.931412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.931412 (E_RNA) where: Base-Base interactions energy: -696.080 where: short stacking energy: -346.306 Base-Backbone interact. energy: -0.058 local terms energy: -376.793163 where: bonds (distance) C4'-P energy: -67.817 bonds (distance) P-C4' energy: -79.412 flat angles C4'-P-C4' energy: -78.852 flat angles P-C4'-P energy: -55.952 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: 4, replica: 2 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1048.959724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.959724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.959724 (E_RNA) where: Base-Base interactions energy: -654.191 where: short stacking energy: -296.297 Base-Backbone interact. energy: -2.371 local terms energy: -392.397641 where: bonds (distance) C4'-P energy: -85.355 bonds (distance) P-C4' energy: -79.099 flat angles C4'-P-C4' energy: -85.694 flat angles P-C4'-P energy: -61.827 tors. eta vs tors. theta energy: -80.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -992.930021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.930021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.930021 (E_RNA) where: Base-Base interactions energy: -653.734 where: short stacking energy: -289.010 Base-Backbone interact. energy: 0.911 local terms energy: -340.106854 where: bonds (distance) C4'-P energy: -71.198 bonds (distance) P-C4' energy: -66.930 flat angles C4'-P-C4' energy: -72.469 flat angles P-C4'-P energy: -49.863 tors. eta vs tors. theta energy: -79.646 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: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -807.974824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.974824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.974824 (E_RNA) where: Base-Base interactions energy: -502.957 where: short stacking energy: -245.976 Base-Backbone interact. energy: -1.490 local terms energy: -303.527249 where: bonds (distance) C4'-P energy: -65.017 bonds (distance) P-C4' energy: -72.680 flat angles C4'-P-C4' energy: -72.602 flat angles P-C4'-P energy: -36.503 tors. eta vs tors. theta energy: -56.725 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: 72 Temperature: 1.200000 Total energy: -605.331760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.331760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.331760 (E_RNA) where: Base-Base interactions energy: -343.399 where: short stacking energy: -170.777 Base-Backbone interact. energy: -1.668 local terms energy: -260.264937 where: bonds (distance) C4'-P energy: -63.247 bonds (distance) P-C4' energy: -70.739 flat angles C4'-P-C4' energy: -61.299 flat angles P-C4'-P energy: -38.832 tors. eta vs tors. theta energy: -26.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -531.370770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.370770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.370770 (E_RNA) where: Base-Base interactions energy: -258.513 where: short stacking energy: -136.348 Base-Backbone interact. energy: -1.310 local terms energy: -271.547900 where: bonds (distance) C4'-P energy: -84.780 bonds (distance) P-C4' energy: -65.555 flat angles C4'-P-C4' energy: -71.615 flat angles P-C4'-P energy: -39.182 tors. eta vs tors. theta energy: -10.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -456.350957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.350957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.350957 (E_RNA) where: Base-Base interactions energy: -214.984 where: short stacking energy: -126.257 Base-Backbone interact. energy: -1.332 local terms energy: -240.035530 where: bonds (distance) C4'-P energy: -66.222 bonds (distance) P-C4' energy: -73.283 flat angles C4'-P-C4' energy: -49.992 flat angles P-C4'-P energy: -44.323 tors. eta vs tors. theta energy: -6.215 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: 72 Temperature: 1.350000 Total energy: -338.462440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.462440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.462440 (E_RNA) where: Base-Base interactions energy: -126.182 where: short stacking energy: -107.078 Base-Backbone interact. energy: -1.934 local terms energy: -210.346102 where: bonds (distance) C4'-P energy: -66.790 bonds (distance) P-C4' energy: -79.050 flat angles C4'-P-C4' energy: -41.801 flat angles P-C4'-P energy: -28.303 tors. eta vs tors. theta energy: 5.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1327.567971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.567971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.567971 (E_RNA) where: Base-Base interactions energy: -891.655 where: short stacking energy: -398.617 Base-Backbone interact. energy: -0.072 local terms energy: -435.840949 where: bonds (distance) C4'-P energy: -83.241 bonds (distance) P-C4' energy: -81.381 flat angles C4'-P-C4' energy: -89.896 flat angles P-C4'-P energy: -59.103 tors. eta vs tors. theta energy: -122.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1158.910035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.910035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.910035 (E_RNA) where: Base-Base interactions energy: -763.102 where: short stacking energy: -358.907 Base-Backbone interact. energy: -2.842 local terms energy: -392.966529 where: bonds (distance) C4'-P energy: -75.342 bonds (distance) P-C4' energy: -72.270 flat angles C4'-P-C4' energy: -90.958 flat angles P-C4'-P energy: -57.575 tors. eta vs tors. theta energy: -96.821 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: 9 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1067.245725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.245725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.245725 (E_RNA) where: Base-Base interactions energy: -680.562 where: short stacking energy: -325.226 Base-Backbone interact. energy: 0.075 local terms energy: -386.758723 where: bonds (distance) C4'-P energy: -79.642 bonds (distance) P-C4' energy: -79.521 flat angles C4'-P-C4' energy: -81.751 flat angles P-C4'-P energy: -59.562 tors. eta vs tors. theta energy: -86.282 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: 2 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1042.235171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.235171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.235171 (E_RNA) where: Base-Base interactions energy: -689.845 where: short stacking energy: -316.506 Base-Backbone interact. energy: -0.667 local terms energy: -351.723205 where: bonds (distance) C4'-P energy: -66.538 bonds (distance) P-C4' energy: -77.524 flat angles C4'-P-C4' energy: -92.834 flat angles P-C4'-P energy: -40.147 tors. eta vs tors. theta energy: -74.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1002.935793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.935793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.935793 (E_RNA) where: Base-Base interactions energy: -642.133 where: short stacking energy: -280.998 Base-Backbone interact. energy: -2.493 local terms energy: -358.308986 where: bonds (distance) C4'-P energy: -82.644 bonds (distance) P-C4' energy: -58.182 flat angles C4'-P-C4' energy: -83.649 flat angles P-C4'-P energy: -45.632 tors. eta vs tors. theta energy: -88.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -771.405415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.405415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.405415 (E_RNA) where: Base-Base interactions energy: -461.263 where: short stacking energy: -242.503 Base-Backbone interact. energy: -2.123 local terms energy: -308.019326 where: bonds (distance) C4'-P energy: -61.726 bonds (distance) P-C4' energy: -74.311 flat angles C4'-P-C4' energy: -64.423 flat angles P-C4'-P energy: -53.492 tors. eta vs tors. theta energy: -54.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -603.223578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.223578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.223578 (E_RNA) where: Base-Base interactions energy: -356.750 where: short stacking energy: -196.809 Base-Backbone interact. energy: 0.231 local terms energy: -246.704927 where: bonds (distance) C4'-P energy: -63.411 bonds (distance) P-C4' energy: -53.332 flat angles C4'-P-C4' energy: -68.241 flat angles P-C4'-P energy: -32.621 tors. eta vs tors. theta energy: -29.100 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: 1 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -546.626371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.626371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.626371 (E_RNA) where: Base-Base interactions energy: -286.578 where: short stacking energy: -174.700 Base-Backbone interact. energy: -1.684 local terms energy: -258.364406 where: bonds (distance) C4'-P energy: -68.727 bonds (distance) P-C4' energy: -59.122 flat angles C4'-P-C4' energy: -66.561 flat angles P-C4'-P energy: -39.423 tors. eta vs tors. theta energy: -24.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -476.671127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.671127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.671127 (E_RNA) where: Base-Base interactions energy: -248.017 where: short stacking energy: -149.180 Base-Backbone interact. energy: -0.272 local terms energy: -228.381641 where: bonds (distance) C4'-P energy: -57.147 bonds (distance) P-C4' energy: -61.925 flat angles C4'-P-C4' energy: -70.705 flat angles P-C4'-P energy: -28.953 tors. eta vs tors. theta energy: -9.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -338.459187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.459187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.459187 (E_RNA) where: Base-Base interactions energy: -127.626 where: short stacking energy: -105.442 Base-Backbone interact. energy: -0.706 local terms energy: -210.127169 where: bonds (distance) C4'-P energy: -61.864 bonds (distance) P-C4' energy: -75.097 flat angles C4'-P-C4' energy: -57.599 flat angles P-C4'-P energy: -22.206 tors. eta vs tors. theta energy: 6.638 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: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1322.101046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.101046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.101046 (E_RNA) where: Base-Base interactions energy: -901.624 where: short stacking energy: -410.388 Base-Backbone interact. energy: -0.252 local terms energy: -420.225196 where: bonds (distance) C4'-P energy: -76.511 bonds (distance) P-C4' energy: -88.898 flat angles C4'-P-C4' energy: -83.475 flat angles P-C4'-P energy: -47.493 tors. eta vs tors. theta energy: -123.849 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: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1183.014661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.014661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.014661 (E_RNA) where: Base-Base interactions energy: -777.609 where: short stacking energy: -335.379 Base-Backbone interact. energy: -1.100 local terms energy: -404.305847 where: bonds (distance) C4'-P energy: -81.199 bonds (distance) P-C4' energy: -77.413 flat angles C4'-P-C4' energy: -87.419 flat angles P-C4'-P energy: -55.859 tors. eta vs tors. theta energy: -102.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1098.984946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.984946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.984946 (E_RNA) where: Base-Base interactions energy: -717.314 where: short stacking energy: -323.749 Base-Backbone interact. energy: -0.469 local terms energy: -381.201811 where: bonds (distance) C4'-P energy: -78.187 bonds (distance) P-C4' energy: -88.567 flat angles C4'-P-C4' energy: -75.489 flat angles P-C4'-P energy: -52.236 tors. eta vs tors. theta energy: -86.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1049.535200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.535200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.535200 (E_RNA) where: Base-Base interactions energy: -667.686 where: short stacking energy: -340.957 Base-Backbone interact. energy: 0.976 local terms energy: -382.825138 where: bonds (distance) C4'-P energy: -78.298 bonds (distance) P-C4' energy: -73.050 flat angles C4'-P-C4' energy: -80.057 flat angles P-C4'-P energy: -48.356 tors. eta vs tors. theta energy: -103.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1001.433614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.433614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.433614 (E_RNA) where: Base-Base interactions energy: -623.974 where: short stacking energy: -291.091 Base-Backbone interact. energy: -1.837 local terms energy: -375.622372 where: bonds (distance) C4'-P energy: -71.885 bonds (distance) P-C4' energy: -73.181 flat angles C4'-P-C4' energy: -88.730 flat angles P-C4'-P energy: -60.148 tors. eta vs tors. theta energy: -81.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -808.644072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.644072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.644072 (E_RNA) where: Base-Base interactions energy: -489.680 where: short stacking energy: -245.892 Base-Backbone interact. energy: -1.907 local terms energy: -317.056387 where: bonds (distance) C4'-P energy: -70.813 bonds (distance) P-C4' energy: -69.829 flat angles C4'-P-C4' energy: -79.579 flat angles P-C4'-P energy: -41.542 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: 7, replica: 1 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -586.884785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.884785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.884785 (E_RNA) where: Base-Base interactions energy: -294.601 where: short stacking energy: -180.527 Base-Backbone interact. energy: -0.285 local terms energy: -291.998054 where: bonds (distance) C4'-P energy: -75.681 bonds (distance) P-C4' energy: -82.193 flat angles C4'-P-C4' energy: -72.186 flat angles P-C4'-P energy: -36.739 tors. eta vs tors. theta energy: -25.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -574.319253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.319253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.319253 (E_RNA) where: Base-Base interactions energy: -311.348 where: short stacking energy: -154.027 Base-Backbone interact. energy: -0.393 local terms energy: -262.577978 where: bonds (distance) C4'-P energy: -58.314 bonds (distance) P-C4' energy: -80.082 flat angles C4'-P-C4' energy: -62.179 flat angles P-C4'-P energy: -31.960 tors. eta vs tors. theta energy: -30.044 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: 9, replica: 5 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -548.252934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.252934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.252934 (E_RNA) where: Base-Base interactions energy: -302.158 where: short stacking energy: -150.417 Base-Backbone interact. energy: -2.255 local terms energy: -243.839535 where: bonds (distance) C4'-P energy: -66.116 bonds (distance) P-C4' energy: -59.069 flat angles C4'-P-C4' energy: -64.533 flat angles P-C4'-P energy: -34.249 tors. eta vs tors. theta energy: -19.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -328.821457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.821457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.821457 (E_RNA) where: Base-Base interactions energy: -135.660 where: short stacking energy: -111.108 Base-Backbone interact. energy: -0.036 local terms energy: -193.125233 where: bonds (distance) C4'-P energy: -58.896 bonds (distance) P-C4' energy: -66.692 flat angles C4'-P-C4' energy: -55.642 flat angles P-C4'-P energy: -25.500 tors. eta vs tors. theta energy: 13.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1349.938017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.938017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.938017 (E_RNA) where: Base-Base interactions energy: -912.519 where: short stacking energy: -427.016 Base-Backbone interact. energy: -0.723 local terms energy: -436.695892 where: bonds (distance) C4'-P energy: -82.815 bonds (distance) P-C4' energy: -68.386 flat angles C4'-P-C4' energy: -93.075 flat angles P-C4'-P energy: -65.003 tors. eta vs tors. theta energy: -127.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1186.285957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.285957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.285957 (E_RNA) where: Base-Base interactions energy: -791.196 where: short stacking energy: -314.609 Base-Backbone interact. energy: 2.504 local terms energy: -397.594069 where: bonds (distance) C4'-P energy: -77.747 bonds (distance) P-C4' energy: -80.079 flat angles C4'-P-C4' energy: -74.281 flat angles P-C4'-P energy: -65.831 tors. eta vs tors. theta energy: -99.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1119.060925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.060925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.060925 (E_RNA) where: Base-Base interactions energy: -723.786 where: short stacking energy: -346.864 Base-Backbone interact. energy: -0.577 local terms energy: -394.697722 where: bonds (distance) C4'-P energy: -65.664 bonds (distance) P-C4' energy: -90.798 flat angles C4'-P-C4' energy: -80.477 flat angles P-C4'-P energy: -61.492 tors. eta vs tors. theta energy: -96.267 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: 4, replica: 9 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1040.059710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.059710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.059710 (E_RNA) where: Base-Base interactions energy: -682.996 where: short stacking energy: -319.888 Base-Backbone interact. energy: -1.803 local terms energy: -355.260042 where: bonds (distance) C4'-P energy: -66.052 bonds (distance) P-C4' energy: -74.396 flat angles C4'-P-C4' energy: -86.132 flat angles P-C4'-P energy: -40.129 tors. eta vs tors. theta energy: -88.552 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: 75 Temperature: 1.100000 Total energy: -985.336229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.336229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.336229 (E_RNA) where: Base-Base interactions energy: -633.548 where: short stacking energy: -317.801 Base-Backbone interact. energy: 0.666 local terms energy: -352.454488 where: bonds (distance) C4'-P energy: -81.706 bonds (distance) P-C4' energy: -63.305 flat angles C4'-P-C4' energy: -80.391 flat angles P-C4'-P energy: -33.719 tors. eta vs tors. theta energy: -93.334 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: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -801.969941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.969941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.969941 (E_RNA) where: Base-Base interactions energy: -475.078 where: short stacking energy: -228.618 Base-Backbone interact. energy: -0.326 local terms energy: -326.565968 where: bonds (distance) C4'-P energy: -67.429 bonds (distance) P-C4' energy: -86.436 flat angles C4'-P-C4' energy: -71.825 flat angles P-C4'-P energy: -49.404 tors. eta vs tors. theta energy: -51.472 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: 7, replica: 1 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -622.329392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.329392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.329392 (E_RNA) where: Base-Base interactions energy: -348.044 where: short stacking energy: -196.021 Base-Backbone interact. energy: 0.615 local terms energy: -274.900145 where: bonds (distance) C4'-P energy: -64.556 bonds (distance) P-C4' energy: -84.436 flat angles C4'-P-C4' energy: -55.349 flat angles P-C4'-P energy: -36.708 tors. eta vs tors. theta energy: -33.851 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: 3 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -544.047072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.047072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.047072 (E_RNA) where: Base-Base interactions energy: -277.248 where: short stacking energy: -160.211 Base-Backbone interact. energy: 1.104 local terms energy: -267.903123 where: bonds (distance) C4'-P energy: -75.115 bonds (distance) P-C4' energy: -67.877 flat angles C4'-P-C4' energy: -58.143 flat angles P-C4'-P energy: -40.753 tors. eta vs tors. theta energy: -26.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -492.477917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.477917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.477917 (E_RNA) where: Base-Base interactions energy: -245.890 where: short stacking energy: -146.785 Base-Backbone interact. energy: -0.234 local terms energy: -246.353778 where: bonds (distance) C4'-P energy: -67.344 bonds (distance) P-C4' energy: -68.758 flat angles C4'-P-C4' energy: -63.091 flat angles P-C4'-P energy: -42.832 tors. eta vs tors. theta energy: -4.328 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: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -319.398615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.398615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.398615 (E_RNA) where: Base-Base interactions energy: -108.173 where: short stacking energy: -92.740 Base-Backbone interact. energy: 1.056 local terms energy: -212.281378 where: bonds (distance) C4'-P energy: -65.707 bonds (distance) P-C4' energy: -76.924 flat angles C4'-P-C4' energy: -61.275 flat angles P-C4'-P energy: -15.167 tors. eta vs tors. theta energy: 6.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1376.255580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.255580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.255580 (E_RNA) where: Base-Base interactions energy: -942.989 where: short stacking energy: -418.830 Base-Backbone interact. energy: 0.074 local terms energy: -433.339666 where: bonds (distance) C4'-P energy: -77.982 bonds (distance) P-C4' energy: -74.060 flat angles C4'-P-C4' energy: -88.585 flat angles P-C4'-P energy: -68.767 tors. eta vs tors. theta energy: -123.946 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: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1128.850912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.850912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.850912 (E_RNA) where: Base-Base interactions energy: -758.708 where: short stacking energy: -331.180 Base-Backbone interact. energy: -4.539 local terms energy: -365.603854 where: bonds (distance) C4'-P energy: -67.156 bonds (distance) P-C4' energy: -85.305 flat angles C4'-P-C4' energy: -71.330 flat angles P-C4'-P energy: -52.308 tors. eta vs tors. theta energy: -89.505 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: 3, replica: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1130.790245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.790245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.790245 (E_RNA) where: Base-Base interactions energy: -748.351 where: short stacking energy: -337.203 Base-Backbone interact. energy: 2.305 local terms energy: -384.744486 where: bonds (distance) C4'-P energy: -75.248 bonds (distance) P-C4' energy: -81.680 flat angles C4'-P-C4' energy: -85.090 flat angles P-C4'-P energy: -52.606 tors. eta vs tors. theta energy: -90.121 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: 9 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1066.379133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.379133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.379133 (E_RNA) where: Base-Base interactions energy: -699.266 where: short stacking energy: -341.470 Base-Backbone interact. energy: -0.216 local terms energy: -366.897426 where: bonds (distance) C4'-P energy: -73.385 bonds (distance) P-C4' energy: -77.456 flat angles C4'-P-C4' energy: -76.477 flat angles P-C4'-P energy: -46.380 tors. eta vs tors. theta energy: -93.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -959.653301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.653301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.653301 (E_RNA) where: Base-Base interactions energy: -602.312 where: short stacking energy: -287.507 Base-Backbone interact. energy: -0.920 local terms energy: -356.421104 where: bonds (distance) C4'-P energy: -64.033 bonds (distance) P-C4' energy: -73.926 flat angles C4'-P-C4' energy: -86.242 flat angles P-C4'-P energy: -51.649 tors. eta vs tors. theta energy: -80.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -754.556571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.556571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.556571 (E_RNA) where: Base-Base interactions energy: -466.902 where: short stacking energy: -211.532 Base-Backbone interact. energy: -0.893 local terms energy: -286.761590 where: bonds (distance) C4'-P energy: -71.723 bonds (distance) P-C4' energy: -77.374 flat angles C4'-P-C4' energy: -65.071 flat angles P-C4'-P energy: -36.342 tors. eta vs tors. theta energy: -36.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -642.160417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.160417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.160417 (E_RNA) where: Base-Base interactions energy: -367.826 where: short stacking energy: -221.501 Base-Backbone interact. energy: -0.908 local terms energy: -273.425909 where: bonds (distance) C4'-P energy: -63.978 bonds (distance) P-C4' energy: -72.844 flat angles C4'-P-C4' energy: -69.254 flat angles P-C4'-P energy: -32.732 tors. eta vs tors. theta energy: -34.619 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: 3 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -462.994397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.994397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.994397 (E_RNA) where: Base-Base interactions energy: -187.507 where: short stacking energy: -110.064 Base-Backbone interact. energy: -2.651 local terms energy: -272.836663 where: bonds (distance) C4'-P energy: -69.902 bonds (distance) P-C4' energy: -65.144 flat angles C4'-P-C4' energy: -72.938 flat angles P-C4'-P energy: -53.198 tors. eta vs tors. theta energy: -11.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -357.512946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.512946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.512946 (E_RNA) where: Base-Base interactions energy: -132.032 where: short stacking energy: -116.007 Base-Backbone interact. energy: 1.453 local terms energy: -226.933794 where: bonds (distance) C4'-P energy: -68.667 bonds (distance) P-C4' energy: -53.734 flat angles C4'-P-C4' energy: -54.058 flat angles P-C4'-P energy: -46.574 tors. eta vs tors. theta energy: -3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -481.093155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.093155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.093155 (E_RNA) where: Base-Base interactions energy: -251.742 where: short stacking energy: -144.434 Base-Backbone interact. energy: 3.145 local terms energy: -232.496224 where: bonds (distance) C4'-P energy: -64.286 bonds (distance) P-C4' energy: -59.235 flat angles C4'-P-C4' energy: -60.951 flat angles P-C4'-P energy: -38.596 tors. eta vs tors. theta energy: -9.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1344.708875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.708875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.708875 (E_RNA) where: Base-Base interactions energy: -912.357 where: short stacking energy: -411.390 Base-Backbone interact. energy: -0.985 local terms energy: -431.366610 where: bonds (distance) C4'-P energy: -65.858 bonds (distance) P-C4' energy: -87.883 flat angles C4'-P-C4' energy: -92.846 flat angles P-C4'-P energy: -62.155 tors. eta vs tors. theta energy: -122.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1154.051618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.051618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.051618 (E_RNA) where: Base-Base interactions energy: -769.267 where: short stacking energy: -352.363 Base-Backbone interact. energy: -0.577 local terms energy: -384.207185 where: bonds (distance) C4'-P energy: -79.724 bonds (distance) P-C4' energy: -73.003 flat angles C4'-P-C4' energy: -77.979 flat angles P-C4'-P energy: -52.247 tors. eta vs tors. theta energy: -101.254 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: 2 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1117.342401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.342401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.342401 (E_RNA) where: Base-Base interactions energy: -733.147 where: short stacking energy: -321.506 Base-Backbone interact. energy: 1.002 local terms energy: -385.197641 where: bonds (distance) C4'-P energy: -69.892 bonds (distance) P-C4' energy: -78.837 flat angles C4'-P-C4' energy: -79.957 flat angles P-C4'-P energy: -71.137 tors. eta vs tors. theta energy: -85.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1062.875930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.875930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.875930 (E_RNA) where: Base-Base interactions energy: -690.455 where: short stacking energy: -320.071 Base-Backbone interact. energy: -0.342 local terms energy: -372.078527 where: bonds (distance) C4'-P energy: -62.846 bonds (distance) P-C4' energy: -87.132 flat angles C4'-P-C4' energy: -86.901 flat angles P-C4'-P energy: -45.199 tors. eta vs tors. theta energy: -90.000 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: 4 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -973.949136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.949136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.949136 (E_RNA) where: Base-Base interactions energy: -624.353 where: short stacking energy: -308.207 Base-Backbone interact. energy: 0.128 local terms energy: -349.724071 where: bonds (distance) C4'-P energy: -62.233 bonds (distance) P-C4' energy: -71.857 flat angles C4'-P-C4' energy: -73.439 flat angles P-C4'-P energy: -54.344 tors. eta vs tors. theta energy: -87.851 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: 6 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -760.647822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.647822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.647822 (E_RNA) where: Base-Base interactions energy: -446.453 where: short stacking energy: -233.597 Base-Backbone interact. energy: 1.332 local terms energy: -315.526584 where: bonds (distance) C4'-P energy: -71.192 bonds (distance) P-C4' energy: -80.621 flat angles C4'-P-C4' energy: -63.405 flat angles P-C4'-P energy: -46.387 tors. eta vs tors. theta energy: -53.922 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: 7, replica: 1 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -647.946477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.946477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.946477 (E_RNA) where: Base-Base interactions energy: -365.146 where: short stacking energy: -169.793 Base-Backbone interact. energy: -1.622 local terms energy: -281.178402 where: bonds (distance) C4'-P energy: -75.956 bonds (distance) P-C4' energy: -70.541 flat angles C4'-P-C4' energy: -71.730 flat angles P-C4'-P energy: -42.390 tors. eta vs tors. theta energy: -20.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -383.260444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.260444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.260444 (E_RNA) where: Base-Base interactions energy: -132.380 where: short stacking energy: -129.749 Base-Backbone interact. energy: 1.660 local terms energy: -252.540822 where: bonds (distance) C4'-P energy: -72.667 bonds (distance) P-C4' energy: -80.871 flat angles C4'-P-C4' energy: -71.178 flat angles P-C4'-P energy: -22.005 tors. eta vs tors. theta energy: -5.819 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: 3 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -422.170260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.170260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.170260 (E_RNA) where: Base-Base interactions energy: -201.687 where: short stacking energy: -116.729 Base-Backbone interact. energy: -1.175 local terms energy: -219.308278 where: bonds (distance) C4'-P energy: -71.034 bonds (distance) P-C4' energy: -69.778 flat angles C4'-P-C4' energy: -65.206 flat angles P-C4'-P energy: -24.322 tors. eta vs tors. theta energy: 11.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -459.211480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.211480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.211480 (E_RNA) where: Base-Base interactions energy: -244.894 where: short stacking energy: -124.370 Base-Backbone interact. energy: -1.312 local terms energy: -213.004932 where: bonds (distance) C4'-P energy: -74.275 bonds (distance) P-C4' energy: -64.059 flat angles C4'-P-C4' energy: -54.966 flat angles P-C4'-P energy: -22.219 tors. eta vs tors. theta energy: 2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1362.003922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.003922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.003922 (E_RNA) where: Base-Base interactions energy: -934.698 where: short stacking energy: -427.137 Base-Backbone interact. energy: 1.486 local terms energy: -428.792039 where: bonds (distance) C4'-P energy: -70.128 bonds (distance) P-C4' energy: -81.160 flat angles C4'-P-C4' energy: -89.769 flat angles P-C4'-P energy: -58.948 tors. eta vs tors. theta energy: -128.787 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: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1173.736759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.736759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.736759 (E_RNA) where: Base-Base interactions energy: -793.705 where: short stacking energy: -343.093 Base-Backbone interact. energy: -1.525 local terms energy: -378.507593 where: bonds (distance) C4'-P energy: -69.344 bonds (distance) P-C4' energy: -84.810 flat angles C4'-P-C4' energy: -79.551 flat angles P-C4'-P energy: -52.014 tors. eta vs tors. theta energy: -92.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1142.612704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.612704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.612704 (E_RNA) where: Base-Base interactions energy: -745.611 where: short stacking energy: -334.782 Base-Backbone interact. energy: -0.962 local terms energy: -396.039503 where: bonds (distance) C4'-P energy: -71.656 bonds (distance) P-C4' energy: -78.698 flat angles C4'-P-C4' energy: -91.272 flat angles P-C4'-P energy: -61.112 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: 4, replica: 2 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1094.959568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.959568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.959568 (E_RNA) where: Base-Base interactions energy: -713.409 where: short stacking energy: -341.139 Base-Backbone interact. energy: -0.604 local terms energy: -380.946913 where: bonds (distance) C4'-P energy: -73.970 bonds (distance) P-C4' energy: -79.506 flat angles C4'-P-C4' energy: -82.459 flat angles P-C4'-P energy: -53.473 tors. eta vs tors. theta energy: -91.540 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: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1008.421238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.421238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.421238 (E_RNA) where: Base-Base interactions energy: -660.667 where: short stacking energy: -312.772 Base-Backbone interact. energy: 1.007 local terms energy: -348.761567 where: bonds (distance) C4'-P energy: -60.888 bonds (distance) P-C4' energy: -70.102 flat angles C4'-P-C4' energy: -78.948 flat angles P-C4'-P energy: -48.142 tors. eta vs tors. theta energy: -90.682 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: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -753.316066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.316066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.316066 (E_RNA) where: Base-Base interactions energy: -432.424 where: short stacking energy: -213.273 Base-Backbone interact. energy: -1.990 local terms energy: -318.901798 where: bonds (distance) C4'-P energy: -71.659 bonds (distance) P-C4' energy: -69.008 flat angles C4'-P-C4' energy: -80.393 flat angles P-C4'-P energy: -56.849 tors. eta vs tors. theta energy: -40.993 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: 1 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -628.200649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.200649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.200649 (E_RNA) where: Base-Base interactions energy: -360.527 where: short stacking energy: -181.890 Base-Backbone interact. energy: 2.461 local terms energy: -270.135265 where: bonds (distance) C4'-P energy: -74.959 bonds (distance) P-C4' energy: -66.312 flat angles C4'-P-C4' energy: -61.002 flat angles P-C4'-P energy: -40.041 tors. eta vs tors. theta energy: -27.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -386.117341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.117341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.117341 (E_RNA) where: Base-Base interactions energy: -140.703 where: short stacking energy: -105.504 Base-Backbone interact. energy: -1.429 local terms energy: -243.984982 where: bonds (distance) C4'-P energy: -60.195 bonds (distance) P-C4' energy: -74.287 flat angles C4'-P-C4' energy: -56.267 flat angles P-C4'-P energy: -50.238 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -479.352558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.352558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.352558 (E_RNA) where: Base-Base interactions energy: -255.695 where: short stacking energy: -157.185 Base-Backbone interact. energy: -1.465 local terms energy: -222.192691 where: bonds (distance) C4'-P energy: -72.283 bonds (distance) P-C4' energy: -55.013 flat angles C4'-P-C4' energy: -47.356 flat angles P-C4'-P energy: -38.813 tors. eta vs tors. theta energy: -8.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -409.417846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.417846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.417846 (E_RNA) where: Base-Base interactions energy: -200.885 where: short stacking energy: -114.018 Base-Backbone interact. energy: 1.860 local terms energy: -210.392486 where: bonds (distance) C4'-P energy: -55.753 bonds (distance) P-C4' energy: -65.812 flat angles C4'-P-C4' energy: -54.367 flat angles P-C4'-P energy: -33.570 tors. eta vs tors. theta energy: -0.890 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: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1372.209134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.209134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.209134 (E_RNA) where: Base-Base interactions energy: -925.148 where: short stacking energy: -451.388 Base-Backbone interact. energy: -2.104 local terms energy: -444.957849 where: bonds (distance) C4'-P energy: -85.242 bonds (distance) P-C4' energy: -82.458 flat angles C4'-P-C4' energy: -87.992 flat angles P-C4'-P energy: -49.846 tors. eta vs tors. theta energy: -139.420 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: 79 Temperature: 0.950000 Total energy: -1177.268268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.268268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.268268 (E_RNA) where: Base-Base interactions energy: -784.851 where: short stacking energy: -361.862 Base-Backbone interact. energy: -0.828 local terms energy: -391.589314 where: bonds (distance) C4'-P energy: -76.563 bonds (distance) P-C4' energy: -74.623 flat angles C4'-P-C4' energy: -86.799 flat angles P-C4'-P energy: -57.326 tors. eta vs tors. theta energy: -96.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1155.112372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.112372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.112372 (E_RNA) where: Base-Base interactions energy: -761.326 where: short stacking energy: -333.764 Base-Backbone interact. energy: -2.270 local terms energy: -391.516590 where: bonds (distance) C4'-P energy: -80.685 bonds (distance) P-C4' energy: -82.322 flat angles C4'-P-C4' energy: -84.409 flat angles P-C4'-P energy: -53.106 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: 4, replica: 2 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1055.153402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.153402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.153402 (E_RNA) where: Base-Base interactions energy: -688.367 where: short stacking energy: -307.511 Base-Backbone interact. energy: -0.920 local terms energy: -365.866636 where: bonds (distance) C4'-P energy: -64.939 bonds (distance) P-C4' energy: -79.358 flat angles C4'-P-C4' energy: -81.048 flat angles P-C4'-P energy: -51.588 tors. eta vs tors. theta energy: -88.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -984.957341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.957341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.957341 (E_RNA) where: Base-Base interactions energy: -642.436 where: short stacking energy: -302.123 Base-Backbone interact. energy: -0.993 local terms energy: -341.528660 where: bonds (distance) C4'-P energy: -54.195 bonds (distance) P-C4' energy: -76.764 flat angles C4'-P-C4' energy: -77.566 flat angles P-C4'-P energy: -52.871 tors. eta vs tors. theta energy: -80.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -767.409645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.409645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.409645 (E_RNA) where: Base-Base interactions energy: -443.188 where: short stacking energy: -228.485 Base-Backbone interact. energy: -0.284 local terms energy: -323.937565 where: bonds (distance) C4'-P energy: -76.840 bonds (distance) P-C4' energy: -73.344 flat angles C4'-P-C4' energy: -69.656 flat angles P-C4'-P energy: -45.282 tors. eta vs tors. theta energy: -58.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -680.033852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.033852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.033852 (E_RNA) where: Base-Base interactions energy: -384.187 where: short stacking energy: -192.476 Base-Backbone interact. energy: -1.520 local terms energy: -294.327255 where: bonds (distance) C4'-P energy: -60.723 bonds (distance) P-C4' energy: -81.437 flat angles C4'-P-C4' energy: -72.787 flat angles P-C4'-P energy: -51.823 tors. eta vs tors. theta energy: -27.557 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: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -497.393462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.393462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.393462 (E_RNA) where: Base-Base interactions energy: -252.253 where: short stacking energy: -147.367 Base-Backbone interact. energy: -1.228 local terms energy: -243.912476 where: bonds (distance) C4'-P energy: -70.795 bonds (distance) P-C4' energy: -66.112 flat angles C4'-P-C4' energy: -63.941 flat angles P-C4'-P energy: -42.400 tors. eta vs tors. theta energy: -0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -351.539649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.539649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.539649 (E_RNA) where: Base-Base interactions energy: -133.695 where: short stacking energy: -112.594 Base-Backbone interact. energy: -0.372 local terms energy: -217.472749 where: bonds (distance) C4'-P energy: -55.141 bonds (distance) P-C4' energy: -74.172 flat angles C4'-P-C4' energy: -51.269 flat angles P-C4'-P energy: -41.368 tors. eta vs tors. theta energy: 4.478 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: 3 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -316.841889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.841889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.841889 (E_RNA) where: Base-Base interactions energy: -134.552 where: short stacking energy: -110.415 Base-Backbone interact. energy: -1.065 local terms energy: -181.224640 where: bonds (distance) C4'-P energy: -64.966 bonds (distance) P-C4' energy: -59.650 flat angles C4'-P-C4' energy: -47.613 flat angles P-C4'-P energy: -25.469 tors. eta vs tors. theta energy: 16.474 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: 10 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1367.472446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.472446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.472446 (E_RNA) where: Base-Base interactions energy: -930.745 where: short stacking energy: -426.172 Base-Backbone interact. energy: 0.548 local terms energy: -437.275684 where: bonds (distance) C4'-P energy: -80.238 bonds (distance) P-C4' energy: -77.060 flat angles C4'-P-C4' energy: -90.420 flat angles P-C4'-P energy: -54.614 tors. eta vs tors. theta energy: -134.945 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: 80 Temperature: 0.950000 Total energy: -1189.901034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.901034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.901034 (E_RNA) where: Base-Base interactions energy: -785.926 where: short stacking energy: -369.237 Base-Backbone interact. energy: -1.354 local terms energy: -402.621425 where: bonds (distance) C4'-P energy: -75.409 bonds (distance) P-C4' energy: -79.089 flat angles C4'-P-C4' energy: -82.291 flat angles P-C4'-P energy: -62.293 tors. eta vs tors. theta energy: -103.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1135.702314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.702314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.702314 (E_RNA) where: Base-Base interactions energy: -762.522 where: short stacking energy: -337.399 Base-Backbone interact. energy: 1.106 local terms energy: -374.286098 where: bonds (distance) C4'-P energy: -85.727 bonds (distance) P-C4' energy: -77.623 flat angles C4'-P-C4' energy: -79.670 flat angles P-C4'-P energy: -48.701 tors. eta vs tors. theta energy: -82.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1038.507756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.507756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.507756 (E_RNA) where: Base-Base interactions energy: -674.367 where: short stacking energy: -316.034 Base-Backbone interact. energy: 1.117 local terms energy: -365.258124 where: bonds (distance) C4'-P energy: -78.005 bonds (distance) P-C4' energy: -69.932 flat angles C4'-P-C4' energy: -85.575 flat angles P-C4'-P energy: -49.574 tors. eta vs tors. theta energy: -82.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -985.879763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.879763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.879763 (E_RNA) where: Base-Base interactions energy: -648.036 where: short stacking energy: -313.761 Base-Backbone interact. energy: -1.709 local terms energy: -336.134873 where: bonds (distance) C4'-P energy: -56.465 bonds (distance) P-C4' energy: -78.773 flat angles C4'-P-C4' energy: -76.703 flat angles P-C4'-P energy: -44.327 tors. eta vs tors. theta energy: -79.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -740.054932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.054932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.054932 (E_RNA) where: Base-Base interactions energy: -439.203 where: short stacking energy: -212.112 Base-Backbone interact. energy: -2.240 local terms energy: -298.611980 where: bonds (distance) C4'-P energy: -70.949 bonds (distance) P-C4' energy: -76.675 flat angles C4'-P-C4' energy: -61.173 flat angles P-C4'-P energy: -53.626 tors. eta vs tors. theta energy: -36.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -665.948975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.948975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.948975 (E_RNA) where: Base-Base interactions energy: -393.135 where: short stacking energy: -209.585 Base-Backbone interact. energy: -0.022 local terms energy: -272.791598 where: bonds (distance) C4'-P energy: -65.422 bonds (distance) P-C4' energy: -73.423 flat angles C4'-P-C4' energy: -60.982 flat angles P-C4'-P energy: -46.397 tors. eta vs tors. theta energy: -26.567 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: 5 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -522.401074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.401074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.401074 (E_RNA) where: Base-Base interactions energy: -270.626 where: short stacking energy: -163.310 Base-Backbone interact. energy: -1.066 local terms energy: -250.709545 where: bonds (distance) C4'-P energy: -52.877 bonds (distance) P-C4' energy: -79.731 flat angles C4'-P-C4' energy: -71.622 flat angles P-C4'-P energy: -28.355 tors. eta vs tors. theta energy: -18.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -339.338000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.338000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.338000 (E_RNA) where: Base-Base interactions energy: -121.736 where: short stacking energy: -115.030 Base-Backbone interact. energy: -0.493 local terms energy: -217.108839 where: bonds (distance) C4'-P energy: -74.294 bonds (distance) P-C4' energy: -77.639 flat angles C4'-P-C4' energy: -45.617 flat angles P-C4'-P energy: -20.864 tors. eta vs tors. theta energy: 1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -358.407755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.407755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.407755 (E_RNA) where: Base-Base interactions energy: -142.661 where: short stacking energy: -116.255 Base-Backbone interact. energy: -0.405 local terms energy: -215.340918 where: bonds (distance) C4'-P energy: -65.037 bonds (distance) P-C4' energy: -67.403 flat angles C4'-P-C4' energy: -51.349 flat angles P-C4'-P energy: -38.816 tors. eta vs tors. theta energy: 7.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1356.201921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.201921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.201921 (E_RNA) where: Base-Base interactions energy: -929.186 where: short stacking energy: -422.770 Base-Backbone interact. energy: -0.661 local terms energy: -426.354932 where: bonds (distance) C4'-P energy: -87.767 bonds (distance) P-C4' energy: -68.328 flat angles C4'-P-C4' energy: -89.982 flat angles P-C4'-P energy: -53.090 tors. eta vs tors. theta energy: -127.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1172.030647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.030647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.030647 (E_RNA) where: Base-Base interactions energy: -780.234 where: short stacking energy: -370.913 Base-Backbone interact. energy: -0.537 local terms energy: -391.259792 where: bonds (distance) C4'-P energy: -79.547 bonds (distance) P-C4' energy: -64.861 flat angles C4'-P-C4' energy: -93.921 flat angles P-C4'-P energy: -50.127 tors. eta vs tors. theta energy: -102.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1138.998573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.998573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.998573 (E_RNA) where: Base-Base interactions energy: -759.089 where: short stacking energy: -341.078 Base-Backbone interact. energy: -2.206 local terms energy: -377.703404 where: bonds (distance) C4'-P energy: -73.587 bonds (distance) P-C4' energy: -81.661 flat angles C4'-P-C4' energy: -72.680 flat angles P-C4'-P energy: -55.437 tors. eta vs tors. theta energy: -94.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1011.941284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.941284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.941284 (E_RNA) where: Base-Base interactions energy: -658.054 where: short stacking energy: -301.054 Base-Backbone interact. energy: -2.751 local terms energy: -351.136407 where: bonds (distance) C4'-P energy: -79.247 bonds (distance) P-C4' energy: -70.436 flat angles C4'-P-C4' energy: -78.166 flat angles P-C4'-P energy: -38.953 tors. eta vs tors. theta energy: -84.335 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: 2 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1001.065331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.065331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.065331 (E_RNA) where: Base-Base interactions energy: -644.826 where: short stacking energy: -294.735 Base-Backbone interact. energy: -0.027 local terms energy: -356.212424 where: bonds (distance) C4'-P energy: -60.822 bonds (distance) P-C4' energy: -72.180 flat angles C4'-P-C4' energy: -87.777 flat angles P-C4'-P energy: -58.795 tors. eta vs tors. theta energy: -76.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -701.626061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.626061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.626061 (E_RNA) where: Base-Base interactions energy: -386.262 where: short stacking energy: -217.653 Base-Backbone interact. energy: -3.527 local terms energy: -311.836797 where: bonds (distance) C4'-P energy: -64.273 bonds (distance) P-C4' energy: -78.747 flat angles C4'-P-C4' energy: -79.740 flat angles P-C4'-P energy: -41.313 tors. eta vs tors. theta energy: -47.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -724.554204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.554204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.554204 (E_RNA) where: Base-Base interactions energy: -421.207 where: short stacking energy: -215.413 Base-Backbone interact. energy: 5.470 local terms energy: -308.816941 where: bonds (distance) C4'-P energy: -63.742 bonds (distance) P-C4' energy: -82.284 flat angles C4'-P-C4' energy: -68.319 flat angles P-C4'-P energy: -48.827 tors. eta vs tors. theta energy: -45.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -522.295369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.295369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.295369 (E_RNA) where: Base-Base interactions energy: -273.583 where: short stacking energy: -159.592 Base-Backbone interact. energy: -0.718 local terms energy: -247.994470 where: bonds (distance) C4'-P energy: -69.465 bonds (distance) P-C4' energy: -56.509 flat angles C4'-P-C4' energy: -58.167 flat angles P-C4'-P energy: -48.857 tors. eta vs tors. theta energy: -14.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -345.938920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.938920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.938920 (E_RNA) where: Base-Base interactions energy: -124.332 where: short stacking energy: -99.481 Base-Backbone interact. energy: 2.014 local terms energy: -223.620972 where: bonds (distance) C4'-P energy: -64.531 bonds (distance) P-C4' energy: -72.060 flat angles C4'-P-C4' energy: -62.280 flat angles P-C4'-P energy: -32.583 tors. eta vs tors. theta energy: 7.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -364.632059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.632059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.632059 (E_RNA) where: Base-Base interactions energy: -160.834 where: short stacking energy: -109.413 Base-Backbone interact. energy: 0.623 local terms energy: -204.420743 where: bonds (distance) C4'-P energy: -57.885 bonds (distance) P-C4' energy: -54.732 flat angles C4'-P-C4' energy: -58.311 flat angles P-C4'-P energy: -26.694 tors. eta vs tors. theta energy: -6.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1370.906795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.906795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.906795 (E_RNA) where: Base-Base interactions energy: -921.197 where: short stacking energy: -414.311 Base-Backbone interact. energy: -0.990 local terms energy: -448.720152 where: bonds (distance) C4'-P energy: -87.846 bonds (distance) P-C4' energy: -76.543 flat angles C4'-P-C4' energy: -93.190 flat angles P-C4'-P energy: -64.039 tors. eta vs tors. theta energy: -127.103 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: 82 Temperature: 0.950000 Total energy: -1169.537056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.537056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.537056 (E_RNA) where: Base-Base interactions energy: -766.669 where: short stacking energy: -369.497 Base-Backbone interact. energy: -0.889 local terms energy: -401.978989 where: bonds (distance) C4'-P energy: -82.228 bonds (distance) P-C4' energy: -81.074 flat angles C4'-P-C4' energy: -81.338 flat angles P-C4'-P energy: -58.741 tors. eta vs tors. theta energy: -98.598 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: 7 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1164.543852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.543852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.543852 (E_RNA) where: Base-Base interactions energy: -781.144 where: short stacking energy: -328.725 Base-Backbone interact. energy: -0.085 local terms energy: -383.315660 where: bonds (distance) C4'-P energy: -85.774 bonds (distance) P-C4' energy: -68.354 flat angles C4'-P-C4' energy: -84.406 flat angles P-C4'-P energy: -49.040 tors. eta vs tors. theta energy: -95.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -986.598127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.598127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.598127 (E_RNA) where: Base-Base interactions energy: -640.246 where: short stacking energy: -302.838 Base-Backbone interact. energy: -1.373 local terms energy: -344.979456 where: bonds (distance) C4'-P energy: -73.639 bonds (distance) P-C4' energy: -70.865 flat angles C4'-P-C4' energy: -78.030 flat angles P-C4'-P energy: -43.580 tors. eta vs tors. theta energy: -78.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1033.438805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.438805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.438805 (E_RNA) where: Base-Base interactions energy: -654.900 where: short stacking energy: -322.061 Base-Backbone interact. energy: 1.215 local terms energy: -379.753933 where: bonds (distance) C4'-P energy: -76.799 bonds (distance) P-C4' energy: -71.948 flat angles C4'-P-C4' energy: -88.866 flat angles P-C4'-P energy: -52.053 tors. eta vs tors. theta energy: -90.089 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: 1 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -721.386547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.386547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.386547 (E_RNA) where: Base-Base interactions energy: -404.932 where: short stacking energy: -236.572 Base-Backbone interact. energy: -0.534 local terms energy: -315.920855 where: bonds (distance) C4'-P energy: -79.068 bonds (distance) P-C4' energy: -67.074 flat angles C4'-P-C4' energy: -78.368 flat angles P-C4'-P energy: -44.803 tors. eta vs tors. theta energy: -46.608 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: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -723.356442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.356442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.356442 (E_RNA) where: Base-Base interactions energy: -432.779 where: short stacking energy: -220.527 Base-Backbone interact. energy: -1.428 local terms energy: -289.149195 where: bonds (distance) C4'-P energy: -73.731 bonds (distance) P-C4' energy: -67.356 flat angles C4'-P-C4' energy: -70.012 flat angles P-C4'-P energy: -32.684 tors. eta vs tors. theta energy: -45.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -524.243756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.243756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.243756 (E_RNA) where: Base-Base interactions energy: -270.763 where: short stacking energy: -180.433 Base-Backbone interact. energy: -0.442 local terms energy: -253.038307 where: bonds (distance) C4'-P energy: -64.991 bonds (distance) P-C4' energy: -63.436 flat angles C4'-P-C4' energy: -61.007 flat angles P-C4'-P energy: -38.289 tors. eta vs tors. theta energy: -25.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -375.524550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.524550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.524550 (E_RNA) where: Base-Base interactions energy: -149.184 where: short stacking energy: -97.304 Base-Backbone interact. energy: -0.155 local terms energy: -226.185012 where: bonds (distance) C4'-P energy: -61.753 bonds (distance) P-C4' energy: -60.452 flat angles C4'-P-C4' energy: -64.551 flat angles P-C4'-P energy: -43.078 tors. eta vs tors. theta energy: 3.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -333.211055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.211055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.211055 (E_RNA) where: Base-Base interactions energy: -129.708 where: short stacking energy: -93.033 Base-Backbone interact. energy: 2.130 local terms energy: -205.633522 where: bonds (distance) C4'-P energy: -61.865 bonds (distance) P-C4' energy: -76.519 flat angles C4'-P-C4' energy: -56.140 flat angles P-C4'-P energy: -33.048 tors. eta vs tors. theta energy: 21.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1373.988960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.988960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.988960 (E_RNA) where: Base-Base interactions energy: -944.189 where: short stacking energy: -419.326 Base-Backbone interact. energy: -0.603 local terms energy: -429.196900 where: bonds (distance) C4'-P energy: -79.612 bonds (distance) P-C4' energy: -70.775 flat angles C4'-P-C4' energy: -91.542 flat angles P-C4'-P energy: -56.657 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: 2, replica: 7 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1220.931587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.931587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.931587 (E_RNA) where: Base-Base interactions energy: -848.611 where: short stacking energy: -351.256 Base-Backbone interact. energy: -2.969 local terms energy: -369.351675 where: bonds (distance) C4'-P energy: -80.881 bonds (distance) P-C4' energy: -73.152 flat angles C4'-P-C4' energy: -78.938 flat angles P-C4'-P energy: -48.757 tors. eta vs tors. theta energy: -87.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1137.691088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.691088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.691088 (E_RNA) where: Base-Base interactions energy: -729.447 where: short stacking energy: -342.273 Base-Backbone interact. energy: -1.038 local terms energy: -407.205944 where: bonds (distance) C4'-P energy: -70.342 bonds (distance) P-C4' energy: -90.979 flat angles C4'-P-C4' energy: -87.910 flat angles P-C4'-P energy: -54.813 tors. eta vs tors. theta energy: -103.163 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: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1057.064006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.064006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.064006 (E_RNA) where: Base-Base interactions energy: -690.161 where: short stacking energy: -310.911 Base-Backbone interact. energy: 0.654 local terms energy: -367.557355 where: bonds (distance) C4'-P energy: -75.800 bonds (distance) P-C4' energy: -76.181 flat angles C4'-P-C4' energy: -84.857 flat angles P-C4'-P energy: -46.129 tors. eta vs tors. theta energy: -84.591 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: 4 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -949.380413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.380413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.380413 (E_RNA) where: Base-Base interactions energy: -613.593 where: short stacking energy: -295.793 Base-Backbone interact. energy: -1.762 local terms energy: -334.025246 where: bonds (distance) C4'-P energy: -75.403 bonds (distance) P-C4' energy: -70.075 flat angles C4'-P-C4' energy: -75.174 flat angles P-C4'-P energy: -38.706 tors. eta vs tors. theta energy: -74.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -796.793573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.793573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.793573 (E_RNA) where: Base-Base interactions energy: -506.479 where: short stacking energy: -246.127 Base-Backbone interact. energy: 3.046 local terms energy: -293.360321 where: bonds (distance) C4'-P energy: -68.924 bonds (distance) P-C4' energy: -65.475 flat angles C4'-P-C4' energy: -74.825 flat angles P-C4'-P energy: -42.105 tors. eta vs tors. theta energy: -42.031 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: 7, replica: 1 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -702.349024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.349024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.349024 (E_RNA) where: Base-Base interactions energy: -403.636 where: short stacking energy: -198.984 Base-Backbone interact. energy: -1.004 local terms energy: -297.708263 where: bonds (distance) C4'-P energy: -74.008 bonds (distance) P-C4' energy: -66.352 flat angles C4'-P-C4' energy: -79.684 flat angles P-C4'-P energy: -41.557 tors. eta vs tors. theta energy: -36.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -505.282879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.282879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.282879 (E_RNA) where: Base-Base interactions energy: -257.863 where: short stacking energy: -146.373 Base-Backbone interact. energy: -1.271 local terms energy: -246.148958 where: bonds (distance) C4'-P energy: -68.505 bonds (distance) P-C4' energy: -69.991 flat angles C4'-P-C4' energy: -63.281 flat angles P-C4'-P energy: -41.258 tors. eta vs tors. theta energy: -3.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -357.950214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.950214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.950214 (E_RNA) where: Base-Base interactions energy: -116.628 where: short stacking energy: -101.167 Base-Backbone interact. energy: -0.164 local terms energy: -241.158226 where: bonds (distance) C4'-P energy: -69.300 bonds (distance) P-C4' energy: -78.405 flat angles C4'-P-C4' energy: -58.491 flat angles P-C4'-P energy: -38.757 tors. eta vs tors. theta energy: 3.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -338.472670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.472670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.472670 (E_RNA) where: Base-Base interactions energy: -121.180 where: short stacking energy: -103.026 Base-Backbone interact. energy: -2.095 local terms energy: -215.197553 where: bonds (distance) C4'-P energy: -50.721 bonds (distance) P-C4' energy: -73.064 flat angles C4'-P-C4' energy: -55.935 flat angles P-C4'-P energy: -38.781 tors. eta vs tors. theta energy: 3.304 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: 10 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1342.131474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.131474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.131474 (E_RNA) where: Base-Base interactions energy: -894.292 where: short stacking energy: -396.392 Base-Backbone interact. energy: -0.823 local terms energy: -447.017035 where: bonds (distance) C4'-P energy: -71.239 bonds (distance) P-C4' energy: -86.080 flat angles C4'-P-C4' energy: -94.606 flat angles P-C4'-P energy: -66.448 tors. eta vs tors. theta energy: -128.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1215.770209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.770209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.770209 (E_RNA) where: Base-Base interactions energy: -824.657 where: short stacking energy: -353.131 Base-Backbone interact. energy: -0.120 local terms energy: -390.992533 where: bonds (distance) C4'-P energy: -74.987 bonds (distance) P-C4' energy: -78.407 flat angles C4'-P-C4' energy: -84.439 flat angles P-C4'-P energy: -49.982 tors. eta vs tors. theta energy: -103.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1128.829029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.829029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.829029 (E_RNA) where: Base-Base interactions energy: -736.519 where: short stacking energy: -347.479 Base-Backbone interact. energy: -2.165 local terms energy: -390.145335 where: bonds (distance) C4'-P energy: -77.400 bonds (distance) P-C4' energy: -76.229 flat angles C4'-P-C4' energy: -83.994 flat angles P-C4'-P energy: -59.822 tors. eta vs tors. theta energy: -92.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1058.918339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.918339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.918339 (E_RNA) where: Base-Base interactions energy: -669.500 where: short stacking energy: -308.126 Base-Backbone interact. energy: -1.979 local terms energy: -387.439393 where: bonds (distance) C4'-P energy: -66.961 bonds (distance) P-C4' energy: -77.660 flat angles C4'-P-C4' energy: -91.160 flat angles P-C4'-P energy: -63.229 tors. eta vs tors. theta energy: -88.430 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: 5, replica: 4 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -977.700636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.700636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.700636 (E_RNA) where: Base-Base interactions energy: -611.452 where: short stacking energy: -309.257 Base-Backbone interact. energy: -0.904 local terms energy: -365.344764 where: bonds (distance) C4'-P energy: -60.479 bonds (distance) P-C4' energy: -78.171 flat angles C4'-P-C4' energy: -85.368 flat angles P-C4'-P energy: -61.413 tors. eta vs tors. theta energy: -79.914 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: 6, replica: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -802.333637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.333637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.333637 (E_RNA) where: Base-Base interactions energy: -518.269 where: short stacking energy: -229.348 Base-Backbone interact. energy: -1.583 local terms energy: -282.482427 where: bonds (distance) C4'-P energy: -52.222 bonds (distance) P-C4' energy: -72.273 flat angles C4'-P-C4' energy: -65.223 flat angles P-C4'-P energy: -47.497 tors. eta vs tors. theta energy: -45.267 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: 1 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -719.976278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.976278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.976278 (E_RNA) where: Base-Base interactions energy: -430.451 where: short stacking energy: -207.936 Base-Backbone interact. energy: 0.267 local terms energy: -289.792841 where: bonds (distance) C4'-P energy: -66.775 bonds (distance) P-C4' energy: -65.032 flat angles C4'-P-C4' energy: -65.593 flat angles P-C4'-P energy: -51.471 tors. eta vs tors. theta energy: -40.923 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: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -480.885198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.885198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.885198 (E_RNA) where: Base-Base interactions energy: -244.945 where: short stacking energy: -153.789 Base-Backbone interact. energy: 0.999 local terms energy: -236.938694 where: bonds (distance) C4'-P energy: -68.901 bonds (distance) P-C4' energy: -73.253 flat angles C4'-P-C4' energy: -65.977 flat angles P-C4'-P energy: -21.500 tors. eta vs tors. theta energy: -7.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -330.338766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.338766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.338766 (E_RNA) where: Base-Base interactions energy: -121.924 where: short stacking energy: -73.500 Base-Backbone interact. energy: 2.576 local terms energy: -210.990954 where: bonds (distance) C4'-P energy: -63.457 bonds (distance) P-C4' energy: -73.350 flat angles C4'-P-C4' energy: -45.874 flat angles P-C4'-P energy: -35.849 tors. eta vs tors. theta energy: 7.540 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: 84 Temperature: 1.350000 Total energy: -308.079020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.079020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.079020 (E_RNA) where: Base-Base interactions energy: -107.285 where: short stacking energy: -73.446 Base-Backbone interact. energy: 5.424 local terms energy: -206.218857 where: bonds (distance) C4'-P energy: -65.766 bonds (distance) P-C4' energy: -84.694 flat angles C4'-P-C4' energy: -29.204 flat angles P-C4'-P energy: -39.940 tors. eta vs tors. theta energy: 13.385 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: 1, replica: 10 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1358.438402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.438402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.438402 (E_RNA) where: Base-Base interactions energy: -906.104 where: short stacking energy: -409.457 Base-Backbone interact. energy: -0.730 local terms energy: -451.603869 where: bonds (distance) C4'-P energy: -86.698 bonds (distance) P-C4' energy: -84.408 flat angles C4'-P-C4' energy: -87.933 flat angles P-C4'-P energy: -64.189 tors. eta vs tors. theta energy: -128.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1251.253047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.253047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.253047 (E_RNA) where: Base-Base interactions energy: -839.216 where: short stacking energy: -381.121 Base-Backbone interact. energy: -1.185 local terms energy: -410.852014 where: bonds (distance) C4'-P energy: -81.812 bonds (distance) P-C4' energy: -82.289 flat angles C4'-P-C4' energy: -86.969 flat angles P-C4'-P energy: -54.464 tors. eta vs tors. theta energy: -105.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1140.829511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.829511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.829511 (E_RNA) where: Base-Base interactions energy: -753.111 where: short stacking energy: -364.708 Base-Backbone interact. energy: -1.426 local terms energy: -386.292445 where: bonds (distance) C4'-P energy: -72.104 bonds (distance) P-C4' energy: -74.544 flat angles C4'-P-C4' energy: -88.754 flat angles P-C4'-P energy: -49.300 tors. eta vs tors. theta energy: -101.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1071.073264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.073264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.073264 (E_RNA) where: Base-Base interactions energy: -705.262 where: short stacking energy: -325.978 Base-Backbone interact. energy: -1.085 local terms energy: -364.725798 where: bonds (distance) C4'-P energy: -68.914 bonds (distance) P-C4' energy: -68.006 flat angles C4'-P-C4' energy: -80.961 flat angles P-C4'-P energy: -58.015 tors. eta vs tors. theta energy: -88.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -953.532555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.532555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.532555 (E_RNA) where: Base-Base interactions energy: -627.374 where: short stacking energy: -300.190 Base-Backbone interact. energy: 1.113 local terms energy: -327.270822 where: bonds (distance) C4'-P energy: -69.574 bonds (distance) P-C4' energy: -68.071 flat angles C4'-P-C4' energy: -73.232 flat angles P-C4'-P energy: -50.693 tors. eta vs tors. theta energy: -65.701 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: 1 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -764.924877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.924877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.924877 (E_RNA) where: Base-Base interactions energy: -437.154 where: short stacking energy: -242.752 Base-Backbone interact. energy: -1.008 local terms energy: -326.762638 where: bonds (distance) C4'-P energy: -74.689 bonds (distance) P-C4' energy: -75.747 flat angles C4'-P-C4' energy: -77.950 flat angles P-C4'-P energy: -52.583 tors. eta vs tors. theta energy: -45.795 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: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -766.236439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.236439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.236439 (E_RNA) where: Base-Base interactions energy: -438.603 where: short stacking energy: -206.680 Base-Backbone interact. energy: 2.296 local terms energy: -329.929417 where: bonds (distance) C4'-P energy: -76.285 bonds (distance) P-C4' energy: -81.325 flat angles C4'-P-C4' energy: -79.105 flat angles P-C4'-P energy: -48.245 tors. eta vs tors. theta energy: -44.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -572.315523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.315523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.315523 (E_RNA) where: Base-Base interactions energy: -310.333 where: short stacking energy: -155.787 Base-Backbone interact. energy: 0.667 local terms energy: -262.649118 where: bonds (distance) C4'-P energy: -67.386 bonds (distance) P-C4' energy: -90.335 flat angles C4'-P-C4' energy: -60.634 flat angles P-C4'-P energy: -37.769 tors. eta vs tors. theta energy: -6.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -399.336538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.336538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.336538 (E_RNA) where: Base-Base interactions energy: -172.832 where: short stacking energy: -112.268 Base-Backbone interact. energy: 0.224 local terms energy: -226.728327 where: bonds (distance) C4'-P energy: -67.042 bonds (distance) P-C4' energy: -65.415 flat angles C4'-P-C4' energy: -48.431 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -319.465959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.465959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.465959 (E_RNA) where: Base-Base interactions energy: -113.527 where: short stacking energy: -89.724 Base-Backbone interact. energy: 0.872 local terms energy: -206.811315 where: bonds (distance) C4'-P energy: -67.159 bonds (distance) P-C4' energy: -71.117 flat angles C4'-P-C4' energy: -53.483 flat angles P-C4'-P energy: -24.362 tors. eta vs tors. theta energy: 9.309 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: 1, replica: 10 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1346.560787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.560787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.560787 (E_RNA) where: Base-Base interactions energy: -928.104 where: short stacking energy: -404.151 Base-Backbone interact. energy: -2.241 local terms energy: -416.215861 where: bonds (distance) C4'-P energy: -77.780 bonds (distance) P-C4' energy: -77.101 flat angles C4'-P-C4' energy: -84.617 flat angles P-C4'-P energy: -56.331 tors. eta vs tors. theta energy: -120.386 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: 7 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1244.214062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.214062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.214062 (E_RNA) where: Base-Base interactions energy: -851.578 where: short stacking energy: -359.765 Base-Backbone interact. energy: -1.907 local terms energy: -390.729459 where: bonds (distance) C4'-P energy: -78.202 bonds (distance) P-C4' energy: -70.944 flat angles C4'-P-C4' energy: -84.879 flat angles P-C4'-P energy: -53.000 tors. eta vs tors. theta energy: -103.704 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: 2 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1094.608302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.608302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.608302 (E_RNA) where: Base-Base interactions energy: -730.791 where: short stacking energy: -324.990 Base-Backbone interact. energy: -4.497 local terms energy: -359.319692 where: bonds (distance) C4'-P energy: -62.523 bonds (distance) P-C4' energy: -73.603 flat angles C4'-P-C4' energy: -76.187 flat angles P-C4'-P energy: -63.050 tors. eta vs tors. theta energy: -83.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1082.354916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.354916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.354916 (E_RNA) where: Base-Base interactions energy: -706.394 where: short stacking energy: -324.790 Base-Backbone interact. energy: 0.039 local terms energy: -376.000634 where: bonds (distance) C4'-P energy: -72.733 bonds (distance) P-C4' energy: -76.613 flat angles C4'-P-C4' energy: -79.870 flat angles P-C4'-P energy: -57.266 tors. eta vs tors. theta energy: -89.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -883.216529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.216529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.216529 (E_RNA) where: Base-Base interactions energy: -558.752 where: short stacking energy: -255.801 Base-Backbone interact. energy: 0.120 local terms energy: -324.584943 where: bonds (distance) C4'-P energy: -52.318 bonds (distance) P-C4' energy: -74.093 flat angles C4'-P-C4' energy: -76.248 flat angles P-C4'-P energy: -54.404 tors. eta vs tors. theta energy: -67.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -741.681198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.681198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.681198 (E_RNA) where: Base-Base interactions energy: -436.460 where: short stacking energy: -238.362 Base-Backbone interact. energy: 1.505 local terms energy: -306.725571 where: bonds (distance) C4'-P energy: -74.161 bonds (distance) P-C4' energy: -65.764 flat angles C4'-P-C4' energy: -70.956 flat angles P-C4'-P energy: -49.654 tors. eta vs tors. theta energy: -46.191 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: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -746.738982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.738982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.738982 (E_RNA) where: Base-Base interactions energy: -459.283 where: short stacking energy: -229.728 Base-Backbone interact. energy: 0.686 local terms energy: -288.141843 where: bonds (distance) C4'-P energy: -58.583 bonds (distance) P-C4' energy: -73.648 flat angles C4'-P-C4' energy: -75.834 flat angles P-C4'-P energy: -35.801 tors. eta vs tors. theta energy: -44.276 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: 8, replica: 5 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -522.522882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.522882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.522882 (E_RNA) where: Base-Base interactions energy: -262.869 where: short stacking energy: -160.054 Base-Backbone interact. energy: -1.282 local terms energy: -258.372129 where: bonds (distance) C4'-P energy: -77.187 bonds (distance) P-C4' energy: -67.815 flat angles C4'-P-C4' energy: -57.300 flat angles P-C4'-P energy: -37.198 tors. eta vs tors. theta energy: -18.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -466.914915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.914915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.914915 (E_RNA) where: Base-Base interactions energy: -217.237 where: short stacking energy: -143.050 Base-Backbone interact. energy: -1.340 local terms energy: -248.337927 where: bonds (distance) C4'-P energy: -69.587 bonds (distance) P-C4' energy: -65.165 flat angles C4'-P-C4' energy: -46.632 flat angles P-C4'-P energy: -51.043 tors. eta vs tors. theta energy: -15.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -351.161723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.161723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.161723 (E_RNA) where: Base-Base interactions energy: -135.357 where: short stacking energy: -132.969 Base-Backbone interact. energy: -0.826 local terms energy: -214.979282 where: bonds (distance) C4'-P energy: -70.085 bonds (distance) P-C4' energy: -65.542 flat angles C4'-P-C4' energy: -52.095 flat angles P-C4'-P energy: -15.319 tors. eta vs tors. theta energy: -11.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1355.335539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.335539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.335539 (E_RNA) where: Base-Base interactions energy: -905.078 where: short stacking energy: -413.783 Base-Backbone interact. energy: -0.574 local terms energy: -449.683597 where: bonds (distance) C4'-P energy: -89.522 bonds (distance) P-C4' energy: -87.712 flat angles C4'-P-C4' energy: -88.913 flat angles P-C4'-P energy: -58.555 tors. eta vs tors. theta energy: -124.982 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: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1243.986375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.986375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.986375 (E_RNA) where: Base-Base interactions energy: -848.569 where: short stacking energy: -367.637 Base-Backbone interact. energy: 2.028 local terms energy: -397.445053 where: bonds (distance) C4'-P energy: -80.190 bonds (distance) P-C4' energy: -70.049 flat angles C4'-P-C4' energy: -91.255 flat angles P-C4'-P energy: -52.453 tors. eta vs tors. theta energy: -103.498 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: 2 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1101.934912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.934912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.934912 (E_RNA) where: Base-Base interactions energy: -738.783 where: short stacking energy: -329.783 Base-Backbone interact. energy: -0.456 local terms energy: -362.696074 where: bonds (distance) C4'-P energy: -77.356 bonds (distance) P-C4' energy: -72.715 flat angles C4'-P-C4' energy: -77.214 flat angles P-C4'-P energy: -49.706 tors. eta vs tors. theta energy: -85.705 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: 9 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1091.016693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.016693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.016693 (E_RNA) where: Base-Base interactions energy: -722.855 where: short stacking energy: -343.143 Base-Backbone interact. energy: -2.241 local terms energy: -365.920392 where: bonds (distance) C4'-P energy: -64.059 bonds (distance) P-C4' energy: -68.358 flat angles C4'-P-C4' energy: -87.161 flat angles P-C4'-P energy: -53.929 tors. eta vs tors. theta energy: -92.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -928.858576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.858576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.858576 (E_RNA) where: Base-Base interactions energy: -604.053 where: short stacking energy: -298.414 Base-Backbone interact. energy: -0.353 local terms energy: -324.451785 where: bonds (distance) C4'-P energy: -72.302 bonds (distance) P-C4' energy: -50.459 flat angles C4'-P-C4' energy: -77.988 flat angles P-C4'-P energy: -55.742 tors. eta vs tors. theta energy: -67.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -779.823563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.823563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.823563 (E_RNA) where: Base-Base interactions energy: -472.489 where: short stacking energy: -241.951 Base-Backbone interact. energy: 0.401 local terms energy: -307.735886 where: bonds (distance) C4'-P energy: -81.541 bonds (distance) P-C4' energy: -65.675 flat angles C4'-P-C4' energy: -68.655 flat angles P-C4'-P energy: -45.345 tors. eta vs tors. theta energy: -46.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -737.520839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.520839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.520839 (E_RNA) where: Base-Base interactions energy: -466.377 where: short stacking energy: -240.976 Base-Backbone interact. energy: -0.788 local terms energy: -270.355152 where: bonds (distance) C4'-P energy: -70.560 bonds (distance) P-C4' energy: -48.302 flat angles C4'-P-C4' energy: -66.506 flat angles P-C4'-P energy: -40.023 tors. eta vs tors. theta energy: -44.964 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: 87 Temperature: 1.250000 Total energy: -494.092855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.092855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.092855 (E_RNA) where: Base-Base interactions energy: -245.973 where: short stacking energy: -126.643 Base-Backbone interact. energy: -1.397 local terms energy: -246.723063 where: bonds (distance) C4'-P energy: -55.944 bonds (distance) P-C4' energy: -72.572 flat angles C4'-P-C4' energy: -74.344 flat angles P-C4'-P energy: -44.459 tors. eta vs tors. theta energy: 0.596 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: 5 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -453.352580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.352580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.352580 (E_RNA) where: Base-Base interactions energy: -203.170 where: short stacking energy: -135.354 Base-Backbone interact. energy: -0.609 local terms energy: -249.573792 where: bonds (distance) C4'-P energy: -77.872 bonds (distance) P-C4' energy: -62.441 flat angles C4'-P-C4' energy: -59.489 flat angles P-C4'-P energy: -30.672 tors. eta vs tors. theta energy: -19.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -355.455791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.455791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.455791 (E_RNA) where: Base-Base interactions energy: -129.293 where: short stacking energy: -93.417 Base-Backbone interact. energy: 1.661 local terms energy: -227.823492 where: bonds (distance) C4'-P energy: -68.699 bonds (distance) P-C4' energy: -80.116 flat angles C4'-P-C4' energy: -57.582 flat angles P-C4'-P energy: -28.373 tors. eta vs tors. theta energy: 6.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1350.630392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.630392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.630392 (E_RNA) where: Base-Base interactions energy: -922.272 where: short stacking energy: -407.496 Base-Backbone interact. energy: -0.248 local terms energy: -428.111089 where: bonds (distance) C4'-P energy: -74.161 bonds (distance) P-C4' energy: -80.728 flat angles C4'-P-C4' energy: -87.485 flat angles P-C4'-P energy: -64.032 tors. eta vs tors. theta energy: -121.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1253.093107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.093107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.093107 (E_RNA) where: Base-Base interactions energy: -837.575 where: short stacking energy: -386.123 Base-Backbone interact. energy: -2.094 local terms energy: -413.424791 where: bonds (distance) C4'-P energy: -72.006 bonds (distance) P-C4' energy: -82.764 flat angles C4'-P-C4' energy: -83.271 flat angles P-C4'-P energy: -64.338 tors. eta vs tors. theta energy: -111.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1101.998291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.998291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.998291 (E_RNA) where: Base-Base interactions energy: -731.379 where: short stacking energy: -337.631 Base-Backbone interact. energy: -0.064 local terms energy: -370.555748 where: bonds (distance) C4'-P energy: -83.008 bonds (distance) P-C4' energy: -71.682 flat angles C4'-P-C4' energy: -78.569 flat angles P-C4'-P energy: -51.835 tors. eta vs tors. theta energy: -85.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1061.822467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.822467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.822467 (E_RNA) where: Base-Base interactions energy: -681.111 where: short stacking energy: -317.260 Base-Backbone interact. energy: -1.811 local terms energy: -378.900086 where: bonds (distance) C4'-P energy: -76.355 bonds (distance) P-C4' energy: -84.617 flat angles C4'-P-C4' energy: -78.105 flat angles P-C4'-P energy: -49.079 tors. eta vs tors. theta energy: -90.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -962.842841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.842841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.842841 (E_RNA) where: Base-Base interactions energy: -605.915 where: short stacking energy: -317.872 Base-Backbone interact. energy: -1.859 local terms energy: -355.068590 where: bonds (distance) C4'-P energy: -72.714 bonds (distance) P-C4' energy: -73.887 flat angles C4'-P-C4' energy: -87.566 flat angles P-C4'-P energy: -38.703 tors. eta vs tors. theta energy: -82.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -786.758137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.758137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.758137 (E_RNA) where: Base-Base interactions energy: -460.180 where: short stacking energy: -211.186 Base-Backbone interact. energy: -0.073 local terms energy: -326.505099 where: bonds (distance) C4'-P energy: -81.531 bonds (distance) P-C4' energy: -69.893 flat angles C4'-P-C4' energy: -80.182 flat angles P-C4'-P energy: -53.117 tors. eta vs tors. theta energy: -41.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -731.918322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.918322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.918322 (E_RNA) where: Base-Base interactions energy: -441.398 where: short stacking energy: -224.037 Base-Backbone interact. energy: 1.730 local terms energy: -292.250463 where: bonds (distance) C4'-P energy: -74.414 bonds (distance) P-C4' energy: -64.945 flat angles C4'-P-C4' energy: -69.001 flat angles P-C4'-P energy: -42.454 tors. eta vs tors. theta energy: -41.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -513.981920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.981920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.981920 (E_RNA) where: Base-Base interactions energy: -272.501 where: short stacking energy: -149.465 Base-Backbone interact. energy: 0.009 local terms energy: -241.490289 where: bonds (distance) C4'-P energy: -55.789 bonds (distance) P-C4' energy: -71.892 flat angles C4'-P-C4' energy: -60.138 flat angles P-C4'-P energy: -37.737 tors. eta vs tors. theta energy: -15.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -446.704608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.704608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.704608 (E_RNA) where: Base-Base interactions energy: -220.436 where: short stacking energy: -125.996 Base-Backbone interact. energy: -2.112 local terms energy: -224.156657 where: bonds (distance) C4'-P energy: -75.648 bonds (distance) P-C4' energy: -53.046 flat angles C4'-P-C4' energy: -59.184 flat angles P-C4'-P energy: -44.148 tors. eta vs tors. theta energy: 7.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -316.738828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.738828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.738828 (E_RNA) where: Base-Base interactions energy: -109.087 where: short stacking energy: -105.304 Base-Backbone interact. energy: 0.651 local terms energy: -208.302954 where: bonds (distance) C4'-P energy: -70.462 bonds (distance) P-C4' energy: -68.455 flat angles C4'-P-C4' energy: -56.715 flat angles P-C4'-P energy: -20.038 tors. eta vs tors. theta energy: 7.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1362.960113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.960113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.960113 (E_RNA) where: Base-Base interactions energy: -911.294 where: short stacking energy: -410.866 Base-Backbone interact. energy: -0.001 local terms energy: -451.665153 where: bonds (distance) C4'-P energy: -80.820 bonds (distance) P-C4' energy: -89.785 flat angles C4'-P-C4' energy: -87.106 flat angles P-C4'-P energy: -59.469 tors. eta vs tors. theta energy: -134.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1235.700206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.700206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.700206 (E_RNA) where: Base-Base interactions energy: -837.058 where: short stacking energy: -353.819 Base-Backbone interact. energy: -1.540 local terms energy: -397.102024 where: bonds (distance) C4'-P energy: -69.929 bonds (distance) P-C4' energy: -77.335 flat angles C4'-P-C4' energy: -92.484 flat angles P-C4'-P energy: -57.542 tors. eta vs tors. theta energy: -99.812 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: 9 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1129.579348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.579348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.579348 (E_RNA) where: Base-Base interactions energy: -726.728 where: short stacking energy: -348.928 Base-Backbone interact. energy: 0.115 local terms energy: -402.966518 where: bonds (distance) C4'-P energy: -79.714 bonds (distance) P-C4' energy: -72.078 flat angles C4'-P-C4' energy: -84.509 flat angles P-C4'-P energy: -65.082 tors. eta vs tors. theta energy: -101.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1042.834492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.834492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.834492 (E_RNA) where: Base-Base interactions energy: -675.455 where: short stacking energy: -310.157 Base-Backbone interact. energy: 1.174 local terms energy: -368.553693 where: bonds (distance) C4'-P energy: -74.394 bonds (distance) P-C4' energy: -67.577 flat angles C4'-P-C4' energy: -83.694 flat angles P-C4'-P energy: -54.020 tors. eta vs tors. theta energy: -88.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -889.573132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.573132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.573132 (E_RNA) where: Base-Base interactions energy: -572.743 where: short stacking energy: -284.302 Base-Backbone interact. energy: -0.511 local terms energy: -316.319181 where: bonds (distance) C4'-P energy: -60.475 bonds (distance) P-C4' energy: -72.515 flat angles C4'-P-C4' energy: -75.093 flat angles P-C4'-P energy: -48.626 tors. eta vs tors. theta energy: -59.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -776.045758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.045758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.045758 (E_RNA) where: Base-Base interactions energy: -452.265 where: short stacking energy: -220.544 Base-Backbone interact. energy: -2.320 local terms energy: -321.461003 where: bonds (distance) C4'-P energy: -80.482 bonds (distance) P-C4' energy: -81.612 flat angles C4'-P-C4' energy: -64.438 flat angles P-C4'-P energy: -50.778 tors. eta vs tors. theta energy: -44.150 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: 1 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -725.966301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.966301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.966301 (E_RNA) where: Base-Base interactions energy: -425.303 where: short stacking energy: -225.616 Base-Backbone interact. energy: 0.410 local terms energy: -301.073388 where: bonds (distance) C4'-P energy: -68.474 bonds (distance) P-C4' energy: -76.186 flat angles C4'-P-C4' energy: -63.639 flat angles P-C4'-P energy: -39.237 tors. eta vs tors. theta energy: -53.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -501.696455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.696455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.696455 (E_RNA) where: Base-Base interactions energy: -250.905 where: short stacking energy: -163.092 Base-Backbone interact. energy: 2.543 local terms energy: -253.334671 where: bonds (distance) C4'-P energy: -70.929 bonds (distance) P-C4' energy: -62.271 flat angles C4'-P-C4' energy: -57.598 flat angles P-C4'-P energy: -42.921 tors. eta vs tors. theta energy: -19.616 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: 3 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -480.155895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.155895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.155895 (E_RNA) where: Base-Base interactions energy: -248.979 where: short stacking energy: -135.684 Base-Backbone interact. energy: -0.780 local terms energy: -230.396551 where: bonds (distance) C4'-P energy: -62.204 bonds (distance) P-C4' energy: -55.453 flat angles C4'-P-C4' energy: -66.024 flat angles P-C4'-P energy: -27.048 tors. eta vs tors. theta energy: -19.668 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: 8 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -328.774392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.774392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.774392 (E_RNA) where: Base-Base interactions energy: -117.307 where: short stacking energy: -104.882 Base-Backbone interact. energy: -2.639 local terms energy: -208.827741 where: bonds (distance) C4'-P energy: -61.089 bonds (distance) P-C4' energy: -59.611 flat angles C4'-P-C4' energy: -57.728 flat angles P-C4'-P energy: -38.005 tors. eta vs tors. theta energy: 7.605 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: 10 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1382.456938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.456938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.456938 (E_RNA) where: Base-Base interactions energy: -928.355 where: short stacking energy: -417.336 Base-Backbone interact. energy: 0.568 local terms energy: -454.669704 where: bonds (distance) C4'-P energy: -83.973 bonds (distance) P-C4' energy: -85.370 flat angles C4'-P-C4' energy: -93.698 flat angles P-C4'-P energy: -57.148 tors. eta vs tors. theta energy: -134.481 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: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1249.792943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.792943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.792943 (E_RNA) where: Base-Base interactions energy: -871.160 where: short stacking energy: -372.926 Base-Backbone interact. energy: -2.438 local terms energy: -376.194808 where: bonds (distance) C4'-P energy: -67.056 bonds (distance) P-C4' energy: -77.826 flat angles C4'-P-C4' energy: -82.937 flat angles P-C4'-P energy: -41.167 tors. eta vs tors. theta energy: -107.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1129.940290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.940290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.940290 (E_RNA) where: Base-Base interactions energy: -735.065 where: short stacking energy: -342.539 Base-Backbone interact. energy: 0.054 local terms energy: -394.929365 where: bonds (distance) C4'-P energy: -78.292 bonds (distance) P-C4' energy: -72.426 flat angles C4'-P-C4' energy: -88.714 flat angles P-C4'-P energy: -51.003 tors. eta vs tors. theta energy: -104.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1039.231318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.231318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.231318 (E_RNA) where: Base-Base interactions energy: -668.437 where: short stacking energy: -315.555 Base-Backbone interact. energy: -2.261 local terms energy: -368.532598 where: bonds (distance) C4'-P energy: -74.984 bonds (distance) P-C4' energy: -85.404 flat angles C4'-P-C4' energy: -66.606 flat angles P-C4'-P energy: -56.690 tors. eta vs tors. theta energy: -84.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -891.510656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.510656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.510656 (E_RNA) where: Base-Base interactions energy: -572.698 where: short stacking energy: -248.805 Base-Backbone interact. energy: 1.612 local terms energy: -320.424320 where: bonds (distance) C4'-P energy: -73.013 bonds (distance) P-C4' energy: -69.689 flat angles C4'-P-C4' energy: -77.518 flat angles P-C4'-P energy: -46.277 tors. eta vs tors. theta energy: -53.926 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: 6, replica: 6 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -793.104975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.104975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.104975 (E_RNA) where: Base-Base interactions energy: -485.430 where: short stacking energy: -223.427 Base-Backbone interact. energy: -0.563 local terms energy: -307.111722 where: bonds (distance) C4'-P energy: -64.862 bonds (distance) P-C4' energy: -61.382 flat angles C4'-P-C4' energy: -79.208 flat angles P-C4'-P energy: -57.156 tors. eta vs tors. theta energy: -44.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -708.931085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.931085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.931085 (E_RNA) where: Base-Base interactions energy: -407.260 where: short stacking energy: -206.452 Base-Backbone interact. energy: -1.900 local terms energy: -299.771359 where: bonds (distance) C4'-P energy: -76.677 bonds (distance) P-C4' energy: -60.232 flat angles C4'-P-C4' energy: -70.061 flat angles P-C4'-P energy: -47.575 tors. eta vs tors. theta energy: -45.226 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: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -508.670419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.670419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.670419 (E_RNA) where: Base-Base interactions energy: -257.228 where: short stacking energy: -161.055 Base-Backbone interact. energy: -0.245 local terms energy: -251.196896 where: bonds (distance) C4'-P energy: -60.667 bonds (distance) P-C4' energy: -61.265 flat angles C4'-P-C4' energy: -72.396 flat angles P-C4'-P energy: -37.343 tors. eta vs tors. theta energy: -19.527 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: 3 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -425.742644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.742644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.742644 (E_RNA) where: Base-Base interactions energy: -200.059 where: short stacking energy: -115.571 Base-Backbone interact. energy: 1.517 local terms energy: -227.200665 where: bonds (distance) C4'-P energy: -71.353 bonds (distance) P-C4' energy: -59.958 flat angles C4'-P-C4' energy: -54.568 flat angles P-C4'-P energy: -40.632 tors. eta vs tors. theta energy: -0.689 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: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -330.567733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.567733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.567733 (E_RNA) where: Base-Base interactions energy: -106.577 where: short stacking energy: -92.865 Base-Backbone interact. energy: 1.471 local terms energy: -225.461915 where: bonds (distance) C4'-P energy: -67.834 bonds (distance) P-C4' energy: -74.939 flat angles C4'-P-C4' energy: -57.639 flat angles P-C4'-P energy: -33.525 tors. eta vs tors. theta energy: 8.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1395.284879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.284879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.284879 (E_RNA) where: Base-Base interactions energy: -945.782 where: short stacking energy: -437.955 Base-Backbone interact. energy: -2.045 local terms energy: -447.457846 where: bonds (distance) C4'-P energy: -75.980 bonds (distance) P-C4' energy: -79.925 flat angles C4'-P-C4' energy: -87.741 flat angles P-C4'-P energy: -71.559 tors. eta vs tors. theta energy: -132.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1241.479873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.479873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.479873 (E_RNA) where: Base-Base interactions energy: -838.454 where: short stacking energy: -364.924 Base-Backbone interact. energy: 1.462 local terms energy: -404.488069 where: bonds (distance) C4'-P energy: -83.510 bonds (distance) P-C4' energy: -73.658 flat angles C4'-P-C4' energy: -82.935 flat angles P-C4'-P energy: -50.586 tors. eta vs tors. theta energy: -113.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1153.259198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.259198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.259198 (E_RNA) where: Base-Base interactions energy: -750.252 where: short stacking energy: -370.163 Base-Backbone interact. energy: 0.570 local terms energy: -403.577202 where: bonds (distance) C4'-P energy: -77.686 bonds (distance) P-C4' energy: -70.830 flat angles C4'-P-C4' energy: -86.888 flat angles P-C4'-P energy: -66.636 tors. eta vs tors. theta energy: -101.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1016.957263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.957263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.957263 (E_RNA) where: Base-Base interactions energy: -646.544 where: short stacking energy: -296.049 Base-Backbone interact. energy: -1.620 local terms energy: -368.792977 where: bonds (distance) C4'-P energy: -70.008 bonds (distance) P-C4' energy: -73.024 flat angles C4'-P-C4' energy: -90.846 flat angles P-C4'-P energy: -44.476 tors. eta vs tors. theta energy: -90.440 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: 4 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -890.471642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.471642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.471642 (E_RNA) where: Base-Base interactions energy: -559.435 where: short stacking energy: -286.074 Base-Backbone interact. energy: -2.315 local terms energy: -328.721556 where: bonds (distance) C4'-P energy: -63.958 bonds (distance) P-C4' energy: -77.805 flat angles C4'-P-C4' energy: -79.210 flat angles P-C4'-P energy: -43.370 tors. eta vs tors. theta energy: -64.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -789.961661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.961661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.961661 (E_RNA) where: Base-Base interactions energy: -486.413 where: short stacking energy: -232.613 Base-Backbone interact. energy: -1.473 local terms energy: -302.075717 where: bonds (distance) C4'-P energy: -61.130 bonds (distance) P-C4' energy: -80.463 flat angles C4'-P-C4' energy: -74.451 flat angles P-C4'-P energy: -44.800 tors. eta vs tors. theta energy: -41.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -737.926217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.926217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.926217 (E_RNA) where: Base-Base interactions energy: -442.332 where: short stacking energy: -231.618 Base-Backbone interact. energy: -0.485 local terms energy: -295.109477 where: bonds (distance) C4'-P energy: -69.980 bonds (distance) P-C4' energy: -76.392 flat angles C4'-P-C4' energy: -66.407 flat angles P-C4'-P energy: -46.793 tors. eta vs tors. theta energy: -35.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -513.774799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.774799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.774799 (E_RNA) where: Base-Base interactions energy: -262.517 where: short stacking energy: -167.435 Base-Backbone interact. energy: 1.594 local terms energy: -252.852287 where: bonds (distance) C4'-P energy: -71.388 bonds (distance) P-C4' energy: -59.631 flat angles C4'-P-C4' energy: -73.041 flat angles P-C4'-P energy: -37.160 tors. eta vs tors. theta energy: -11.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -439.169481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.169481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.169481 (E_RNA) where: Base-Base interactions energy: -219.172 where: short stacking energy: -118.111 Base-Backbone interact. energy: -1.222 local terms energy: -218.775773 where: bonds (distance) C4'-P energy: -53.578 bonds (distance) P-C4' energy: -68.050 flat angles C4'-P-C4' energy: -58.066 flat angles P-C4'-P energy: -35.821 tors. eta vs tors. theta energy: -3.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -339.815575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.815575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.815575 (E_RNA) where: Base-Base interactions energy: -126.112 where: short stacking energy: -115.869 Base-Backbone interact. energy: 1.906 local terms energy: -215.609611 where: bonds (distance) C4'-P energy: -55.246 bonds (distance) P-C4' energy: -59.354 flat angles C4'-P-C4' energy: -65.523 flat angles P-C4'-P energy: -28.465 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1390.630656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.630656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.630656 (E_RNA) where: Base-Base interactions energy: -958.107 where: short stacking energy: -437.861 Base-Backbone interact. energy: -0.914 local terms energy: -431.608979 where: bonds (distance) C4'-P energy: -76.448 bonds (distance) P-C4' energy: -83.710 flat angles C4'-P-C4' energy: -91.611 flat angles P-C4'-P energy: -52.149 tors. eta vs tors. theta energy: -127.691 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: 7 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1279.774279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.774279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.774279 (E_RNA) where: Base-Base interactions energy: -868.729 where: short stacking energy: -366.784 Base-Backbone interact. energy: -2.806 local terms energy: -408.238945 where: bonds (distance) C4'-P energy: -79.887 bonds (distance) P-C4' energy: -77.747 flat angles C4'-P-C4' energy: -84.933 flat angles P-C4'-P energy: -49.538 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: 3, replica: 9 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1177.416844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.416844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.416844 (E_RNA) where: Base-Base interactions energy: -773.674 where: short stacking energy: -388.319 Base-Backbone interact. energy: -0.646 local terms energy: -403.096214 where: bonds (distance) C4'-P energy: -76.250 bonds (distance) P-C4' energy: -70.141 flat angles C4'-P-C4' energy: -86.724 flat angles P-C4'-P energy: -55.688 tors. eta vs tors. theta energy: -114.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1005.321750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.321750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.321750 (E_RNA) where: Base-Base interactions energy: -651.395 where: short stacking energy: -305.382 Base-Backbone interact. energy: -3.053 local terms energy: -350.873547 where: bonds (distance) C4'-P energy: -72.960 bonds (distance) P-C4' energy: -83.247 flat angles C4'-P-C4' energy: -71.432 flat angles P-C4'-P energy: -46.634 tors. eta vs tors. theta energy: -76.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -917.524327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.524327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.524327 (E_RNA) where: Base-Base interactions energy: -579.248 where: short stacking energy: -264.778 Base-Backbone interact. energy: -0.200 local terms energy: -338.076192 where: bonds (distance) C4'-P energy: -81.448 bonds (distance) P-C4' energy: -75.873 flat angles C4'-P-C4' energy: -70.274 flat angles P-C4'-P energy: -42.262 tors. eta vs tors. theta energy: -68.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -730.537916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.537916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.537916 (E_RNA) where: Base-Base interactions energy: -419.243 where: short stacking energy: -236.959 Base-Backbone interact. energy: -1.901 local terms energy: -309.394791 where: bonds (distance) C4'-P energy: -73.844 bonds (distance) P-C4' energy: -79.364 flat angles C4'-P-C4' energy: -63.930 flat angles P-C4'-P energy: -46.360 tors. eta vs tors. theta energy: -45.898 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: 7, replica: 1 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -714.184613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.184613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.184613 (E_RNA) where: Base-Base interactions energy: -433.932 where: short stacking energy: -201.185 Base-Backbone interact. energy: -2.504 local terms energy: -277.748610 where: bonds (distance) C4'-P energy: -63.500 bonds (distance) P-C4' energy: -68.077 flat angles C4'-P-C4' energy: -58.655 flat angles P-C4'-P energy: -46.850 tors. eta vs tors. theta energy: -40.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -567.245717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.245717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.245717 (E_RNA) where: Base-Base interactions energy: -289.599 where: short stacking energy: -163.864 Base-Backbone interact. energy: -0.979 local terms energy: -276.668137 where: bonds (distance) C4'-P energy: -60.816 bonds (distance) P-C4' energy: -86.451 flat angles C4'-P-C4' energy: -61.377 flat angles P-C4'-P energy: -41.381 tors. eta vs tors. theta energy: -26.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -440.773933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.773933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.773933 (E_RNA) where: Base-Base interactions energy: -211.105 where: short stacking energy: -145.529 Base-Backbone interact. energy: -1.433 local terms energy: -228.235920 where: bonds (distance) C4'-P energy: -78.749 bonds (distance) P-C4' energy: -60.606 flat angles C4'-P-C4' energy: -64.594 flat angles P-C4'-P energy: -19.735 tors. eta vs tors. theta energy: -4.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -370.169115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.169115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.169115 (E_RNA) where: Base-Base interactions energy: -172.279 where: short stacking energy: -104.624 Base-Backbone interact. energy: 2.420 local terms energy: -200.310050 where: bonds (distance) C4'-P energy: -59.763 bonds (distance) P-C4' energy: -66.814 flat angles C4'-P-C4' energy: -52.240 flat angles P-C4'-P energy: -30.191 tors. eta vs tors. theta energy: 8.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1359.865203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.865203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.865203 (E_RNA) where: Base-Base interactions energy: -939.163 where: short stacking energy: -438.183 Base-Backbone interact. energy: -0.483 local terms energy: -420.220138 where: bonds (distance) C4'-P energy: -74.788 bonds (distance) P-C4' energy: -72.271 flat angles C4'-P-C4' energy: -88.126 flat angles P-C4'-P energy: -57.202 tors. eta vs tors. theta energy: -127.833 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: 93 Temperature: 0.950000 Total energy: -1210.040386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.040386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.040386 (E_RNA) where: Base-Base interactions energy: -807.549 where: short stacking energy: -393.266 Base-Backbone interact. energy: -0.459 local terms energy: -402.032361 where: bonds (distance) C4'-P energy: -55.929 bonds (distance) P-C4' energy: -88.077 flat angles C4'-P-C4' energy: -86.775 flat angles P-C4'-P energy: -59.378 tors. eta vs tors. theta energy: -111.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1195.319793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.319793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.319793 (E_RNA) where: Base-Base interactions energy: -819.990 where: short stacking energy: -332.589 Base-Backbone interact. energy: -1.023 local terms energy: -374.307069 where: bonds (distance) C4'-P energy: -71.884 bonds (distance) P-C4' energy: -85.907 flat angles C4'-P-C4' energy: -77.539 flat angles P-C4'-P energy: -52.187 tors. eta vs tors. theta energy: -86.791 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: 4, replica: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1022.698198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.698198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.698198 (E_RNA) where: Base-Base interactions energy: -647.761 where: short stacking energy: -304.629 Base-Backbone interact. energy: 0.459 local terms energy: -375.396375 where: bonds (distance) C4'-P energy: -80.664 bonds (distance) P-C4' energy: -80.515 flat angles C4'-P-C4' energy: -84.350 flat angles P-C4'-P energy: -48.874 tors. eta vs tors. theta energy: -80.992 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: 4 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -903.981655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.981655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.981655 (E_RNA) where: Base-Base interactions energy: -563.645 where: short stacking energy: -276.851 Base-Backbone interact. energy: -0.872 local terms energy: -339.464605 where: bonds (distance) C4'-P energy: -72.771 bonds (distance) P-C4' energy: -74.138 flat angles C4'-P-C4' energy: -71.308 flat angles P-C4'-P energy: -56.024 tors. eta vs tors. theta energy: -65.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -697.662874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.662874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.662874 (E_RNA) where: Base-Base interactions energy: -396.902 where: short stacking energy: -201.561 Base-Backbone interact. energy: -1.350 local terms energy: -299.410820 where: bonds (distance) C4'-P energy: -69.420 bonds (distance) P-C4' energy: -78.857 flat angles C4'-P-C4' energy: -65.588 flat angles P-C4'-P energy: -46.532 tors. eta vs tors. theta energy: -39.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -709.267139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.267139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.267139 (E_RNA) where: Base-Base interactions energy: -410.572 where: short stacking energy: -223.257 Base-Backbone interact. energy: -0.353 local terms energy: -298.341911 where: bonds (distance) C4'-P energy: -62.187 bonds (distance) P-C4' energy: -75.210 flat angles C4'-P-C4' energy: -71.563 flat angles P-C4'-P energy: -55.774 tors. eta vs tors. theta energy: -33.608 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: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -557.231187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.231187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.231187 (E_RNA) where: Base-Base interactions energy: -289.014 where: short stacking energy: -149.761 Base-Backbone interact. energy: 1.734 local terms energy: -269.951828 where: bonds (distance) C4'-P energy: -64.418 bonds (distance) P-C4' energy: -88.833 flat angles C4'-P-C4' energy: -60.064 flat angles P-C4'-P energy: -37.115 tors. eta vs tors. theta energy: -19.522 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: 3 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -428.490787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.490787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.490787 (E_RNA) where: Base-Base interactions energy: -169.376 where: short stacking energy: -104.324 Base-Backbone interact. energy: -0.627 local terms energy: -258.487900 where: bonds (distance) C4'-P energy: -76.655 bonds (distance) P-C4' energy: -64.367 flat angles C4'-P-C4' energy: -68.452 flat angles P-C4'-P energy: -52.470 tors. eta vs tors. theta energy: 3.456 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: 93 Temperature: 1.350000 Total energy: -357.979832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.979832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.979832 (E_RNA) where: Base-Base interactions energy: -139.292 where: short stacking energy: -89.320 Base-Backbone interact. energy: 1.947 local terms energy: -220.634538 where: bonds (distance) C4'-P energy: -63.974 bonds (distance) P-C4' energy: -79.528 flat angles C4'-P-C4' energy: -62.370 flat angles P-C4'-P energy: -19.506 tors. eta vs tors. theta energy: 4.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1379.460106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.460106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.460106 (E_RNA) where: Base-Base interactions energy: -921.018 where: short stacking energy: -418.772 Base-Backbone interact. energy: -0.469 local terms energy: -457.972731 where: bonds (distance) C4'-P energy: -85.347 bonds (distance) P-C4' energy: -86.687 flat angles C4'-P-C4' energy: -96.056 flat angles P-C4'-P energy: -61.580 tors. eta vs tors. theta energy: -128.303 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: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1202.503730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.503730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.503730 (E_RNA) where: Base-Base interactions energy: -791.911 where: short stacking energy: -372.677 Base-Backbone interact. energy: -0.623 local terms energy: -409.969697 where: bonds (distance) C4'-P energy: -75.119 bonds (distance) P-C4' energy: -75.173 flat angles C4'-P-C4' energy: -87.294 flat angles P-C4'-P energy: -59.880 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: 3, replica: 7 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1209.282722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.282722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.282722 (E_RNA) where: Base-Base interactions energy: -801.823 where: short stacking energy: -337.981 Base-Backbone interact. energy: -1.866 local terms energy: -405.593784 where: bonds (distance) C4'-P energy: -86.351 bonds (distance) P-C4' energy: -77.677 flat angles C4'-P-C4' energy: -81.439 flat angles P-C4'-P energy: -61.776 tors. eta vs tors. theta energy: -98.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -989.140549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.140549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.140549 (E_RNA) where: Base-Base interactions energy: -654.467 where: short stacking energy: -308.811 Base-Backbone interact. energy: 3.132 local terms energy: -337.806164 where: bonds (distance) C4'-P energy: -67.199 bonds (distance) P-C4' energy: -60.567 flat angles C4'-P-C4' energy: -76.682 flat angles P-C4'-P energy: -51.158 tors. eta vs tors. theta energy: -82.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -893.633814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.633814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.633814 (E_RNA) where: Base-Base interactions energy: -558.070 where: short stacking energy: -253.641 Base-Backbone interact. energy: -0.764 local terms energy: -334.800168 where: bonds (distance) C4'-P energy: -65.198 bonds (distance) P-C4' energy: -73.437 flat angles C4'-P-C4' energy: -85.753 flat angles P-C4'-P energy: -44.433 tors. eta vs tors. theta energy: -65.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -729.088628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.088628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.088628 (E_RNA) where: Base-Base interactions energy: -431.366 where: short stacking energy: -228.965 Base-Backbone interact. energy: 0.455 local terms energy: -298.177615 where: bonds (distance) C4'-P energy: -55.211 bonds (distance) P-C4' energy: -87.436 flat angles C4'-P-C4' energy: -71.013 flat angles P-C4'-P energy: -40.958 tors. eta vs tors. theta energy: -43.559 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: 1 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -709.348843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.348843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.348843 (E_RNA) where: Base-Base interactions energy: -431.191 where: short stacking energy: -233.979 Base-Backbone interact. energy: 1.870 local terms energy: -280.027269 where: bonds (distance) C4'-P energy: -59.874 bonds (distance) P-C4' energy: -64.020 flat angles C4'-P-C4' energy: -78.260 flat angles P-C4'-P energy: -31.567 tors. eta vs tors. theta energy: -46.306 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: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -555.234555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.234555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.234555 (E_RNA) where: Base-Base interactions energy: -288.344 where: short stacking energy: -174.335 Base-Backbone interact. energy: -2.456 local terms energy: -264.434522 where: bonds (distance) C4'-P energy: -67.010 bonds (distance) P-C4' energy: -64.053 flat angles C4'-P-C4' energy: -53.971 flat angles P-C4'-P energy: -51.378 tors. eta vs tors. theta energy: -28.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -427.641634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.641634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.641634 (E_RNA) where: Base-Base interactions energy: -206.409 where: short stacking energy: -137.057 Base-Backbone interact. energy: 1.217 local terms energy: -222.450214 where: bonds (distance) C4'-P energy: -60.773 bonds (distance) P-C4' energy: -62.321 flat angles C4'-P-C4' energy: -67.561 flat angles P-C4'-P energy: -33.365 tors. eta vs tors. theta energy: 1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -367.214231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.214231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.214231 (E_RNA) where: Base-Base interactions energy: -171.436 where: short stacking energy: -96.654 Base-Backbone interact. energy: -1.887 local terms energy: -193.892016 where: bonds (distance) C4'-P energy: -59.663 bonds (distance) P-C4' energy: -73.698 flat angles C4'-P-C4' energy: -52.037 flat angles P-C4'-P energy: -24.097 tors. eta vs tors. theta energy: 15.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1369.861912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.861912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.861912 (E_RNA) where: Base-Base interactions energy: -935.774 where: short stacking energy: -432.042 Base-Backbone interact. energy: 0.328 local terms energy: -434.416600 where: bonds (distance) C4'-P energy: -73.841 bonds (distance) P-C4' energy: -74.790 flat angles C4'-P-C4' energy: -96.117 flat angles P-C4'-P energy: -60.670 tors. eta vs tors. theta energy: -128.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1245.293439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.293439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.293439 (E_RNA) where: Base-Base interactions energy: -837.615 where: short stacking energy: -374.125 Base-Backbone interact. energy: -2.356 local terms energy: -405.321981 where: bonds (distance) C4'-P energy: -70.368 bonds (distance) P-C4' energy: -79.811 flat angles C4'-P-C4' energy: -87.044 flat angles P-C4'-P energy: -64.581 tors. eta vs tors. theta energy: -103.519 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: 95 Temperature: 1.000000 Total energy: -1208.900729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.900729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.900729 (E_RNA) where: Base-Base interactions energy: -783.169 where: short stacking energy: -374.188 Base-Backbone interact. energy: -1.864 local terms energy: -423.867116 where: bonds (distance) C4'-P energy: -86.017 bonds (distance) P-C4' energy: -74.980 flat angles C4'-P-C4' energy: -89.618 flat angles P-C4'-P energy: -60.163 tors. eta vs tors. theta energy: -113.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -988.704401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.704401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.704401 (E_RNA) where: Base-Base interactions energy: -639.735 where: short stacking energy: -310.281 Base-Backbone interact. energy: -3.081 local terms energy: -345.888767 where: bonds (distance) C4'-P energy: -73.205 bonds (distance) P-C4' energy: -64.332 flat angles C4'-P-C4' energy: -76.879 flat angles P-C4'-P energy: -51.043 tors. eta vs tors. theta energy: -80.430 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: 5, replica: 4 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -871.225782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.225782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.225782 (E_RNA) where: Base-Base interactions energy: -553.610 where: short stacking energy: -263.309 Base-Backbone interact. energy: -1.270 local terms energy: -316.346586 where: bonds (distance) C4'-P energy: -70.377 bonds (distance) P-C4' energy: -71.997 flat angles C4'-P-C4' energy: -68.693 flat angles P-C4'-P energy: -47.953 tors. eta vs tors. theta energy: -57.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -758.641219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.641219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.641219 (E_RNA) where: Base-Base interactions energy: -475.072 where: short stacking energy: -234.034 Base-Backbone interact. energy: 2.449 local terms energy: -286.018377 where: bonds (distance) C4'-P energy: -50.513 bonds (distance) P-C4' energy: -72.750 flat angles C4'-P-C4' energy: -73.043 flat angles P-C4'-P energy: -40.729 tors. eta vs tors. theta energy: -48.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -714.377048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.377048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.377048 (E_RNA) where: Base-Base interactions energy: -432.678 where: short stacking energy: -229.956 Base-Backbone interact. energy: 0.052 local terms energy: -281.750309 where: bonds (distance) C4'-P energy: -62.309 bonds (distance) P-C4' energy: -64.172 flat angles C4'-P-C4' energy: -69.049 flat angles P-C4'-P energy: -41.935 tors. eta vs tors. theta energy: -44.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -569.299606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.299606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.299606 (E_RNA) where: Base-Base interactions energy: -309.581 where: short stacking energy: -184.984 Base-Backbone interact. energy: -1.075 local terms energy: -258.643860 where: bonds (distance) C4'-P energy: -53.719 bonds (distance) P-C4' energy: -71.146 flat angles C4'-P-C4' energy: -58.619 flat angles P-C4'-P energy: -45.984 tors. eta vs tors. theta energy: -29.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -417.795382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.795382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.795382 (E_RNA) where: Base-Base interactions energy: -198.347 where: short stacking energy: -111.378 Base-Backbone interact. energy: 0.936 local terms energy: -220.384186 where: bonds (distance) C4'-P energy: -56.854 bonds (distance) P-C4' energy: -68.323 flat angles C4'-P-C4' energy: -64.767 flat angles P-C4'-P energy: -33.893 tors. eta vs tors. theta energy: 3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -354.683762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.683762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.683762 (E_RNA) where: Base-Base interactions energy: -141.040 where: short stacking energy: -109.620 Base-Backbone interact. energy: 4.629 local terms energy: -218.272127 where: bonds (distance) C4'-P energy: -65.422 bonds (distance) P-C4' energy: -68.942 flat angles C4'-P-C4' energy: -66.294 flat angles P-C4'-P energy: -15.617 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1357.647126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.647126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.647126 (E_RNA) where: Base-Base interactions energy: -904.556 where: short stacking energy: -413.673 Base-Backbone interact. energy: -0.669 local terms energy: -452.422072 where: bonds (distance) C4'-P energy: -86.191 bonds (distance) P-C4' energy: -77.686 flat angles C4'-P-C4' energy: -92.686 flat angles P-C4'-P energy: -63.484 tors. eta vs tors. theta energy: -132.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1247.146294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.146294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.146294 (E_RNA) where: Base-Base interactions energy: -837.068 where: short stacking energy: -357.530 Base-Backbone interact. energy: -2.030 local terms energy: -408.048345 where: bonds (distance) C4'-P energy: -78.874 bonds (distance) P-C4' energy: -75.173 flat angles C4'-P-C4' energy: -88.509 flat angles P-C4'-P energy: -58.729 tors. eta vs tors. theta energy: -106.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1212.071347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.071347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.071347 (E_RNA) where: Base-Base interactions energy: -771.880 where: short stacking energy: -365.975 Base-Backbone interact. energy: -2.233 local terms energy: -437.958502 where: bonds (distance) C4'-P energy: -91.295 bonds (distance) P-C4' energy: -82.731 flat angles C4'-P-C4' energy: -88.915 flat angles P-C4'-P energy: -59.865 tors. eta vs tors. theta energy: -115.153 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: 4, replica: 2 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1009.243815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.243815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.243815 (E_RNA) where: Base-Base interactions energy: -659.154 where: short stacking energy: -296.472 Base-Backbone interact. energy: -1.893 local terms energy: -348.196478 where: bonds (distance) C4'-P energy: -85.167 bonds (distance) P-C4' energy: -78.185 flat angles C4'-P-C4' energy: -65.883 flat angles P-C4'-P energy: -46.079 tors. eta vs tors. theta energy: -72.883 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: 4 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -889.348710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.348710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.348710 (E_RNA) where: Base-Base interactions energy: -559.296 where: short stacking energy: -272.431 Base-Backbone interact. energy: 2.528 local terms energy: -332.580626 where: bonds (distance) C4'-P energy: -67.966 bonds (distance) P-C4' energy: -72.420 flat angles C4'-P-C4' energy: -71.011 flat angles P-C4'-P energy: -57.000 tors. eta vs tors. theta energy: -64.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -749.271956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.271956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.271956 (E_RNA) where: Base-Base interactions energy: -445.563 where: short stacking energy: -217.999 Base-Backbone interact. energy: -1.739 local terms energy: -301.969054 where: bonds (distance) C4'-P energy: -75.064 bonds (distance) P-C4' energy: -71.588 flat angles C4'-P-C4' energy: -68.930 flat angles P-C4'-P energy: -47.211 tors. eta vs tors. theta energy: -39.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -745.172497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.172497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.172497 (E_RNA) where: Base-Base interactions energy: -476.556 where: short stacking energy: -241.006 Base-Backbone interact. energy: 1.635 local terms energy: -270.251088 where: bonds (distance) C4'-P energy: -55.272 bonds (distance) P-C4' energy: -63.220 flat angles C4'-P-C4' energy: -79.382 flat angles P-C4'-P energy: -31.192 tors. eta vs tors. theta energy: -41.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -564.160842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.160842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.160842 (E_RNA) where: Base-Base interactions energy: -297.039 where: short stacking energy: -156.106 Base-Backbone interact. energy: 0.125 local terms energy: -267.247146 where: bonds (distance) C4'-P energy: -59.254 bonds (distance) P-C4' energy: -68.657 flat angles C4'-P-C4' energy: -80.456 flat angles P-C4'-P energy: -30.157 tors. eta vs tors. theta energy: -28.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -445.095175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.095175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.095175 (E_RNA) where: Base-Base interactions energy: -219.282 where: short stacking energy: -148.414 Base-Backbone interact. energy: 2.663 local terms energy: -228.476099 where: bonds (distance) C4'-P energy: -63.741 bonds (distance) P-C4' energy: -64.943 flat angles C4'-P-C4' energy: -58.437 flat angles P-C4'-P energy: -27.219 tors. eta vs tors. theta energy: -14.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -325.090413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.090413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.090413 (E_RNA) where: Base-Base interactions energy: -105.923 where: short stacking energy: -93.397 Base-Backbone interact. energy: -0.749 local terms energy: -218.418536 where: bonds (distance) C4'-P energy: -61.426 bonds (distance) P-C4' energy: -70.293 flat angles C4'-P-C4' energy: -58.895 flat angles P-C4'-P energy: -35.083 tors. eta vs tors. theta energy: 7.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1356.237443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.237443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.237443 (E_RNA) where: Base-Base interactions energy: -917.359 where: short stacking energy: -391.410 Base-Backbone interact. energy: -0.627 local terms energy: -438.251354 where: bonds (distance) C4'-P energy: -83.933 bonds (distance) P-C4' energy: -84.038 flat angles C4'-P-C4' energy: -89.568 flat angles P-C4'-P energy: -60.314 tors. eta vs tors. theta energy: -120.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1273.723715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.723715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.723715 (E_RNA) where: Base-Base interactions energy: -857.384 where: short stacking energy: -390.759 Base-Backbone interact. energy: -1.867 local terms energy: -414.472419 where: bonds (distance) C4'-P energy: -73.069 bonds (distance) P-C4' energy: -71.060 flat angles C4'-P-C4' energy: -89.318 flat angles P-C4'-P energy: -58.060 tors. eta vs tors. theta energy: -122.966 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: 9 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1211.673483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.673483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.673483 (E_RNA) where: Base-Base interactions energy: -811.060 where: short stacking energy: -385.481 Base-Backbone interact. energy: 0.720 local terms energy: -401.333630 where: bonds (distance) C4'-P energy: -73.387 bonds (distance) P-C4' energy: -74.991 flat angles C4'-P-C4' energy: -82.362 flat angles P-C4'-P energy: -58.359 tors. eta vs tors. theta energy: -112.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -991.184060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.184060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.184060 (E_RNA) where: Base-Base interactions energy: -647.003 where: short stacking energy: -294.731 Base-Backbone interact. energy: -4.170 local terms energy: -340.010565 where: bonds (distance) C4'-P energy: -63.869 bonds (distance) P-C4' energy: -69.710 flat angles C4'-P-C4' energy: -82.220 flat angles P-C4'-P energy: -44.834 tors. eta vs tors. theta energy: -79.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -925.425535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.425535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.425535 (E_RNA) where: Base-Base interactions energy: -589.499 where: short stacking energy: -282.777 Base-Backbone interact. energy: -1.478 local terms energy: -334.448226 where: bonds (distance) C4'-P energy: -70.721 bonds (distance) P-C4' energy: -65.130 flat angles C4'-P-C4' energy: -73.125 flat angles P-C4'-P energy: -51.439 tors. eta vs tors. theta energy: -74.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -764.747304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.747304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.747304 (E_RNA) where: Base-Base interactions energy: -459.810 where: short stacking energy: -248.460 Base-Backbone interact. energy: -0.832 local terms energy: -304.104602 where: bonds (distance) C4'-P energy: -68.029 bonds (distance) P-C4' energy: -59.750 flat angles C4'-P-C4' energy: -72.286 flat angles P-C4'-P energy: -51.049 tors. eta vs tors. theta energy: -52.990 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: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -754.555019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.555019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.555019 (E_RNA) where: Base-Base interactions energy: -447.563 where: short stacking energy: -206.773 Base-Backbone interact. energy: -1.710 local terms energy: -305.282728 where: bonds (distance) C4'-P energy: -67.091 bonds (distance) P-C4' energy: -80.978 flat angles C4'-P-C4' energy: -67.181 flat angles P-C4'-P energy: -50.206 tors. eta vs tors. theta energy: -39.827 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: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -550.192547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.192547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.192547 (E_RNA) where: Base-Base interactions energy: -283.112 where: short stacking energy: -168.445 Base-Backbone interact. energy: -0.231 local terms energy: -266.848984 where: bonds (distance) C4'-P energy: -64.078 bonds (distance) P-C4' energy: -75.489 flat angles C4'-P-C4' energy: -64.744 flat angles P-C4'-P energy: -33.204 tors. eta vs tors. theta energy: -29.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -380.108912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.108912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.108912 (E_RNA) where: Base-Base interactions energy: -165.926 where: short stacking energy: -112.546 Base-Backbone interact. energy: 2.841 local terms energy: -217.024251 where: bonds (distance) C4'-P energy: -61.427 bonds (distance) P-C4' energy: -71.424 flat angles C4'-P-C4' energy: -58.623 flat angles P-C4'-P energy: -17.667 tors. eta vs tors. theta energy: -7.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -332.106887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.106887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.106887 (E_RNA) where: Base-Base interactions energy: -120.859 where: short stacking energy: -107.708 Base-Backbone interact. energy: -0.407 local terms energy: -210.840802 where: bonds (distance) C4'-P energy: -61.062 bonds (distance) P-C4' energy: -63.999 flat angles C4'-P-C4' energy: -63.929 flat angles P-C4'-P energy: -34.029 tors. eta vs tors. theta energy: 12.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1366.052674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.052674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.052674 (E_RNA) where: Base-Base interactions energy: -919.135 where: short stacking energy: -410.152 Base-Backbone interact. energy: 0.644 local terms energy: -447.561692 where: bonds (distance) C4'-P energy: -76.424 bonds (distance) P-C4' energy: -82.521 flat angles C4'-P-C4' energy: -86.277 flat angles P-C4'-P energy: -75.632 tors. eta vs tors. theta energy: -126.708 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: 7 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1269.128293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.128293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.128293 (E_RNA) where: Base-Base interactions energy: -873.226 where: short stacking energy: -387.852 Base-Backbone interact. energy: -2.219 local terms energy: -393.683533 where: bonds (distance) C4'-P energy: -82.760 bonds (distance) P-C4' energy: -74.559 flat angles C4'-P-C4' energy: -86.849 flat angles P-C4'-P energy: -37.176 tors. eta vs tors. theta energy: -112.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1209.350201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.350201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.350201 (E_RNA) where: Base-Base interactions energy: -802.811 where: short stacking energy: -372.571 Base-Backbone interact. energy: -0.450 local terms energy: -406.089607 where: bonds (distance) C4'-P energy: -66.261 bonds (distance) P-C4' energy: -80.912 flat angles C4'-P-C4' energy: -98.382 flat angles P-C4'-P energy: -53.640 tors. eta vs tors. theta energy: -106.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -978.772229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.772229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.772229 (E_RNA) where: Base-Base interactions energy: -637.567 where: short stacking energy: -302.726 Base-Backbone interact. energy: -4.036 local terms energy: -337.168816 where: bonds (distance) C4'-P energy: -65.104 bonds (distance) P-C4' energy: -73.647 flat angles C4'-P-C4' energy: -75.150 flat angles P-C4'-P energy: -56.725 tors. eta vs tors. theta energy: -66.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -893.262825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.262825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.262825 (E_RNA) where: Base-Base interactions energy: -563.137 where: short stacking energy: -280.914 Base-Backbone interact. energy: -0.968 local terms energy: -329.157696 where: bonds (distance) C4'-P energy: -71.988 bonds (distance) P-C4' energy: -69.660 flat angles C4'-P-C4' energy: -70.579 flat angles P-C4'-P energy: -51.931 tors. eta vs tors. theta energy: -65.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -768.373236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.373236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.373236 (E_RNA) where: Base-Base interactions energy: -455.906 where: short stacking energy: -250.337 Base-Backbone interact. energy: -1.459 local terms energy: -311.008068 where: bonds (distance) C4'-P energy: -71.318 bonds (distance) P-C4' energy: -76.232 flat angles C4'-P-C4' energy: -72.632 flat angles P-C4'-P energy: -47.419 tors. eta vs tors. theta energy: -43.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -718.559965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.559965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.559965 (E_RNA) where: Base-Base interactions energy: -422.407 where: short stacking energy: -212.792 Base-Backbone interact. energy: 5.895 local terms energy: -302.048033 where: bonds (distance) C4'-P energy: -66.340 bonds (distance) P-C4' energy: -76.268 flat angles C4'-P-C4' energy: -75.116 flat angles P-C4'-P energy: -45.536 tors. eta vs tors. theta energy: -38.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -537.542477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.542477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.542477 (E_RNA) where: Base-Base interactions energy: -307.385 where: short stacking energy: -154.418 Base-Backbone interact. energy: -1.787 local terms energy: -228.370436 where: bonds (distance) C4'-P energy: -54.900 bonds (distance) P-C4' energy: -56.324 flat angles C4'-P-C4' energy: -76.084 flat angles P-C4'-P energy: -33.511 tors. eta vs tors. theta energy: -7.552 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: 8 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -352.065865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.065865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.065865 (E_RNA) where: Base-Base interactions energy: -130.486 where: short stacking energy: -115.369 Base-Backbone interact. energy: 3.289 local terms energy: -224.868407 where: bonds (distance) C4'-P energy: -68.108 bonds (distance) P-C4' energy: -74.499 flat angles C4'-P-C4' energy: -55.026 flat angles P-C4'-P energy: -21.257 tors. eta vs tors. theta energy: -5.979 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: 3 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -344.993714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.993714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.993714 (E_RNA) where: Base-Base interactions energy: -137.184 where: short stacking energy: -93.800 Base-Backbone interact. energy: -1.151 local terms energy: -206.658270 where: bonds (distance) C4'-P energy: -64.827 bonds (distance) P-C4' energy: -62.634 flat angles C4'-P-C4' energy: -62.109 flat angles P-C4'-P energy: -31.988 tors. eta vs tors. theta energy: 14.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1350.013657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.013657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.013657 (E_RNA) where: Base-Base interactions energy: -919.842 where: short stacking energy: -419.180 Base-Backbone interact. energy: -0.162 local terms energy: -430.009296 where: bonds (distance) C4'-P energy: -84.160 bonds (distance) P-C4' energy: -73.374 flat angles C4'-P-C4' energy: -84.142 flat angles P-C4'-P energy: -60.464 tors. eta vs tors. theta energy: -127.869 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: 7 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1276.308248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.308248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.308248 (E_RNA) where: Base-Base interactions energy: -869.846 where: short stacking energy: -383.614 Base-Backbone interact. energy: 0.233 local terms energy: -406.694822 where: bonds (distance) C4'-P energy: -72.404 bonds (distance) P-C4' energy: -77.643 flat angles C4'-P-C4' energy: -83.377 flat angles P-C4'-P energy: -55.269 tors. eta vs tors. theta energy: -118.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1175.759424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.759424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.759424 (E_RNA) where: Base-Base interactions energy: -791.641 where: short stacking energy: -356.933 Base-Backbone interact. energy: -0.818 local terms energy: -383.300183 where: bonds (distance) C4'-P energy: -74.279 bonds (distance) P-C4' energy: -67.071 flat angles C4'-P-C4' energy: -82.177 flat angles P-C4'-P energy: -57.818 tors. eta vs tors. theta energy: -101.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1015.982618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.982618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.982618 (E_RNA) where: Base-Base interactions energy: -676.085 where: short stacking energy: -329.889 Base-Backbone interact. energy: -1.347 local terms energy: -338.551159 where: bonds (distance) C4'-P energy: -58.452 bonds (distance) P-C4' energy: -75.990 flat angles C4'-P-C4' energy: -74.476 flat angles P-C4'-P energy: -45.990 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: 5, replica: 4 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -878.481297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.481297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.481297 (E_RNA) where: Base-Base interactions energy: -546.138 where: short stacking energy: -247.510 Base-Backbone interact. energy: -1.353 local terms energy: -330.989757 where: bonds (distance) C4'-P energy: -76.908 bonds (distance) P-C4' energy: -76.230 flat angles C4'-P-C4' energy: -74.824 flat angles P-C4'-P energy: -49.575 tors. eta vs tors. theta energy: -53.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -756.257572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.257572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.257572 (E_RNA) where: Base-Base interactions energy: -432.474 where: short stacking energy: -242.576 Base-Backbone interact. energy: -2.234 local terms energy: -321.549183 where: bonds (distance) C4'-P energy: -61.957 bonds (distance) P-C4' energy: -82.530 flat angles C4'-P-C4' energy: -76.716 flat angles P-C4'-P energy: -39.197 tors. eta vs tors. theta energy: -61.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -658.470482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.470482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.470482 (E_RNA) where: Base-Base interactions energy: -367.200 where: short stacking energy: -193.254 Base-Backbone interact. energy: -1.279 local terms energy: -289.991083 where: bonds (distance) C4'-P energy: -65.980 bonds (distance) P-C4' energy: -67.890 flat angles C4'-P-C4' energy: -74.394 flat angles P-C4'-P energy: -49.053 tors. eta vs tors. theta energy: -32.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -584.263604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.263604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.263604 (E_RNA) where: Base-Base interactions energy: -322.407 where: short stacking energy: -186.161 Base-Backbone interact. energy: -1.521 local terms energy: -260.335912 where: bonds (distance) C4'-P energy: -64.809 bonds (distance) P-C4' energy: -67.678 flat angles C4'-P-C4' energy: -69.421 flat angles P-C4'-P energy: -33.510 tors. eta vs tors. theta energy: -24.918 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: 8 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -346.916283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.916283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.916283 (E_RNA) where: Base-Base interactions energy: -106.891 where: short stacking energy: -99.897 Base-Backbone interact. energy: -2.491 local terms energy: -237.534285 where: bonds (distance) C4'-P energy: -72.572 bonds (distance) P-C4' energy: -72.504 flat angles C4'-P-C4' energy: -56.763 flat angles P-C4'-P energy: -37.021 tors. eta vs tors. theta energy: 1.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -338.690283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.690283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.690283 (E_RNA) where: Base-Base interactions energy: -130.790 where: short stacking energy: -114.904 Base-Backbone interact. energy: -1.640 local terms energy: -206.260145 where: bonds (distance) C4'-P energy: -55.260 bonds (distance) P-C4' energy: -83.971 flat angles C4'-P-C4' energy: -48.066 flat angles P-C4'-P energy: -27.763 tors. eta vs tors. theta energy: 8.800 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: 10 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1354.933888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.933888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.933888 (E_RNA) where: Base-Base interactions energy: -915.297 where: short stacking energy: -406.009 Base-Backbone interact. energy: 1.583 local terms energy: -441.219449 where: bonds (distance) C4'-P energy: -90.935 bonds (distance) P-C4' energy: -67.826 flat angles C4'-P-C4' energy: -93.796 flat angles P-C4'-P energy: -60.330 tors. eta vs tors. theta energy: -128.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1220.681564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.681564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.681564 (E_RNA) where: Base-Base interactions energy: -809.639 where: short stacking energy: -371.661 Base-Backbone interact. energy: -2.632 local terms energy: -408.411294 where: bonds (distance) C4'-P energy: -73.250 bonds (distance) P-C4' energy: -82.444 flat angles C4'-P-C4' energy: -88.771 flat angles P-C4'-P energy: -57.908 tors. eta vs tors. theta energy: -106.039 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: 9 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1187.033244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.033244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.033244 (E_RNA) where: Base-Base interactions energy: -785.918 where: short stacking energy: -373.918 Base-Backbone interact. energy: -1.089 local terms energy: -400.026344 where: bonds (distance) C4'-P energy: -69.068 bonds (distance) P-C4' energy: -76.911 flat angles C4'-P-C4' energy: -81.279 flat angles P-C4'-P energy: -62.161 tors. eta vs tors. theta energy: -110.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1010.259377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.259377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.259377 (E_RNA) where: Base-Base interactions energy: -628.533 where: short stacking energy: -306.381 Base-Backbone interact. energy: 0.536 local terms energy: -382.262600 where: bonds (distance) C4'-P energy: -71.798 bonds (distance) P-C4' energy: -82.922 flat angles C4'-P-C4' energy: -86.767 flat angles P-C4'-P energy: -57.779 tors. eta vs tors. theta energy: -82.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -902.747806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.747806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.747806 (E_RNA) where: Base-Base interactions energy: -595.440 where: short stacking energy: -295.811 Base-Backbone interact. energy: -0.106 local terms energy: -307.201705 where: bonds (distance) C4'-P energy: -71.273 bonds (distance) P-C4' energy: -70.415 flat angles C4'-P-C4' energy: -72.985 flat angles P-C4'-P energy: -34.624 tors. eta vs tors. theta energy: -57.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -788.626912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.626912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.626912 (E_RNA) where: Base-Base interactions energy: -460.290 where: short stacking energy: -247.207 Base-Backbone interact. energy: -1.722 local terms energy: -326.615613 where: bonds (distance) C4'-P energy: -75.756 bonds (distance) P-C4' energy: -76.100 flat angles C4'-P-C4' energy: -69.695 flat angles P-C4'-P energy: -53.174 tors. eta vs tors. theta energy: -51.891 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: 6 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -714.042330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.042330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.042330 (E_RNA) where: Base-Base interactions energy: -429.825 where: short stacking energy: -220.745 Base-Backbone interact. energy: 0.957 local terms energy: -285.173479 where: bonds (distance) C4'-P energy: -74.998 bonds (distance) P-C4' energy: -67.475 flat angles C4'-P-C4' energy: -63.095 flat angles P-C4'-P energy: -33.065 tors. eta vs tors. theta energy: -46.540 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: 5 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -569.105938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.105938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.105938 (E_RNA) where: Base-Base interactions energy: -311.688 where: short stacking energy: -148.982 Base-Backbone interact. energy: 2.164 local terms energy: -259.581274 where: bonds (distance) C4'-P energy: -72.820 bonds (distance) P-C4' energy: -85.303 flat angles C4'-P-C4' energy: -72.928 flat angles P-C4'-P energy: -21.790 tors. eta vs tors. theta energy: -6.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -351.254142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.254142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.254142 (E_RNA) where: Base-Base interactions energy: -133.776 where: short stacking energy: -113.555 Base-Backbone interact. energy: -1.762 local terms energy: -215.716164 where: bonds (distance) C4'-P energy: -73.251 bonds (distance) P-C4' energy: -61.744 flat angles C4'-P-C4' energy: -52.083 flat angles P-C4'-P energy: -34.102 tors. eta vs tors. theta energy: 5.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -320.471315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.471315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.471315 (E_RNA) where: Base-Base interactions energy: -118.143 where: short stacking energy: -96.674 Base-Backbone interact. energy: -1.032 local terms energy: -201.296484 where: bonds (distance) C4'-P energy: -49.584 bonds (distance) P-C4' energy: -68.549 flat angles C4'-P-C4' energy: -66.032 flat angles P-C4'-P energy: -23.450 tors. eta vs tors. theta energy: 6.318 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: 10 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1350.002134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.002134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.002134 (E_RNA) where: Base-Base interactions energy: -920.351 where: short stacking energy: -418.346 Base-Backbone interact. energy: -1.632 local terms energy: -428.019168 where: bonds (distance) C4'-P energy: -75.432 bonds (distance) P-C4' energy: -80.729 flat angles C4'-P-C4' energy: -87.948 flat angles P-C4'-P energy: -62.283 tors. eta vs tors. theta energy: -121.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1263.017264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.017264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.017264 (E_RNA) where: Base-Base interactions energy: -853.523 where: short stacking energy: -382.757 Base-Backbone interact. energy: -2.999 local terms energy: -406.495093 where: bonds (distance) C4'-P energy: -78.265 bonds (distance) P-C4' energy: -79.178 flat angles C4'-P-C4' energy: -86.258 flat angles P-C4'-P energy: -52.780 tors. eta vs tors. theta energy: -110.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1198.806759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.806759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.806759 (E_RNA) where: Base-Base interactions energy: -799.719 where: short stacking energy: -395.616 Base-Backbone interact. energy: 5.220 local terms energy: -404.307573 where: bonds (distance) C4'-P energy: -69.515 bonds (distance) P-C4' energy: -70.053 flat angles C4'-P-C4' energy: -87.391 flat angles P-C4'-P energy: -63.246 tors. eta vs tors. theta energy: -114.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -968.327219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.327219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.327219 (E_RNA) where: Base-Base interactions energy: -630.038 where: short stacking energy: -296.459 Base-Backbone interact. energy: -1.194 local terms energy: -337.095041 where: bonds (distance) C4'-P energy: -71.489 bonds (distance) P-C4' energy: -84.538 flat angles C4'-P-C4' energy: -78.285 flat angles P-C4'-P energy: -42.072 tors. eta vs tors. theta energy: -60.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -880.952310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.952310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.952310 (E_RNA) where: Base-Base interactions energy: -540.095 where: short stacking energy: -255.550 Base-Backbone interact. energy: -2.424 local terms energy: -338.432534 where: bonds (distance) C4'-P energy: -54.086 bonds (distance) P-C4' energy: -74.638 flat angles C4'-P-C4' energy: -87.680 flat angles P-C4'-P energy: -47.444 tors. eta vs tors. theta energy: -74.584 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: 1 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -771.427274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.427274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.427274 (E_RNA) where: Base-Base interactions energy: -456.472 where: short stacking energy: -236.355 Base-Backbone interact. energy: -0.318 local terms energy: -314.637819 where: bonds (distance) C4'-P energy: -65.253 bonds (distance) P-C4' energy: -66.240 flat angles C4'-P-C4' energy: -80.433 flat angles P-C4'-P energy: -53.577 tors. eta vs tors. theta energy: -49.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -727.747152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.747152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.747152 (E_RNA) where: Base-Base interactions energy: -434.158 where: short stacking energy: -223.888 Base-Backbone interact. energy: 1.544 local terms energy: -295.132251 where: bonds (distance) C4'-P energy: -64.547 bonds (distance) P-C4' energy: -74.111 flat angles C4'-P-C4' energy: -76.268 flat angles P-C4'-P energy: -47.182 tors. eta vs tors. theta energy: -33.024 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: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -517.953246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.953246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.953246 (E_RNA) where: Base-Base interactions energy: -268.455 where: short stacking energy: -149.723 Base-Backbone interact. energy: -1.821 local terms energy: -247.677430 where: bonds (distance) C4'-P energy: -71.441 bonds (distance) P-C4' energy: -76.199 flat angles C4'-P-C4' energy: -50.046 flat angles P-C4'-P energy: -34.988 tors. eta vs tors. theta energy: -15.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -371.291862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.291862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.291862 (E_RNA) where: Base-Base interactions energy: -131.928 where: short stacking energy: -117.948 Base-Backbone interact. energy: 2.251 local terms energy: -241.615328 where: bonds (distance) C4'-P energy: -60.560 bonds (distance) P-C4' energy: -71.258 flat angles C4'-P-C4' energy: -56.978 flat angles P-C4'-P energy: -46.424 tors. eta vs tors. theta energy: -6.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -331.258633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.258633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.258633 (E_RNA) where: Base-Base interactions energy: -121.455 where: short stacking energy: -86.149 Base-Backbone interact. energy: 0.645 local terms energy: -210.448504 where: bonds (distance) C4'-P energy: -75.507 bonds (distance) P-C4' energy: -68.594 flat angles C4'-P-C4' energy: -63.719 flat angles P-C4'-P energy: -19.734 tors. eta vs tors. theta energy: 17.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1365.009152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.009152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.009152 (E_RNA) where: Base-Base interactions energy: -925.147 where: short stacking energy: -433.291 Base-Backbone interact. energy: -0.462 local terms energy: -439.400121 where: bonds (distance) C4'-P energy: -76.048 bonds (distance) P-C4' energy: -85.164 flat angles C4'-P-C4' energy: -88.218 flat angles P-C4'-P energy: -58.053 tors. eta vs tors. theta energy: -131.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1239.023480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.023480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.023480 (E_RNA) where: Base-Base interactions energy: -828.877 where: short stacking energy: -371.833 Base-Backbone interact. energy: -2.127 local terms energy: -408.020388 where: bonds (distance) C4'-P energy: -74.537 bonds (distance) P-C4' energy: -76.642 flat angles C4'-P-C4' energy: -90.242 flat angles P-C4'-P energy: -58.659 tors. eta vs tors. theta energy: -107.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1188.297439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.297439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.297439 (E_RNA) where: Base-Base interactions energy: -784.056 where: short stacking energy: -370.291 Base-Backbone interact. energy: -1.377 local terms energy: -402.864425 where: bonds (distance) C4'-P energy: -80.206 bonds (distance) P-C4' energy: -73.628 flat angles C4'-P-C4' energy: -88.229 flat angles P-C4'-P energy: -50.993 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: 4, replica: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -995.100038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.100038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.100038 (E_RNA) where: Base-Base interactions energy: -633.396 where: short stacking energy: -308.174 Base-Backbone interact. energy: -3.405 local terms energy: -358.298965 where: bonds (distance) C4'-P energy: -66.615 bonds (distance) P-C4' energy: -83.872 flat angles C4'-P-C4' energy: -91.700 flat angles P-C4'-P energy: -47.831 tors. eta vs tors. theta energy: -68.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -879.994272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.994272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.994272 (E_RNA) where: Base-Base interactions energy: -527.214 where: short stacking energy: -273.519 Base-Backbone interact. energy: -0.226 local terms energy: -352.554134 where: bonds (distance) C4'-P energy: -66.203 bonds (distance) P-C4' energy: -81.877 flat angles C4'-P-C4' energy: -84.323 flat angles P-C4'-P energy: -50.471 tors. eta vs tors. theta energy: -69.680 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: 6, replica: 1 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -755.470203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.470203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.470203 (E_RNA) where: Base-Base interactions energy: -429.625 where: short stacking energy: -225.610 Base-Backbone interact. energy: -1.216 local terms energy: -324.629593 where: bonds (distance) C4'-P energy: -77.239 bonds (distance) P-C4' energy: -78.228 flat angles C4'-P-C4' energy: -67.017 flat angles P-C4'-P energy: -48.418 tors. eta vs tors. theta energy: -53.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -672.952118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.952118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.952118 (E_RNA) where: Base-Base interactions energy: -401.947 where: short stacking energy: -210.511 Base-Backbone interact. energy: -2.375 local terms energy: -268.629996 where: bonds (distance) C4'-P energy: -58.932 bonds (distance) P-C4' energy: -67.174 flat angles C4'-P-C4' energy: -68.585 flat angles P-C4'-P energy: -42.687 tors. eta vs tors. theta energy: -31.252 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: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -518.533697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.533697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.533697 (E_RNA) where: Base-Base interactions energy: -242.661 where: short stacking energy: -159.574 Base-Backbone interact. energy: -0.491 local terms energy: -275.382289 where: bonds (distance) C4'-P energy: -80.673 bonds (distance) P-C4' energy: -75.055 flat angles C4'-P-C4' energy: -62.400 flat angles P-C4'-P energy: -40.319 tors. eta vs tors. theta energy: -16.936 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: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -380.206239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.206239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.206239 (E_RNA) where: Base-Base interactions energy: -122.146 where: short stacking energy: -102.907 Base-Backbone interact. energy: -2.465 local terms energy: -255.595160 where: bonds (distance) C4'-P energy: -74.632 bonds (distance) P-C4' energy: -77.674 flat angles C4'-P-C4' energy: -63.392 flat angles P-C4'-P energy: -39.838 tors. eta vs tors. theta energy: -0.059 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: 10, replica: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -353.200131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.200131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.200131 (E_RNA) where: Base-Base interactions energy: -121.164 where: short stacking energy: -98.153 Base-Backbone interact. energy: 0.424 local terms energy: -232.460689 where: bonds (distance) C4'-P energy: -66.015 bonds (distance) P-C4' energy: -77.285 flat angles C4'-P-C4' energy: -60.288 flat angles P-C4'-P energy: -39.370 tors. eta vs tors. theta energy: 10.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1358.899951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.899951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.899951 (E_RNA) where: Base-Base interactions energy: -930.223 where: short stacking energy: -407.332 Base-Backbone interact. energy: -1.937 local terms energy: -426.739673 where: bonds (distance) C4'-P energy: -78.329 bonds (distance) P-C4' energy: -77.095 flat angles C4'-P-C4' energy: -88.315 flat angles P-C4'-P energy: -60.391 tors. eta vs tors. theta energy: -122.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1257.352905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.352905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.352905 (E_RNA) where: Base-Base interactions energy: -827.464 where: short stacking energy: -408.145 Base-Backbone interact. energy: -2.548 local terms energy: -427.341049 where: bonds (distance) C4'-P energy: -73.042 bonds (distance) P-C4' energy: -85.029 flat angles C4'-P-C4' energy: -86.672 flat angles P-C4'-P energy: -64.383 tors. eta vs tors. theta energy: -118.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1218.037321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.037321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.037321 (E_RNA) where: Base-Base interactions energy: -832.743 where: short stacking energy: -361.199 Base-Backbone interact. energy: 4.225 local terms energy: -389.519812 where: bonds (distance) C4'-P energy: -71.823 bonds (distance) P-C4' energy: -65.268 flat angles C4'-P-C4' energy: -90.789 flat angles P-C4'-P energy: -56.934 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: 4, replica: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1005.635111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.635111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.635111 (E_RNA) where: Base-Base interactions energy: -653.528 where: short stacking energy: -296.020 Base-Backbone interact. energy: -1.067 local terms energy: -351.040089 where: bonds (distance) C4'-P energy: -70.841 bonds (distance) P-C4' energy: -70.448 flat angles C4'-P-C4' energy: -82.167 flat angles P-C4'-P energy: -55.848 tors. eta vs tors. theta energy: -71.736 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: 4 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -903.966939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.966939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.966939 (E_RNA) where: Base-Base interactions energy: -544.189 where: short stacking energy: -261.566 Base-Backbone interact. energy: 1.842 local terms energy: -361.619859 where: bonds (distance) C4'-P energy: -75.711 bonds (distance) P-C4' energy: -71.446 flat angles C4'-P-C4' energy: -78.457 flat angles P-C4'-P energy: -59.338 tors. eta vs tors. theta energy: -76.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -816.827116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.827116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.827116 (E_RNA) where: Base-Base interactions energy: -495.259 where: short stacking energy: -264.772 Base-Backbone interact. energy: -0.495 local terms energy: -321.073220 where: bonds (distance) C4'-P energy: -68.421 bonds (distance) P-C4' energy: -70.047 flat angles C4'-P-C4' energy: -76.736 flat angles P-C4'-P energy: -49.348 tors. eta vs tors. theta energy: -56.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -690.062718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.062718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.062718 (E_RNA) where: Base-Base interactions energy: -404.491 where: short stacking energy: -207.899 Base-Backbone interact. energy: 10.253 local terms energy: -295.824411 where: bonds (distance) C4'-P energy: -65.181 bonds (distance) P-C4' energy: -77.518 flat angles C4'-P-C4' energy: -70.841 flat angles P-C4'-P energy: -41.678 tors. eta vs tors. theta energy: -40.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -466.040083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.040083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.040083 (E_RNA) where: Base-Base interactions energy: -238.905 where: short stacking energy: -153.875 Base-Backbone interact. energy: -1.121 local terms energy: -226.013831 where: bonds (distance) C4'-P energy: -63.718 bonds (distance) P-C4' energy: -69.207 flat angles C4'-P-C4' energy: -60.726 flat angles P-C4'-P energy: -22.962 tors. eta vs tors. theta energy: -9.400 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: 3 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -392.651867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.651867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.651867 (E_RNA) where: Base-Base interactions energy: -157.730 where: short stacking energy: -121.810 Base-Backbone interact. energy: 9.280 local terms energy: -244.202104 where: bonds (distance) C4'-P energy: -64.613 bonds (distance) P-C4' energy: -75.833 flat angles C4'-P-C4' energy: -68.390 flat angles P-C4'-P energy: -38.596 tors. eta vs tors. theta energy: 3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -361.768552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.768552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.768552 (E_RNA) where: Base-Base interactions energy: -139.278 where: short stacking energy: -101.580 Base-Backbone interact. energy: -1.834 local terms energy: -220.657150 where: bonds (distance) C4'-P energy: -49.474 bonds (distance) P-C4' energy: -68.483 flat angles C4'-P-C4' energy: -75.640 flat angles P-C4'-P energy: -32.841 tors. eta vs tors. theta energy: 5.781 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: 10 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1358.342791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.342791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.342791 (E_RNA) where: Base-Base interactions energy: -911.621 where: short stacking energy: -429.389 Base-Backbone interact. energy: -0.234 local terms energy: -446.487492 where: bonds (distance) C4'-P energy: -79.596 bonds (distance) P-C4' energy: -81.436 flat angles C4'-P-C4' energy: -98.331 flat angles P-C4'-P energy: -59.234 tors. eta vs tors. theta energy: -127.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1234.669202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.669202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.669202 (E_RNA) where: Base-Base interactions energy: -809.857 where: short stacking energy: -409.604 Base-Backbone interact. energy: -0.512 local terms energy: -424.300738 where: bonds (distance) C4'-P energy: -80.302 bonds (distance) P-C4' energy: -78.103 flat angles C4'-P-C4' energy: -83.225 flat angles P-C4'-P energy: -66.326 tors. eta vs tors. theta energy: -116.346 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: 7 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1223.055204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.055204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.055204 (E_RNA) where: Base-Base interactions energy: -817.710 where: short stacking energy: -350.925 Base-Backbone interact. energy: 2.054 local terms energy: -407.399014 where: bonds (distance) C4'-P energy: -70.562 bonds (distance) P-C4' energy: -81.913 flat angles C4'-P-C4' energy: -90.253 flat angles P-C4'-P energy: -60.013 tors. eta vs tors. theta energy: -104.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1043.151425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.151425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.151425 (E_RNA) where: Base-Base interactions energy: -673.556 where: short stacking energy: -310.762 Base-Backbone interact. energy: 1.555 local terms energy: -371.150144 where: bonds (distance) C4'-P energy: -77.006 bonds (distance) P-C4' energy: -73.455 flat angles C4'-P-C4' energy: -78.303 flat angles P-C4'-P energy: -58.916 tors. eta vs tors. theta energy: -83.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -808.849131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.849131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.849131 (E_RNA) where: Base-Base interactions energy: -472.811 where: short stacking energy: -269.492 Base-Backbone interact. energy: 3.557 local terms energy: -339.594443 where: bonds (distance) C4'-P energy: -67.146 bonds (distance) P-C4' energy: -76.310 flat angles C4'-P-C4' energy: -79.504 flat angles P-C4'-P energy: -54.831 tors. eta vs tors. theta energy: -61.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -848.337597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.337597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.337597 (E_RNA) where: Base-Base interactions energy: -517.319 where: short stacking energy: -256.669 Base-Backbone interact. energy: -0.826 local terms energy: -330.193209 where: bonds (distance) C4'-P energy: -74.658 bonds (distance) P-C4' energy: -68.362 flat angles C4'-P-C4' energy: -82.046 flat angles P-C4'-P energy: -40.174 tors. eta vs tors. theta energy: -64.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -737.347207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.347207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.347207 (E_RNA) where: Base-Base interactions energy: -436.540 where: short stacking energy: -224.477 Base-Backbone interact. energy: -1.119 local terms energy: -299.688294 where: bonds (distance) C4'-P energy: -66.683 bonds (distance) P-C4' energy: -73.238 flat angles C4'-P-C4' energy: -69.343 flat angles P-C4'-P energy: -53.345 tors. eta vs tors. theta energy: -37.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -491.369088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.369088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.369088 (E_RNA) where: Base-Base interactions energy: -239.745 where: short stacking energy: -140.781 Base-Backbone interact. energy: -1.301 local terms energy: -250.322810 where: bonds (distance) C4'-P energy: -77.775 bonds (distance) P-C4' energy: -59.921 flat angles C4'-P-C4' energy: -60.748 flat angles P-C4'-P energy: -43.940 tors. eta vs tors. theta energy: -7.940 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: 3 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -418.813700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.813700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.813700 (E_RNA) where: Base-Base interactions energy: -198.129 where: short stacking energy: -108.634 Base-Backbone interact. energy: -0.774 local terms energy: -219.910231 where: bonds (distance) C4'-P energy: -65.716 bonds (distance) P-C4' energy: -54.416 flat angles C4'-P-C4' energy: -59.823 flat angles P-C4'-P energy: -45.176 tors. eta vs tors. theta energy: 5.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -322.617328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.617328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.617328 (E_RNA) where: Base-Base interactions energy: -122.002 where: short stacking energy: -97.623 Base-Backbone interact. energy: -0.874 local terms energy: -199.742042 where: bonds (distance) C4'-P energy: -68.767 bonds (distance) P-C4' energy: -67.192 flat angles C4'-P-C4' energy: -57.798 flat angles P-C4'-P energy: -24.211 tors. eta vs tors. theta energy: 18.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1376.171299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.171299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.171299 (E_RNA) where: Base-Base interactions energy: -916.552 where: short stacking energy: -429.523 Base-Backbone interact. energy: -0.877 local terms energy: -458.741892 where: bonds (distance) C4'-P energy: -78.868 bonds (distance) P-C4' energy: -81.969 flat angles C4'-P-C4' energy: -95.467 flat angles P-C4'-P energy: -66.046 tors. eta vs tors. theta energy: -136.392 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: 7 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1269.099932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.099932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.099932 (E_RNA) where: Base-Base interactions energy: -848.726 where: short stacking energy: -379.440 Base-Backbone interact. energy: 1.576 local terms energy: -421.950052 where: bonds (distance) C4'-P energy: -83.526 bonds (distance) P-C4' energy: -83.814 flat angles C4'-P-C4' energy: -81.744 flat angles P-C4'-P energy: -55.167 tors. eta vs tors. theta energy: -117.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1185.629729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.629729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.629729 (E_RNA) where: Base-Base interactions energy: -780.455 where: short stacking energy: -368.426 Base-Backbone interact. energy: -0.040 local terms energy: -405.135162 where: bonds (distance) C4'-P energy: -79.875 bonds (distance) P-C4' energy: -72.083 flat angles C4'-P-C4' energy: -87.675 flat angles P-C4'-P energy: -57.967 tors. eta vs tors. theta energy: -107.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1035.951593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.951593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.951593 (E_RNA) where: Base-Base interactions energy: -684.733 where: short stacking energy: -314.072 Base-Backbone interact. energy: -3.197 local terms energy: -348.021858 where: bonds (distance) C4'-P energy: -66.544 bonds (distance) P-C4' energy: -72.802 flat angles C4'-P-C4' energy: -72.173 flat angles P-C4'-P energy: -53.136 tors. eta vs tors. theta energy: -83.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -827.893176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.893176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.893176 (E_RNA) where: Base-Base interactions energy: -496.688 where: short stacking energy: -276.184 Base-Backbone interact. energy: 2.096 local terms energy: -333.300985 where: bonds (distance) C4'-P energy: -76.185 bonds (distance) P-C4' energy: -66.171 flat angles C4'-P-C4' energy: -66.839 flat angles P-C4'-P energy: -56.264 tors. eta vs tors. theta energy: -67.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -813.587897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.587897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.587897 (E_RNA) where: Base-Base interactions energy: -496.927 where: short stacking energy: -260.565 Base-Backbone interact. energy: 0.188 local terms energy: -316.848626 where: bonds (distance) C4'-P energy: -70.898 bonds (distance) P-C4' energy: -72.737 flat angles C4'-P-C4' energy: -77.119 flat angles P-C4'-P energy: -38.326 tors. eta vs tors. theta energy: -57.768 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: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -644.028847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.028847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.028847 (E_RNA) where: Base-Base interactions energy: -379.195 where: short stacking energy: -194.789 Base-Backbone interact. energy: -0.682 local terms energy: -264.151995 where: bonds (distance) C4'-P energy: -78.283 bonds (distance) P-C4' energy: -68.047 flat angles C4'-P-C4' energy: -53.114 flat angles P-C4'-P energy: -47.669 tors. eta vs tors. theta energy: -17.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -540.832216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.832216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.832216 (E_RNA) where: Base-Base interactions energy: -271.070 where: short stacking energy: -180.778 Base-Backbone interact. energy: -1.293 local terms energy: -268.469549 where: bonds (distance) C4'-P energy: -71.628 bonds (distance) P-C4' energy: -59.763 flat angles C4'-P-C4' energy: -69.668 flat angles P-C4'-P energy: -39.823 tors. eta vs tors. theta energy: -27.587 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: 9, replica: 3 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -417.274643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.274643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.274643 (E_RNA) where: Base-Base interactions energy: -192.043 where: short stacking energy: -126.577 Base-Backbone interact. energy: -0.813 local terms energy: -224.418961 where: bonds (distance) C4'-P energy: -51.501 bonds (distance) P-C4' energy: -67.216 flat angles C4'-P-C4' energy: -68.139 flat angles P-C4'-P energy: -29.529 tors. eta vs tors. theta energy: -8.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -364.191625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.191625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.191625 (E_RNA) where: Base-Base interactions energy: -155.262 where: short stacking energy: -118.872 Base-Backbone interact. energy: -1.690 local terms energy: -207.239704 where: bonds (distance) C4'-P energy: -59.963 bonds (distance) P-C4' energy: -63.790 flat angles C4'-P-C4' energy: -60.708 flat angles P-C4'-P energy: -23.790 tors. eta vs tors. theta energy: 1.011 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: 10 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1377.744546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.744546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.744546 (E_RNA) where: Base-Base interactions energy: -930.456 where: short stacking energy: -424.779 Base-Backbone interact. energy: 0.205 local terms energy: -447.493516 where: bonds (distance) C4'-P energy: -75.561 bonds (distance) P-C4' energy: -78.636 flat angles C4'-P-C4' energy: -98.704 flat angles P-C4'-P energy: -68.434 tors. eta vs tors. theta energy: -126.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1273.144257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.144257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.144257 (E_RNA) where: Base-Base interactions energy: -867.387 where: short stacking energy: -395.825 Base-Backbone interact. energy: -1.368 local terms energy: -404.389089 where: bonds (distance) C4'-P energy: -74.103 bonds (distance) P-C4' energy: -70.203 flat angles C4'-P-C4' energy: -89.234 flat angles P-C4'-P energy: -55.216 tors. eta vs tors. theta energy: -115.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1182.700600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.700600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.700600 (E_RNA) where: Base-Base interactions energy: -764.651 where: short stacking energy: -363.755 Base-Backbone interact. energy: -2.422 local terms energy: -415.627538 where: bonds (distance) C4'-P energy: -78.235 bonds (distance) P-C4' energy: -83.959 flat angles C4'-P-C4' energy: -93.722 flat angles P-C4'-P energy: -48.464 tors. eta vs tors. theta energy: -111.247 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: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1055.502831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.502831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.502831 (E_RNA) where: Base-Base interactions energy: -682.745 where: short stacking energy: -314.912 Base-Backbone interact. energy: -2.639 local terms energy: -370.118917 where: bonds (distance) C4'-P energy: -75.922 bonds (distance) P-C4' energy: -66.796 flat angles C4'-P-C4' energy: -85.925 flat angles P-C4'-P energy: -54.264 tors. eta vs tors. theta energy: -87.211 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: 5, replica: 4 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -886.225726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.225726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.225726 (E_RNA) where: Base-Base interactions energy: -557.568 where: short stacking energy: -274.959 Base-Backbone interact. energy: -0.838 local terms energy: -327.819331 where: bonds (distance) C4'-P energy: -77.646 bonds (distance) P-C4' energy: -68.312 flat angles C4'-P-C4' energy: -69.387 flat angles P-C4'-P energy: -43.689 tors. eta vs tors. theta energy: -68.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -832.774323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.774323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.774323 (E_RNA) where: Base-Base interactions energy: -503.839 where: short stacking energy: -276.489 Base-Backbone interact. energy: -0.326 local terms energy: -328.608958 where: bonds (distance) C4'-P energy: -69.560 bonds (distance) P-C4' energy: -70.936 flat angles C4'-P-C4' energy: -71.093 flat angles P-C4'-P energy: -49.388 tors. eta vs tors. theta energy: -67.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -652.742671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.742671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.742671 (E_RNA) where: Base-Base interactions energy: -376.633 where: short stacking energy: -175.721 Base-Backbone interact. energy: -0.785 local terms energy: -275.324743 where: bonds (distance) C4'-P energy: -72.347 bonds (distance) P-C4' energy: -79.631 flat angles C4'-P-C4' energy: -54.889 flat angles P-C4'-P energy: -43.674 tors. eta vs tors. theta energy: -24.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -587.319477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.319477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.319477 (E_RNA) where: Base-Base interactions energy: -318.109 where: short stacking energy: -194.783 Base-Backbone interact. energy: -1.201 local terms energy: -268.009924 where: bonds (distance) C4'-P energy: -72.500 bonds (distance) P-C4' energy: -61.313 flat angles C4'-P-C4' energy: -67.973 flat angles P-C4'-P energy: -38.654 tors. eta vs tors. theta energy: -27.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -491.698806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.698806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.698806 (E_RNA) where: Base-Base interactions energy: -238.769 where: short stacking energy: -147.975 Base-Backbone interact. energy: -1.335 local terms energy: -251.595652 where: bonds (distance) C4'-P energy: -67.727 bonds (distance) P-C4' energy: -67.455 flat angles C4'-P-C4' energy: -75.372 flat angles P-C4'-P energy: -34.743 tors. eta vs tors. theta energy: -6.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -366.588431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.588431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.588431 (E_RNA) where: Base-Base interactions energy: -152.792 where: short stacking energy: -106.362 Base-Backbone interact. energy: 2.007 local terms energy: -215.804151 where: bonds (distance) C4'-P energy: -56.205 bonds (distance) P-C4' energy: -78.964 flat angles C4'-P-C4' energy: -50.750 flat angles P-C4'-P energy: -36.758 tors. eta vs tors. theta energy: 6.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1365.713129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.713129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.713129 (E_RNA) where: Base-Base interactions energy: -910.334 where: short stacking energy: -434.731 Base-Backbone interact. energy: -0.584 local terms energy: -454.795325 where: bonds (distance) C4'-P energy: -83.581 bonds (distance) P-C4' energy: -84.608 flat angles C4'-P-C4' energy: -93.039 flat angles P-C4'-P energy: -59.942 tors. eta vs tors. theta energy: -133.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1280.512045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.512045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.512045 (E_RNA) where: Base-Base interactions energy: -862.115 where: short stacking energy: -387.562 Base-Backbone interact. energy: -2.972 local terms energy: -415.424776 where: bonds (distance) C4'-P energy: -75.348 bonds (distance) P-C4' energy: -70.149 flat angles C4'-P-C4' energy: -84.049 flat angles P-C4'-P energy: -66.808 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: 3, replica: 9 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1169.750883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.750883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.750883 (E_RNA) where: Base-Base interactions energy: -766.488 where: short stacking energy: -367.862 Base-Backbone interact. energy: -1.803 local terms energy: -401.459295 where: bonds (distance) C4'-P energy: -75.234 bonds (distance) P-C4' energy: -66.211 flat angles C4'-P-C4' energy: -84.683 flat angles P-C4'-P energy: -59.380 tors. eta vs tors. theta energy: -115.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1010.156860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.156860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.156860 (E_RNA) where: Base-Base interactions energy: -638.557 where: short stacking energy: -322.080 Base-Backbone interact. energy: -3.130 local terms energy: -368.469851 where: bonds (distance) C4'-P energy: -68.409 bonds (distance) P-C4' energy: -74.608 flat angles C4'-P-C4' energy: -84.708 flat angles P-C4'-P energy: -47.594 tors. eta vs tors. theta energy: -93.151 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: 4 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -892.771778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.771778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.771778 (E_RNA) where: Base-Base interactions energy: -559.892 where: short stacking energy: -296.131 Base-Backbone interact. energy: 0.915 local terms energy: -333.795466 where: bonds (distance) C4'-P energy: -74.255 bonds (distance) P-C4' energy: -76.391 flat angles C4'-P-C4' energy: -60.750 flat angles P-C4'-P energy: -56.677 tors. eta vs tors. theta energy: -65.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -812.681538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.681538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.681538 (E_RNA) where: Base-Base interactions energy: -491.984 where: short stacking energy: -246.529 Base-Backbone interact. energy: 0.159 local terms energy: -320.857076 where: bonds (distance) C4'-P energy: -66.510 bonds (distance) P-C4' energy: -74.150 flat angles C4'-P-C4' energy: -74.842 flat angles P-C4'-P energy: -47.978 tors. eta vs tors. theta energy: -57.377 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: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -645.202759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.202759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.202759 (E_RNA) where: Base-Base interactions energy: -359.332 where: short stacking energy: -194.581 Base-Backbone interact. energy: -1.420 local terms energy: -284.450092 where: bonds (distance) C4'-P energy: -67.176 bonds (distance) P-C4' energy: -73.937 flat angles C4'-P-C4' energy: -68.798 flat angles P-C4'-P energy: -33.300 tors. eta vs tors. theta energy: -41.238 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: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -535.010993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.010993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.010993 (E_RNA) where: Base-Base interactions energy: -279.340 where: short stacking energy: -159.642 Base-Backbone interact. energy: -2.606 local terms energy: -253.064810 where: bonds (distance) C4'-P energy: -69.311 bonds (distance) P-C4' energy: -66.181 flat angles C4'-P-C4' energy: -70.182 flat angles P-C4'-P energy: -40.505 tors. eta vs tors. theta energy: -6.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -469.745233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.745233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.745233 (E_RNA) where: Base-Base interactions energy: -244.828 where: short stacking energy: -131.231 Base-Backbone interact. energy: -0.970 local terms energy: -223.947740 where: bonds (distance) C4'-P energy: -68.767 bonds (distance) P-C4' energy: -63.687 flat angles C4'-P-C4' energy: -63.548 flat angles P-C4'-P energy: -24.259 tors. eta vs tors. theta energy: -3.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -328.383034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.383034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.383034 (E_RNA) where: Base-Base interactions energy: -123.698 where: short stacking energy: -101.725 Base-Backbone interact. energy: -0.347 local terms energy: -204.338121 where: bonds (distance) C4'-P energy: -57.669 bonds (distance) P-C4' energy: -62.661 flat angles C4'-P-C4' energy: -57.363 flat angles P-C4'-P energy: -27.696 tors. eta vs tors. theta energy: 1.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1320.288760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.288760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.288760 (E_RNA) where: Base-Base interactions energy: -892.717 where: short stacking energy: -399.478 Base-Backbone interact. energy: -1.746 local terms energy: -425.825785 where: bonds (distance) C4'-P energy: -87.090 bonds (distance) P-C4' energy: -79.475 flat angles C4'-P-C4' energy: -84.191 flat angles P-C4'-P energy: -60.895 tors. eta vs tors. theta energy: -114.174 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: 108 Temperature: 0.950000 Total energy: -1322.240770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.240770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.240770 (E_RNA) where: Base-Base interactions energy: -888.376 where: short stacking energy: -414.724 Base-Backbone interact. energy: -1.025 local terms energy: -432.840245 where: bonds (distance) C4'-P energy: -80.410 bonds (distance) P-C4' energy: -73.072 flat angles C4'-P-C4' energy: -89.287 flat angles P-C4'-P energy: -64.589 tors. eta vs tors. theta energy: -125.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1191.614957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.614957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.614957 (E_RNA) where: Base-Base interactions energy: -792.343 where: short stacking energy: -364.513 Base-Backbone interact. energy: -0.548 local terms energy: -398.724232 where: bonds (distance) C4'-P energy: -77.957 bonds (distance) P-C4' energy: -72.898 flat angles C4'-P-C4' energy: -91.045 flat angles P-C4'-P energy: -43.883 tors. eta vs tors. theta energy: -112.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1058.466016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.466016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.466016 (E_RNA) where: Base-Base interactions energy: -678.392 where: short stacking energy: -319.884 Base-Backbone interact. energy: -1.008 local terms energy: -379.065721 where: bonds (distance) C4'-P energy: -69.647 bonds (distance) P-C4' energy: -79.566 flat angles C4'-P-C4' energy: -73.979 flat angles P-C4'-P energy: -59.785 tors. eta vs tors. theta energy: -96.089 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: 1 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -792.921592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.921592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.921592 (E_RNA) where: Base-Base interactions energy: -476.606 where: short stacking energy: -256.399 Base-Backbone interact. energy: -0.056 local terms energy: -316.259535 where: bonds (distance) C4'-P energy: -63.560 bonds (distance) P-C4' energy: -69.464 flat angles C4'-P-C4' energy: -79.784 flat angles P-C4'-P energy: -47.401 tors. eta vs tors. theta energy: -56.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -845.413777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.413777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.413777 (E_RNA) where: Base-Base interactions energy: -483.077 where: short stacking energy: -241.778 Base-Backbone interact. energy: -0.904 local terms energy: -361.432732 where: bonds (distance) C4'-P energy: -69.114 bonds (distance) P-C4' energy: -90.884 flat angles C4'-P-C4' energy: -81.198 flat angles P-C4'-P energy: -55.838 tors. eta vs tors. theta energy: -64.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -633.922263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.922263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.922263 (E_RNA) where: Base-Base interactions energy: -369.207 where: short stacking energy: -202.121 Base-Backbone interact. energy: -2.201 local terms energy: -262.513676 where: bonds (distance) C4'-P energy: -53.713 bonds (distance) P-C4' energy: -66.908 flat angles C4'-P-C4' energy: -64.171 flat angles P-C4'-P energy: -49.802 tors. eta vs tors. theta energy: -27.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -542.696435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.696435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.696435 (E_RNA) where: Base-Base interactions energy: -304.536 where: short stacking energy: -166.982 Base-Backbone interact. energy: 0.843 local terms energy: -239.003891 where: bonds (distance) C4'-P energy: -72.360 bonds (distance) P-C4' energy: -62.773 flat angles C4'-P-C4' energy: -60.305 flat angles P-C4'-P energy: -28.251 tors. eta vs tors. theta energy: -15.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -497.376685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.376685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.376685 (E_RNA) where: Base-Base interactions energy: -272.408 where: short stacking energy: -139.836 Base-Backbone interact. energy: 0.958 local terms energy: -225.926942 where: bonds (distance) C4'-P energy: -48.946 bonds (distance) P-C4' energy: -80.044 flat angles C4'-P-C4' energy: -53.921 flat angles P-C4'-P energy: -37.566 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -305.027821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.027821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.027821 (E_RNA) where: Base-Base interactions energy: -97.546 where: short stacking energy: -94.304 Base-Backbone interact. energy: -2.672 local terms energy: -204.809242 where: bonds (distance) C4'-P energy: -68.700 bonds (distance) P-C4' energy: -73.418 flat angles C4'-P-C4' energy: -60.355 flat angles P-C4'-P energy: -15.874 tors. eta vs tors. theta energy: 13.538 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: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1324.400434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.400434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.400434 (E_RNA) where: Base-Base interactions energy: -883.365 where: short stacking energy: -407.685 Base-Backbone interact. energy: -1.301 local terms energy: -439.734186 where: bonds (distance) C4'-P energy: -75.263 bonds (distance) P-C4' energy: -76.513 flat angles C4'-P-C4' energy: -97.760 flat angles P-C4'-P energy: -66.556 tors. eta vs tors. theta energy: -123.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1316.001731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.001731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.001731 (E_RNA) where: Base-Base interactions energy: -888.638 where: short stacking energy: -393.682 Base-Backbone interact. energy: 0.375 local terms energy: -427.738973 where: bonds (distance) C4'-P energy: -70.743 bonds (distance) P-C4' energy: -79.143 flat angles C4'-P-C4' energy: -94.988 flat angles P-C4'-P energy: -59.388 tors. eta vs tors. theta energy: -123.477 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: 3, replica: 9 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1156.108500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.108500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.108500 (E_RNA) where: Base-Base interactions energy: -780.303 where: short stacking energy: -352.019 Base-Backbone interact. energy: -2.496 local terms energy: -373.309817 where: bonds (distance) C4'-P energy: -68.389 bonds (distance) P-C4' energy: -82.684 flat angles C4'-P-C4' energy: -79.416 flat angles P-C4'-P energy: -52.010 tors. eta vs tors. theta energy: -90.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1059.931146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.931146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.931146 (E_RNA) where: Base-Base interactions energy: -684.603 where: short stacking energy: -335.751 Base-Backbone interact. energy: -3.972 local terms energy: -371.356311 where: bonds (distance) C4'-P energy: -70.276 bonds (distance) P-C4' energy: -77.821 flat angles C4'-P-C4' energy: -90.499 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: -87.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -826.942803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.942803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.942803 (E_RNA) where: Base-Base interactions energy: -484.346 where: short stacking energy: -271.452 Base-Backbone interact. energy: 0.264 local terms energy: -342.860460 where: bonds (distance) C4'-P energy: -64.197 bonds (distance) P-C4' energy: -77.876 flat angles C4'-P-C4' energy: -82.161 flat angles P-C4'-P energy: -50.589 tors. eta vs tors. theta energy: -68.037 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: 4 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -846.466961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.466961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.466961 (E_RNA) where: Base-Base interactions energy: -515.673 where: short stacking energy: -244.114 Base-Backbone interact. energy: -1.477 local terms energy: -329.316951 where: bonds (distance) C4'-P energy: -73.916 bonds (distance) P-C4' energy: -68.521 flat angles C4'-P-C4' energy: -74.800 flat angles P-C4'-P energy: -52.049 tors. eta vs tors. theta energy: -60.031 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: 7, replica: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -636.340506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.340506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.340506 (E_RNA) where: Base-Base interactions energy: -349.457 where: short stacking energy: -184.826 Base-Backbone interact. energy: -0.574 local terms energy: -286.309345 where: bonds (distance) C4'-P energy: -62.691 bonds (distance) P-C4' energy: -82.721 flat angles C4'-P-C4' energy: -67.551 flat angles P-C4'-P energy: -45.685 tors. eta vs tors. theta energy: -27.661 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: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -533.862740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.862740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.862740 (E_RNA) where: Base-Base interactions energy: -289.193 where: short stacking energy: -187.251 Base-Backbone interact. energy: -0.401 local terms energy: -244.268436 where: bonds (distance) C4'-P energy: -62.030 bonds (distance) P-C4' energy: -68.178 flat angles C4'-P-C4' energy: -50.856 flat angles P-C4'-P energy: -31.927 tors. eta vs tors. theta energy: -31.277 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: 3 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -518.345350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.345350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.345350 (E_RNA) where: Base-Base interactions energy: -281.435 where: short stacking energy: -151.396 Base-Backbone interact. energy: 1.711 local terms energy: -238.621309 where: bonds (distance) C4'-P energy: -67.557 bonds (distance) P-C4' energy: -72.006 flat angles C4'-P-C4' energy: -58.684 flat angles P-C4'-P energy: -29.141 tors. eta vs tors. theta energy: -11.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -340.040706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.040706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.040706 (E_RNA) where: Base-Base interactions energy: -120.313 where: short stacking energy: -94.236 Base-Backbone interact. energy: 0.667 local terms energy: -220.394637 where: bonds (distance) C4'-P energy: -70.358 bonds (distance) P-C4' energy: -68.874 flat angles C4'-P-C4' energy: -52.462 flat angles P-C4'-P energy: -32.231 tors. eta vs tors. theta energy: 3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1378.916247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.916247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.916247 (E_RNA) where: Base-Base interactions energy: -927.574 where: short stacking energy: -445.171 Base-Backbone interact. energy: -0.200 local terms energy: -451.142294 where: bonds (distance) C4'-P energy: -79.930 bonds (distance) P-C4' energy: -84.911 flat angles C4'-P-C4' energy: -93.342 flat angles P-C4'-P energy: -63.751 tors. eta vs tors. theta energy: -129.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1284.049704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.049704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.049704 (E_RNA) where: Base-Base interactions energy: -878.048 where: short stacking energy: -386.203 Base-Backbone interact. energy: -1.856 local terms energy: -404.146315 where: bonds (distance) C4'-P energy: -66.659 bonds (distance) P-C4' energy: -72.105 flat angles C4'-P-C4' energy: -89.579 flat angles P-C4'-P energy: -55.800 tors. eta vs tors. theta energy: -120.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1181.252486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.252486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.252486 (E_RNA) where: Base-Base interactions energy: -790.286 where: short stacking energy: -368.213 Base-Backbone interact. energy: 1.409 local terms energy: -392.375435 where: bonds (distance) C4'-P energy: -85.719 bonds (distance) P-C4' energy: -66.819 flat angles C4'-P-C4' energy: -85.961 flat angles P-C4'-P energy: -54.490 tors. eta vs tors. theta energy: -99.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1089.402333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.402333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.402333 (E_RNA) where: Base-Base interactions energy: -690.550 where: short stacking energy: -343.115 Base-Backbone interact. energy: -2.657 local terms energy: -396.195411 where: bonds (distance) C4'-P energy: -76.439 bonds (distance) P-C4' energy: -71.116 flat angles C4'-P-C4' energy: -89.653 flat angles P-C4'-P energy: -64.752 tors. eta vs tors. theta energy: -94.236 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: 5, replica: 1 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -817.914398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.914398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.914398 (E_RNA) where: Base-Base interactions energy: -491.804 where: short stacking energy: -278.627 Base-Backbone interact. energy: -1.429 local terms energy: -324.681635 where: bonds (distance) C4'-P energy: -68.564 bonds (distance) P-C4' energy: -74.712 flat angles C4'-P-C4' energy: -71.028 flat angles P-C4'-P energy: -48.871 tors. eta vs tors. theta energy: -61.506 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: 4 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -863.456899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.456899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.456899 (E_RNA) where: Base-Base interactions energy: -539.311 where: short stacking energy: -262.950 Base-Backbone interact. energy: -0.375 local terms energy: -323.771592 where: bonds (distance) C4'-P energy: -72.470 bonds (distance) P-C4' energy: -68.095 flat angles C4'-P-C4' energy: -74.463 flat angles P-C4'-P energy: -38.310 tors. eta vs tors. theta energy: -70.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -635.884454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.884454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.884454 (E_RNA) where: Base-Base interactions energy: -350.329 where: short stacking energy: -194.512 Base-Backbone interact. energy: -1.009 local terms energy: -284.546169 where: bonds (distance) C4'-P energy: -70.535 bonds (distance) P-C4' energy: -69.956 flat angles C4'-P-C4' energy: -79.975 flat angles P-C4'-P energy: -42.379 tors. eta vs tors. theta energy: -21.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -534.059462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.059462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.059462 (E_RNA) where: Base-Base interactions energy: -265.209 where: short stacking energy: -166.605 Base-Backbone interact. energy: 0.362 local terms energy: -269.212398 where: bonds (distance) C4'-P energy: -69.031 bonds (distance) P-C4' energy: -66.538 flat angles C4'-P-C4' energy: -66.694 flat angles P-C4'-P energy: -43.531 tors. eta vs tors. theta energy: -23.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -514.546347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.546347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.546347 (E_RNA) where: Base-Base interactions energy: -273.335 where: short stacking energy: -155.817 Base-Backbone interact. energy: -1.961 local terms energy: -239.250860 where: bonds (distance) C4'-P energy: -64.654 bonds (distance) P-C4' energy: -81.810 flat angles C4'-P-C4' energy: -52.227 flat angles P-C4'-P energy: -32.486 tors. eta vs tors. theta energy: -8.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -334.941765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.941765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.941765 (E_RNA) where: Base-Base interactions energy: -141.670 where: short stacking energy: -104.246 Base-Backbone interact. energy: 4.449 local terms energy: -197.720013 where: bonds (distance) C4'-P energy: -53.468 bonds (distance) P-C4' energy: -57.326 flat angles C4'-P-C4' energy: -62.031 flat angles P-C4'-P energy: -35.090 tors. eta vs tors. theta energy: 10.194 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: 10 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1358.498617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.498617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.498617 (E_RNA) where: Base-Base interactions energy: -917.984 where: short stacking energy: -423.039 Base-Backbone interact. energy: -0.843 local terms energy: -439.671846 where: bonds (distance) C4'-P energy: -81.657 bonds (distance) P-C4' energy: -76.784 flat angles C4'-P-C4' energy: -88.570 flat angles P-C4'-P energy: -59.492 tors. eta vs tors. theta energy: -133.169 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: 7 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1272.344821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.344821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.344821 (E_RNA) where: Base-Base interactions energy: -871.232 where: short stacking energy: -386.410 Base-Backbone interact. energy: 0.602 local terms energy: -401.714136 where: bonds (distance) C4'-P energy: -79.302 bonds (distance) P-C4' energy: -82.435 flat angles C4'-P-C4' energy: -86.432 flat angles P-C4'-P energy: -47.496 tors. eta vs tors. theta energy: -106.049 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: 9 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1174.462828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.462828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.462828 (E_RNA) where: Base-Base interactions energy: -773.886 where: short stacking energy: -382.168 Base-Backbone interact. energy: -1.681 local terms energy: -398.895904 where: bonds (distance) C4'-P energy: -75.704 bonds (distance) P-C4' energy: -83.188 flat angles C4'-P-C4' energy: -83.455 flat angles P-C4'-P energy: -53.310 tors. eta vs tors. theta energy: -103.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1038.164507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.164507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.164507 (E_RNA) where: Base-Base interactions energy: -676.757 where: short stacking energy: -324.426 Base-Backbone interact. energy: -2.625 local terms energy: -358.782633 where: bonds (distance) C4'-P energy: -72.684 bonds (distance) P-C4' energy: -62.334 flat angles C4'-P-C4' energy: -82.419 flat angles P-C4'-P energy: -57.100 tors. eta vs tors. theta energy: -84.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -816.784389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.784389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.784389 (E_RNA) where: Base-Base interactions energy: -480.037 where: short stacking energy: -266.906 Base-Backbone interact. energy: -2.841 local terms energy: -333.906132 where: bonds (distance) C4'-P energy: -72.655 bonds (distance) P-C4' energy: -81.789 flat angles C4'-P-C4' energy: -72.437 flat angles P-C4'-P energy: -49.858 tors. eta vs tors. theta energy: -57.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -874.186655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.186655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.186655 (E_RNA) where: Base-Base interactions energy: -533.030 where: short stacking energy: -263.732 Base-Backbone interact. energy: -1.235 local terms energy: -339.921183 where: bonds (distance) C4'-P energy: -71.733 bonds (distance) P-C4' energy: -74.188 flat angles C4'-P-C4' energy: -67.530 flat angles P-C4'-P energy: -54.908 tors. eta vs tors. theta energy: -71.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -667.737947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.737947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.737947 (E_RNA) where: Base-Base interactions energy: -366.914 where: short stacking energy: -200.875 Base-Backbone interact. energy: -0.391 local terms energy: -300.433762 where: bonds (distance) C4'-P energy: -78.307 bonds (distance) P-C4' energy: -71.093 flat angles C4'-P-C4' energy: -64.232 flat angles P-C4'-P energy: -47.603 tors. eta vs tors. theta energy: -39.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -558.497164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.497164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.497164 (E_RNA) where: Base-Base interactions energy: -314.266 where: short stacking energy: -203.255 Base-Backbone interact. energy: 7.961 local terms energy: -252.192566 where: bonds (distance) C4'-P energy: -69.091 bonds (distance) P-C4' energy: -60.309 flat angles C4'-P-C4' energy: -49.265 flat angles P-C4'-P energy: -36.191 tors. eta vs tors. theta energy: -37.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -515.995816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.995816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.995816 (E_RNA) where: Base-Base interactions energy: -275.212 where: short stacking energy: -161.522 Base-Backbone interact. energy: 0.360 local terms energy: -241.144045 where: bonds (distance) C4'-P energy: -58.640 bonds (distance) P-C4' energy: -56.609 flat angles C4'-P-C4' energy: -68.189 flat angles P-C4'-P energy: -34.215 tors. eta vs tors. theta energy: -23.491 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: 10, replica: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -310.168815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.168815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.168815 (E_RNA) where: Base-Base interactions energy: -88.912 where: short stacking energy: -84.807 Base-Backbone interact. energy: 2.118 local terms energy: -223.375435 where: bonds (distance) C4'-P energy: -61.142 bonds (distance) P-C4' energy: -81.357 flat angles C4'-P-C4' energy: -57.616 flat angles P-C4'-P energy: -28.967 tors. eta vs tors. theta energy: 5.706 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: 10 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1351.492580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.492580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.492580 (E_RNA) where: Base-Base interactions energy: -889.179 where: short stacking energy: -396.400 Base-Backbone interact. energy: -2.590 local terms energy: -459.723901 where: bonds (distance) C4'-P energy: -77.722 bonds (distance) P-C4' energy: -83.000 flat angles C4'-P-C4' energy: -96.993 flat angles P-C4'-P energy: -70.889 tors. eta vs tors. theta energy: -131.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1273.998930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.998930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.998930 (E_RNA) where: Base-Base interactions energy: -862.524 where: short stacking energy: -395.124 Base-Backbone interact. energy: -0.330 local terms energy: -411.145143 where: bonds (distance) C4'-P energy: -69.466 bonds (distance) P-C4' energy: -79.499 flat angles C4'-P-C4' energy: -93.109 flat angles P-C4'-P energy: -50.811 tors. eta vs tors. theta energy: -118.259 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: 112 Temperature: 1.000000 Total energy: -1199.795197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.795197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.795197 (E_RNA) where: Base-Base interactions energy: -784.266 where: short stacking energy: -376.852 Base-Backbone interact. energy: -0.915 local terms energy: -414.614362 where: bonds (distance) C4'-P energy: -80.690 bonds (distance) P-C4' energy: -81.858 flat angles C4'-P-C4' energy: -85.173 flat angles P-C4'-P energy: -54.319 tors. eta vs tors. theta energy: -112.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1059.527907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.527907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.527907 (E_RNA) where: Base-Base interactions energy: -679.183 where: short stacking energy: -352.339 Base-Backbone interact. energy: -0.543 local terms energy: -379.801969 where: bonds (distance) C4'-P energy: -66.541 bonds (distance) P-C4' energy: -71.153 flat angles C4'-P-C4' energy: -86.947 flat angles P-C4'-P energy: -57.780 tors. eta vs tors. theta energy: -97.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -917.061441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.061441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.061441 (E_RNA) where: Base-Base interactions energy: -575.966 where: short stacking energy: -266.996 Base-Backbone interact. energy: -3.179 local terms energy: -337.916552 where: bonds (distance) C4'-P energy: -72.886 bonds (distance) P-C4' energy: -73.612 flat angles C4'-P-C4' energy: -75.010 flat angles P-C4'-P energy: -43.561 tors. eta vs tors. theta energy: -72.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -780.058361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.058361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.058361 (E_RNA) where: Base-Base interactions energy: -453.072 where: short stacking energy: -242.791 Base-Backbone interact. energy: 1.865 local terms energy: -328.851487 where: bonds (distance) C4'-P energy: -75.517 bonds (distance) P-C4' energy: -80.821 flat angles C4'-P-C4' energy: -73.235 flat angles P-C4'-P energy: -47.333 tors. eta vs tors. theta energy: -51.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -640.564065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.564065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.564065 (E_RNA) where: Base-Base interactions energy: -361.113 where: short stacking energy: -204.664 Base-Backbone interact. energy: -1.247 local terms energy: -278.204307 where: bonds (distance) C4'-P energy: -58.500 bonds (distance) P-C4' energy: -68.449 flat angles C4'-P-C4' energy: -63.303 flat angles P-C4'-P energy: -48.874 tors. eta vs tors. theta energy: -39.078 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: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -591.865108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.865108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.865108 (E_RNA) where: Base-Base interactions energy: -302.824 where: short stacking energy: -188.923 Base-Backbone interact. energy: -0.849 local terms energy: -288.191961 where: bonds (distance) C4'-P energy: -57.547 bonds (distance) P-C4' energy: -83.805 flat angles C4'-P-C4' energy: -64.565 flat angles P-C4'-P energy: -42.575 tors. eta vs tors. theta energy: -39.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -457.862606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.862606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.862606 (E_RNA) where: Base-Base interactions energy: -231.140 where: short stacking energy: -134.291 Base-Backbone interact. energy: -0.799 local terms energy: -225.923289 where: bonds (distance) C4'-P energy: -61.328 bonds (distance) P-C4' energy: -70.765 flat angles C4'-P-C4' energy: -56.315 flat angles P-C4'-P energy: -31.672 tors. eta vs tors. theta energy: -5.844 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: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -367.294494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.294494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.294494 (E_RNA) where: Base-Base interactions energy: -144.400 where: short stacking energy: -123.482 Base-Backbone interact. energy: -2.438 local terms energy: -220.456355 where: bonds (distance) C4'-P energy: -64.880 bonds (distance) P-C4' energy: -49.661 flat angles C4'-P-C4' energy: -66.627 flat angles P-C4'-P energy: -34.907 tors. eta vs tors. theta energy: -4.382 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: 10 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1360.491076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.491076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.491076 (E_RNA) where: Base-Base interactions energy: -915.918 where: short stacking energy: -420.466 Base-Backbone interact. energy: 0.645 local terms energy: -445.218771 where: bonds (distance) C4'-P energy: -72.364 bonds (distance) P-C4' energy: -87.225 flat angles C4'-P-C4' energy: -87.957 flat angles P-C4'-P energy: -69.735 tors. eta vs tors. theta energy: -127.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1280.508994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.508994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.508994 (E_RNA) where: Base-Base interactions energy: -879.611 where: short stacking energy: -376.428 Base-Backbone interact. energy: -1.024 local terms energy: -399.873508 where: bonds (distance) C4'-P energy: -69.743 bonds (distance) P-C4' energy: -71.310 flat angles C4'-P-C4' energy: -90.717 flat angles P-C4'-P energy: -55.174 tors. eta vs tors. theta energy: -112.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1194.257742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.257742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.257742 (E_RNA) where: Base-Base interactions energy: -801.189 where: short stacking energy: -381.913 Base-Backbone interact. energy: 2.390 local terms energy: -395.459518 where: bonds (distance) C4'-P energy: -76.639 bonds (distance) P-C4' energy: -67.838 flat angles C4'-P-C4' energy: -77.573 flat angles P-C4'-P energy: -59.834 tors. eta vs tors. theta energy: -113.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1079.165071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.165071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.165071 (E_RNA) where: Base-Base interactions energy: -716.089 where: short stacking energy: -343.717 Base-Backbone interact. energy: -0.943 local terms energy: -362.133759 where: bonds (distance) C4'-P energy: -72.458 bonds (distance) P-C4' energy: -70.448 flat angles C4'-P-C4' energy: -78.207 flat angles P-C4'-P energy: -44.140 tors. eta vs tors. theta energy: -96.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -974.793662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.793662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.793662 (E_RNA) where: Base-Base interactions energy: -619.590 where: short stacking energy: -310.397 Base-Backbone interact. energy: -0.809 local terms energy: -354.395068 where: bonds (distance) C4'-P energy: -57.433 bonds (distance) P-C4' energy: -85.271 flat angles C4'-P-C4' energy: -87.822 flat angles P-C4'-P energy: -47.696 tors. eta vs tors. theta energy: -76.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -772.301382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.301382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.301382 (E_RNA) where: Base-Base interactions energy: -451.037 where: short stacking energy: -234.405 Base-Backbone interact. energy: 1.528 local terms energy: -322.792472 where: bonds (distance) C4'-P energy: -68.096 bonds (distance) P-C4' energy: -73.300 flat angles C4'-P-C4' energy: -73.601 flat angles P-C4'-P energy: -46.743 tors. eta vs tors. theta energy: -61.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -627.886936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.886936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.886936 (E_RNA) where: Base-Base interactions energy: -365.181 where: short stacking energy: -207.816 Base-Backbone interact. energy: -0.175 local terms energy: -262.531456 where: bonds (distance) C4'-P energy: -64.933 bonds (distance) P-C4' energy: -60.592 flat angles C4'-P-C4' energy: -68.787 flat angles P-C4'-P energy: -42.403 tors. eta vs tors. theta energy: -25.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -601.389255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.389255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.389255 (E_RNA) where: Base-Base interactions energy: -330.819 where: short stacking energy: -188.360 Base-Backbone interact. energy: 0.650 local terms energy: -271.219905 where: bonds (distance) C4'-P energy: -68.271 bonds (distance) P-C4' energy: -67.604 flat angles C4'-P-C4' energy: -69.876 flat angles P-C4'-P energy: -33.646 tors. eta vs tors. theta energy: -31.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -473.131910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.131910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.131910 (E_RNA) where: Base-Base interactions energy: -262.990 where: short stacking energy: -136.073 Base-Backbone interact. energy: -1.292 local terms energy: -208.850823 where: bonds (distance) C4'-P energy: -60.464 bonds (distance) P-C4' energy: -57.130 flat angles C4'-P-C4' energy: -64.021 flat angles P-C4'-P energy: -27.579 tors. eta vs tors. theta energy: 0.343 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: 113 Temperature: 1.350000 Total energy: -317.021687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.021687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.021687 (E_RNA) where: Base-Base interactions energy: -120.243 where: short stacking energy: -95.473 Base-Backbone interact. energy: 1.077 local terms energy: -197.855965 where: bonds (distance) C4'-P energy: -48.245 bonds (distance) P-C4' energy: -65.166 flat angles C4'-P-C4' energy: -58.797 flat angles P-C4'-P energy: -40.332 tors. eta vs tors. theta energy: 14.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1380.502477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.502477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.502477 (E_RNA) where: Base-Base interactions energy: -929.821 where: short stacking energy: -423.553 Base-Backbone interact. energy: -1.038 local terms energy: -449.643689 where: bonds (distance) C4'-P energy: -79.502 bonds (distance) P-C4' energy: -80.173 flat angles C4'-P-C4' energy: -101.442 flat angles P-C4'-P energy: -58.167 tors. eta vs tors. theta energy: -130.361 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: 114 Temperature: 0.950000 Total energy: -1282.589085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.589085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.589085 (E_RNA) where: Base-Base interactions energy: -874.162 where: short stacking energy: -388.612 Base-Backbone interact. energy: -1.786 local terms energy: -406.641305 where: bonds (distance) C4'-P energy: -75.709 bonds (distance) P-C4' energy: -77.532 flat angles C4'-P-C4' energy: -91.171 flat angles P-C4'-P energy: -56.086 tors. eta vs tors. theta energy: -106.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1180.581937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.581937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.581937 (E_RNA) where: Base-Base interactions energy: -782.571 where: short stacking energy: -370.875 Base-Backbone interact. energy: 0.388 local terms energy: -398.398876 where: bonds (distance) C4'-P energy: -79.921 bonds (distance) P-C4' energy: -70.809 flat angles C4'-P-C4' energy: -79.934 flat angles P-C4'-P energy: -62.200 tors. eta vs tors. theta energy: -105.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1064.705625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.705625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.705625 (E_RNA) where: Base-Base interactions energy: -679.057 where: short stacking energy: -332.162 Base-Backbone interact. energy: -3.409 local terms energy: -382.240001 where: bonds (distance) C4'-P energy: -72.162 bonds (distance) P-C4' energy: -83.122 flat angles C4'-P-C4' energy: -83.140 flat angles P-C4'-P energy: -51.227 tors. eta vs tors. theta energy: -92.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -993.164319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.164319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.164319 (E_RNA) where: Base-Base interactions energy: -634.677 where: short stacking energy: -274.042 Base-Backbone interact. energy: 0.678 local terms energy: -359.165560 where: bonds (distance) C4'-P energy: -71.362 bonds (distance) P-C4' energy: -82.053 flat angles C4'-P-C4' energy: -81.991 flat angles P-C4'-P energy: -49.516 tors. eta vs tors. theta energy: -74.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -787.735227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.735227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.735227 (E_RNA) where: Base-Base interactions energy: -498.359 where: short stacking energy: -262.636 Base-Backbone interact. energy: 2.978 local terms energy: -292.354682 where: bonds (distance) C4'-P energy: -60.960 bonds (distance) P-C4' energy: -65.107 flat angles C4'-P-C4' energy: -65.006 flat angles P-C4'-P energy: -42.328 tors. eta vs tors. theta energy: -58.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -637.259075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.259075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.259075 (E_RNA) where: Base-Base interactions energy: -351.430 where: short stacking energy: -195.239 Base-Backbone interact. energy: -1.098 local terms energy: -284.730324 where: bonds (distance) C4'-P energy: -61.377 bonds (distance) P-C4' energy: -74.487 flat angles C4'-P-C4' energy: -79.074 flat angles P-C4'-P energy: -32.217 tors. eta vs tors. theta energy: -37.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -564.386870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.386870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.386870 (E_RNA) where: Base-Base interactions energy: -291.845 where: short stacking energy: -163.845 Base-Backbone interact. energy: 0.041 local terms energy: -272.582625 where: bonds (distance) C4'-P energy: -66.409 bonds (distance) P-C4' energy: -67.235 flat angles C4'-P-C4' energy: -78.355 flat angles P-C4'-P energy: -37.391 tors. eta vs tors. theta energy: -23.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -452.753049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.753049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.753049 (E_RNA) where: Base-Base interactions energy: -210.336 where: short stacking energy: -126.840 Base-Backbone interact. energy: -0.685 local terms energy: -241.731911 where: bonds (distance) C4'-P energy: -56.035 bonds (distance) P-C4' energy: -79.972 flat angles C4'-P-C4' energy: -64.856 flat angles P-C4'-P energy: -37.778 tors. eta vs tors. theta energy: -3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -332.275225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.275225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.275225 (E_RNA) where: Base-Base interactions energy: -126.418 where: short stacking energy: -106.022 Base-Backbone interact. energy: 1.217 local terms energy: -207.073749 where: bonds (distance) C4'-P energy: -62.647 bonds (distance) P-C4' energy: -63.835 flat angles C4'-P-C4' energy: -39.642 flat angles P-C4'-P energy: -43.982 tors. eta vs tors. theta energy: 3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1351.315901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.315901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.315901 (E_RNA) where: Base-Base interactions energy: -935.144 where: short stacking energy: -417.940 Base-Backbone interact. energy: -0.755 local terms energy: -415.416723 where: bonds (distance) C4'-P energy: -78.905 bonds (distance) P-C4' energy: -77.452 flat angles C4'-P-C4' energy: -80.449 flat angles P-C4'-P energy: -54.593 tors. eta vs tors. theta energy: -124.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1290.298918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.298918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.298918 (E_RNA) where: Base-Base interactions energy: -867.817 where: short stacking energy: -384.524 Base-Backbone interact. energy: -2.642 local terms energy: -419.839704 where: bonds (distance) C4'-P energy: -86.737 bonds (distance) P-C4' energy: -79.761 flat angles C4'-P-C4' energy: -94.423 flat angles P-C4'-P energy: -56.435 tors. eta vs tors. theta energy: -102.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1208.952070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.952070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.952070 (E_RNA) where: Base-Base interactions energy: -807.248 where: short stacking energy: -381.760 Base-Backbone interact. energy: -2.719 local terms energy: -398.985668 where: bonds (distance) C4'-P energy: -74.091 bonds (distance) P-C4' energy: -76.471 flat angles C4'-P-C4' energy: -84.160 flat angles P-C4'-P energy: -58.467 tors. eta vs tors. theta energy: -105.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1023.601086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.601086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.601086 (E_RNA) where: Base-Base interactions energy: -676.193 where: short stacking energy: -310.468 Base-Backbone interact. energy: -0.775 local terms energy: -346.632903 where: bonds (distance) C4'-P energy: -75.712 bonds (distance) P-C4' energy: -68.740 flat angles C4'-P-C4' energy: -58.712 flat angles P-C4'-P energy: -62.572 tors. eta vs tors. theta energy: -80.896 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: 4 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -949.384629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.384629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.384629 (E_RNA) where: Base-Base interactions energy: -626.309 where: short stacking energy: -306.971 Base-Backbone interact. energy: 0.838 local terms energy: -323.912834 where: bonds (distance) C4'-P energy: -65.556 bonds (distance) P-C4' energy: -69.935 flat angles C4'-P-C4' energy: -63.505 flat angles P-C4'-P energy: -54.926 tors. eta vs tors. theta energy: -69.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -798.566534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.566534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.566534 (E_RNA) where: Base-Base interactions energy: -482.035 where: short stacking energy: -254.641 Base-Backbone interact. energy: 0.544 local terms energy: -317.076201 where: bonds (distance) C4'-P energy: -57.938 bonds (distance) P-C4' energy: -81.163 flat angles C4'-P-C4' energy: -76.364 flat angles P-C4'-P energy: -46.022 tors. eta vs tors. theta energy: -55.589 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: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -670.678171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.678171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.678171 (E_RNA) where: Base-Base interactions energy: -370.367 where: short stacking energy: -183.906 Base-Backbone interact. energy: 0.030 local terms energy: -300.341330 where: bonds (distance) C4'-P energy: -77.932 bonds (distance) P-C4' energy: -78.171 flat angles C4'-P-C4' energy: -74.719 flat angles P-C4'-P energy: -41.650 tors. eta vs tors. theta energy: -27.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -561.121731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.121731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.121731 (E_RNA) where: Base-Base interactions energy: -306.170 where: short stacking energy: -151.279 Base-Backbone interact. energy: -2.112 local terms energy: -252.840385 where: bonds (distance) C4'-P energy: -64.256 bonds (distance) P-C4' energy: -70.549 flat angles C4'-P-C4' energy: -58.805 flat angles P-C4'-P energy: -32.462 tors. eta vs tors. theta energy: -26.769 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: 3 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -452.408180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.408180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.408180 (E_RNA) where: Base-Base interactions energy: -221.784 where: short stacking energy: -132.673 Base-Backbone interact. energy: 4.192 local terms energy: -234.816305 where: bonds (distance) C4'-P energy: -68.671 bonds (distance) P-C4' energy: -66.216 flat angles C4'-P-C4' energy: -60.788 flat angles P-C4'-P energy: -33.920 tors. eta vs tors. theta energy: -5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -339.038403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.038403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.038403 (E_RNA) where: Base-Base interactions energy: -118.582 where: short stacking energy: -112.807 Base-Backbone interact. energy: 0.557 local terms energy: -221.013083 where: bonds (distance) C4'-P energy: -52.550 bonds (distance) P-C4' energy: -83.793 flat angles C4'-P-C4' energy: -55.698 flat angles P-C4'-P energy: -28.124 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1385.047764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.047764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.047764 (E_RNA) where: Base-Base interactions energy: -934.271 where: short stacking energy: -429.173 Base-Backbone interact. energy: 0.427 local terms energy: -451.204433 where: bonds (distance) C4'-P energy: -81.525 bonds (distance) P-C4' energy: -86.127 flat angles C4'-P-C4' energy: -91.340 flat angles P-C4'-P energy: -62.197 tors. eta vs tors. theta energy: -130.015 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: 7 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1279.408845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.408845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.408845 (E_RNA) where: Base-Base interactions energy: -881.275 where: short stacking energy: -383.984 Base-Backbone interact. energy: -3.683 local terms energy: -394.450855 where: bonds (distance) C4'-P energy: -74.946 bonds (distance) P-C4' energy: -70.639 flat angles C4'-P-C4' energy: -86.793 flat angles P-C4'-P energy: -58.315 tors. eta vs tors. theta energy: -103.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1216.871040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.871040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.871040 (E_RNA) where: Base-Base interactions energy: -821.387 where: short stacking energy: -362.001 Base-Backbone interact. energy: -1.609 local terms energy: -393.875062 where: bonds (distance) C4'-P energy: -73.440 bonds (distance) P-C4' energy: -71.010 flat angles C4'-P-C4' energy: -89.778 flat angles P-C4'-P energy: -52.366 tors. eta vs tors. theta energy: -107.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1030.542972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.542972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.542972 (E_RNA) where: Base-Base interactions energy: -662.927 where: short stacking energy: -309.747 Base-Backbone interact. energy: -3.602 local terms energy: -364.013125 where: bonds (distance) C4'-P energy: -65.403 bonds (distance) P-C4' energy: -78.647 flat angles C4'-P-C4' energy: -74.541 flat angles P-C4'-P energy: -53.557 tors. eta vs tors. theta energy: -91.865 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: 4 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -903.675263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.675263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.675263 (E_RNA) where: Base-Base interactions energy: -555.650 where: short stacking energy: -254.098 Base-Backbone interact. energy: 0.944 local terms energy: -348.969398 where: bonds (distance) C4'-P energy: -69.079 bonds (distance) P-C4' energy: -80.634 flat angles C4'-P-C4' energy: -84.963 flat angles P-C4'-P energy: -50.335 tors. eta vs tors. theta energy: -63.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -759.875311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.875311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.875311 (E_RNA) where: Base-Base interactions energy: -458.656 where: short stacking energy: -241.023 Base-Backbone interact. energy: -0.665 local terms energy: -300.554398 where: bonds (distance) C4'-P energy: -66.763 bonds (distance) P-C4' energy: -61.027 flat angles C4'-P-C4' energy: -79.539 flat angles P-C4'-P energy: -45.201 tors. eta vs tors. theta energy: -48.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -649.295909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.295909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.295909 (E_RNA) where: Base-Base interactions energy: -367.795 where: short stacking energy: -201.633 Base-Backbone interact. energy: 3.331 local terms energy: -284.831657 where: bonds (distance) C4'-P energy: -66.965 bonds (distance) P-C4' energy: -71.416 flat angles C4'-P-C4' energy: -71.566 flat angles P-C4'-P energy: -39.929 tors. eta vs tors. theta energy: -34.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -586.654918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.654918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.654918 (E_RNA) where: Base-Base interactions energy: -334.548 where: short stacking energy: -205.241 Base-Backbone interact. energy: -0.641 local terms energy: -251.465901 where: bonds (distance) C4'-P energy: -60.415 bonds (distance) P-C4' energy: -63.632 flat angles C4'-P-C4' energy: -52.289 flat angles P-C4'-P energy: -41.976 tors. eta vs tors. theta energy: -33.153 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: 3 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -498.962719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.962719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.962719 (E_RNA) where: Base-Base interactions energy: -271.250 where: short stacking energy: -133.399 Base-Backbone interact. energy: 1.396 local terms energy: -229.108737 where: bonds (distance) C4'-P energy: -77.682 bonds (distance) P-C4' energy: -73.374 flat angles C4'-P-C4' energy: -41.357 flat angles P-C4'-P energy: -36.669 tors. eta vs tors. theta energy: -0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -338.173086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.173086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.173086 (E_RNA) where: Base-Base interactions energy: -128.943 where: short stacking energy: -92.724 Base-Backbone interact. energy: -1.227 local terms energy: -208.002827 where: bonds (distance) C4'-P energy: -57.411 bonds (distance) P-C4' energy: -74.482 flat angles C4'-P-C4' energy: -54.702 flat angles P-C4'-P energy: -39.954 tors. eta vs tors. theta energy: 18.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1356.158696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.158696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.158696 (E_RNA) where: Base-Base interactions energy: -919.152 where: short stacking energy: -438.731 Base-Backbone interact. energy: -0.648 local terms energy: -436.358241 where: bonds (distance) C4'-P energy: -85.557 bonds (distance) P-C4' energy: -69.032 flat angles C4'-P-C4' energy: -96.362 flat angles P-C4'-P energy: -57.980 tors. eta vs tors. theta energy: -127.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1256.588073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.588073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.588073 (E_RNA) where: Base-Base interactions energy: -835.042 where: short stacking energy: -398.342 Base-Backbone interact. energy: 0.146 local terms energy: -421.692586 where: bonds (distance) C4'-P energy: -77.716 bonds (distance) P-C4' energy: -80.978 flat angles C4'-P-C4' energy: -89.074 flat angles P-C4'-P energy: -55.005 tors. eta vs tors. theta energy: -118.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1247.622865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.622865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.622865 (E_RNA) where: Base-Base interactions energy: -849.995 where: short stacking energy: -395.567 Base-Backbone interact. energy: -0.899 local terms energy: -396.729632 where: bonds (distance) C4'-P energy: -74.050 bonds (distance) P-C4' energy: -74.287 flat angles C4'-P-C4' energy: -87.991 flat angles P-C4'-P energy: -52.563 tors. eta vs tors. theta energy: -107.839 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: 2 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1038.049408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.049408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.049408 (E_RNA) where: Base-Base interactions energy: -681.028 where: short stacking energy: -326.746 Base-Backbone interact. energy: -2.261 local terms energy: -354.759631 where: bonds (distance) C4'-P energy: -58.576 bonds (distance) P-C4' energy: -72.039 flat angles C4'-P-C4' energy: -79.728 flat angles P-C4'-P energy: -59.410 tors. eta vs tors. theta energy: -85.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -898.670739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.670739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.670739 (E_RNA) where: Base-Base interactions energy: -541.831 where: short stacking energy: -268.455 Base-Backbone interact. energy: -1.562 local terms energy: -355.277304 where: bonds (distance) C4'-P energy: -64.341 bonds (distance) P-C4' energy: -73.139 flat angles C4'-P-C4' energy: -91.801 flat angles P-C4'-P energy: -59.635 tors. eta vs tors. theta energy: -66.362 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: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -766.590864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.590864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.590864 (E_RNA) where: Base-Base interactions energy: -444.013 where: short stacking energy: -223.001 Base-Backbone interact. energy: 0.066 local terms energy: -322.643783 where: bonds (distance) C4'-P energy: -75.484 bonds (distance) P-C4' energy: -77.733 flat angles C4'-P-C4' energy: -76.183 flat angles P-C4'-P energy: -44.454 tors. eta vs tors. theta energy: -48.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -653.135206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.135206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.135206 (E_RNA) where: Base-Base interactions energy: -364.390 where: short stacking energy: -210.241 Base-Backbone interact. energy: 3.130 local terms energy: -291.875577 where: bonds (distance) C4'-P energy: -62.643 bonds (distance) P-C4' energy: -79.187 flat angles C4'-P-C4' energy: -77.909 flat angles P-C4'-P energy: -39.631 tors. eta vs tors. theta energy: -32.506 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: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -580.257366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.257366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.257366 (E_RNA) where: Base-Base interactions energy: -324.122 where: short stacking energy: -161.135 Base-Backbone interact. energy: -0.746 local terms energy: -255.389228 where: bonds (distance) C4'-P energy: -66.590 bonds (distance) P-C4' energy: -54.033 flat angles C4'-P-C4' energy: -66.648 flat angles P-C4'-P energy: -42.153 tors. eta vs tors. theta energy: -25.966 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: 3 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -462.576706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.576706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.576706 (E_RNA) where: Base-Base interactions energy: -231.537 where: short stacking energy: -124.912 Base-Backbone interact. energy: -0.986 local terms energy: -230.053690 where: bonds (distance) C4'-P energy: -56.457 bonds (distance) P-C4' energy: -60.414 flat angles C4'-P-C4' energy: -69.976 flat angles P-C4'-P energy: -31.963 tors. eta vs tors. theta energy: -11.244 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: 117 Temperature: 1.350000 Total energy: -317.045064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.045064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.045064 (E_RNA) where: Base-Base interactions energy: -102.778 where: short stacking energy: -91.358 Base-Backbone interact. energy: 3.675 local terms energy: -217.941445 where: bonds (distance) C4'-P energy: -71.655 bonds (distance) P-C4' energy: -71.936 flat angles C4'-P-C4' energy: -46.985 flat angles P-C4'-P energy: -38.211 tors. eta vs tors. theta energy: 10.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1377.809075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.809075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.809075 (E_RNA) where: Base-Base interactions energy: -931.288 where: short stacking energy: -426.472 Base-Backbone interact. energy: -0.904 local terms energy: -445.616511 where: bonds (distance) C4'-P energy: -73.422 bonds (distance) P-C4' energy: -78.050 flat angles C4'-P-C4' energy: -97.345 flat angles P-C4'-P energy: -66.907 tors. eta vs tors. theta energy: -129.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1243.644654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.644654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.644654 (E_RNA) where: Base-Base interactions energy: -848.082 where: short stacking energy: -371.981 Base-Backbone interact. energy: -2.047 local terms energy: -393.516177 where: bonds (distance) C4'-P energy: -79.578 bonds (distance) P-C4' energy: -71.262 flat angles C4'-P-C4' energy: -83.769 flat angles P-C4'-P energy: -54.698 tors. eta vs tors. theta energy: -104.210 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: 7 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1246.742666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.742666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.742666 (E_RNA) where: Base-Base interactions energy: -846.266 where: short stacking energy: -381.463 Base-Backbone interact. energy: -2.526 local terms energy: -397.950300 where: bonds (distance) C4'-P energy: -73.335 bonds (distance) P-C4' energy: -77.882 flat angles C4'-P-C4' energy: -78.482 flat angles P-C4'-P energy: -58.989 tors. eta vs tors. theta energy: -109.263 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: 118 Temperature: 1.050000 Total energy: -1052.241489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.241489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.241489 (E_RNA) where: Base-Base interactions energy: -682.993 where: short stacking energy: -319.712 Base-Backbone interact. energy: 0.750 local terms energy: -369.998611 where: bonds (distance) C4'-P energy: -75.551 bonds (distance) P-C4' energy: -67.245 flat angles C4'-P-C4' energy: -76.513 flat angles P-C4'-P energy: -61.422 tors. eta vs tors. theta energy: -89.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -885.540645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.540645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.540645 (E_RNA) where: Base-Base interactions energy: -555.117 where: short stacking energy: -259.685 Base-Backbone interact. energy: -2.589 local terms energy: -327.835171 where: bonds (distance) C4'-P energy: -77.054 bonds (distance) P-C4' energy: -80.897 flat angles C4'-P-C4' energy: -77.908 flat angles P-C4'-P energy: -34.231 tors. eta vs tors. theta energy: -57.744 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: 1 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -806.258150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.258150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.258150 (E_RNA) where: Base-Base interactions energy: -496.171 where: short stacking energy: -269.602 Base-Backbone interact. energy: -1.124 local terms energy: -308.962685 where: bonds (distance) C4'-P energy: -77.340 bonds (distance) P-C4' energy: -67.153 flat angles C4'-P-C4' energy: -63.367 flat angles P-C4'-P energy: -37.293 tors. eta vs tors. theta energy: -63.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -663.707444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.707444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.707444 (E_RNA) where: Base-Base interactions energy: -357.383 where: short stacking energy: -199.189 Base-Backbone interact. energy: -1.714 local terms energy: -304.610164 where: bonds (distance) C4'-P energy: -75.943 bonds (distance) P-C4' energy: -76.686 flat angles C4'-P-C4' energy: -79.760 flat angles P-C4'-P energy: -44.694 tors. eta vs tors. theta energy: -27.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -558.558009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.558009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.558009 (E_RNA) where: Base-Base interactions energy: -295.917 where: short stacking energy: -172.610 Base-Backbone interact. energy: -0.395 local terms energy: -262.246360 where: bonds (distance) C4'-P energy: -73.046 bonds (distance) P-C4' energy: -65.997 flat angles C4'-P-C4' energy: -56.883 flat angles P-C4'-P energy: -44.726 tors. eta vs tors. theta energy: -21.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -496.978945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.978945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.978945 (E_RNA) where: Base-Base interactions energy: -243.791 where: short stacking energy: -133.669 Base-Backbone interact. energy: -1.458 local terms energy: -251.729808 where: bonds (distance) C4'-P energy: -66.545 bonds (distance) P-C4' energy: -76.832 flat angles C4'-P-C4' energy: -68.007 flat angles P-C4'-P energy: -32.190 tors. eta vs tors. theta energy: -8.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -330.219260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.219260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.219260 (E_RNA) where: Base-Base interactions energy: -106.974 where: short stacking energy: -95.301 Base-Backbone interact. energy: -0.481 local terms energy: -222.764706 where: bonds (distance) C4'-P energy: -66.667 bonds (distance) P-C4' energy: -83.852 flat angles C4'-P-C4' energy: -56.909 flat angles P-C4'-P energy: -31.266 tors. eta vs tors. theta energy: 15.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1366.210655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.210655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.210655 (E_RNA) where: Base-Base interactions energy: -930.502 where: short stacking energy: -433.504 Base-Backbone interact. energy: -0.776 local terms energy: -434.932547 where: bonds (distance) C4'-P energy: -70.081 bonds (distance) P-C4' energy: -84.546 flat angles C4'-P-C4' energy: -91.982 flat angles P-C4'-P energy: -59.914 tors. eta vs tors. theta energy: -128.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1258.548379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.548379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.548379 (E_RNA) where: Base-Base interactions energy: -842.074 where: short stacking energy: -363.288 Base-Backbone interact. energy: -2.793 local terms energy: -413.680883 where: bonds (distance) C4'-P energy: -74.529 bonds (distance) P-C4' energy: -74.376 flat angles C4'-P-C4' energy: -89.394 flat angles P-C4'-P energy: -66.817 tors. eta vs tors. theta energy: -108.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1228.700356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.700356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.700356 (E_RNA) where: Base-Base interactions energy: -831.849 where: short stacking energy: -390.717 Base-Backbone interact. energy: -1.539 local terms energy: -395.312055 where: bonds (distance) C4'-P energy: -68.838 bonds (distance) P-C4' energy: -72.909 flat angles C4'-P-C4' energy: -87.538 flat angles P-C4'-P energy: -57.310 tors. eta vs tors. theta energy: -108.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1091.807578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.807578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.807578 (E_RNA) where: Base-Base interactions energy: -692.731 where: short stacking energy: -324.888 Base-Backbone interact. energy: -1.299 local terms energy: -397.777320 where: bonds (distance) C4'-P energy: -73.542 bonds (distance) P-C4' energy: -83.054 flat angles C4'-P-C4' energy: -85.893 flat angles P-C4'-P energy: -66.678 tors. eta vs tors. theta energy: -88.610 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: 4 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -940.841364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.841364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.841364 (E_RNA) where: Base-Base interactions energy: -591.348 where: short stacking energy: -297.379 Base-Backbone interact. energy: 0.306 local terms energy: -349.799339 where: bonds (distance) C4'-P energy: -70.680 bonds (distance) P-C4' energy: -63.227 flat angles C4'-P-C4' energy: -81.834 flat angles P-C4'-P energy: -47.935 tors. eta vs tors. theta energy: -86.124 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: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -792.814340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.814340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.814340 (E_RNA) where: Base-Base interactions energy: -469.961 where: short stacking energy: -256.608 Base-Backbone interact. energy: 3.814 local terms energy: -326.667764 where: bonds (distance) C4'-P energy: -78.437 bonds (distance) P-C4' energy: -60.705 flat angles C4'-P-C4' energy: -71.938 flat angles P-C4'-P energy: -51.529 tors. eta vs tors. theta energy: -64.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -646.762950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.762950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.762950 (E_RNA) where: Base-Base interactions energy: -366.500 where: short stacking energy: -206.838 Base-Backbone interact. energy: -1.334 local terms energy: -278.929126 where: bonds (distance) C4'-P energy: -67.200 bonds (distance) P-C4' energy: -77.689 flat angles C4'-P-C4' energy: -53.996 flat angles P-C4'-P energy: -45.167 tors. eta vs tors. theta energy: -34.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -572.564717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.564717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.564717 (E_RNA) where: Base-Base interactions energy: -293.999 where: short stacking energy: -173.479 Base-Backbone interact. energy: 1.634 local terms energy: -280.200462 where: bonds (distance) C4'-P energy: -70.477 bonds (distance) P-C4' energy: -71.990 flat angles C4'-P-C4' energy: -74.595 flat angles P-C4'-P energy: -43.629 tors. eta vs tors. theta energy: -19.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -457.041557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.041557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.041557 (E_RNA) where: Base-Base interactions energy: -220.031 where: short stacking energy: -129.869 Base-Backbone interact. energy: -2.310 local terms energy: -234.700833 where: bonds (distance) C4'-P energy: -66.430 bonds (distance) P-C4' energy: -67.816 flat angles C4'-P-C4' energy: -62.356 flat angles P-C4'-P energy: -41.379 tors. eta vs tors. theta energy: 3.280 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: 8 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -309.461576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.461576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.461576 (E_RNA) where: Base-Base interactions energy: -91.712 where: short stacking energy: -75.823 Base-Backbone interact. energy: 0.802 local terms energy: -218.552361 where: bonds (distance) C4'-P energy: -49.678 bonds (distance) P-C4' energy: -73.631 flat angles C4'-P-C4' energy: -65.306 flat angles P-C4'-P energy: -35.912 tors. eta vs tors. theta energy: 5.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1351.596477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.596477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.596477 (E_RNA) where: Base-Base interactions energy: -918.077 where: short stacking energy: -419.615 Base-Backbone interact. energy: -0.950 local terms energy: -432.569229 where: bonds (distance) C4'-P energy: -74.850 bonds (distance) P-C4' energy: -79.460 flat angles C4'-P-C4' energy: -93.494 flat angles P-C4'-P energy: -58.842 tors. eta vs tors. theta energy: -125.924 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: 7 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1249.924028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.924028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.924028 (E_RNA) where: Base-Base interactions energy: -835.505 where: short stacking energy: -379.750 Base-Backbone interact. energy: -1.852 local terms energy: -412.567709 where: bonds (distance) C4'-P energy: -70.339 bonds (distance) P-C4' energy: -80.071 flat angles C4'-P-C4' energy: -88.523 flat angles P-C4'-P energy: -62.108 tors. eta vs tors. theta energy: -111.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1206.550191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.550191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.550191 (E_RNA) where: Base-Base interactions energy: -801.743 where: short stacking energy: -378.761 Base-Backbone interact. energy: -1.702 local terms energy: -403.104544 where: bonds (distance) C4'-P energy: -66.788 bonds (distance) P-C4' energy: -85.868 flat angles C4'-P-C4' energy: -89.167 flat angles P-C4'-P energy: -53.489 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: 4, replica: 2 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1058.343297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.343297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.343297 (E_RNA) where: Base-Base interactions energy: -712.606 where: short stacking energy: -321.739 Base-Backbone interact. energy: -3.607 local terms energy: -342.130129 where: bonds (distance) C4'-P energy: -74.780 bonds (distance) P-C4' energy: -72.011 flat angles C4'-P-C4' energy: -70.083 flat angles P-C4'-P energy: -43.242 tors. eta vs tors. theta energy: -82.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -923.970895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.970895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.970895 (E_RNA) where: Base-Base interactions energy: -580.423 where: short stacking energy: -279.689 Base-Backbone interact. energy: -1.858 local terms energy: -341.690459 where: bonds (distance) C4'-P energy: -63.784 bonds (distance) P-C4' energy: -69.129 flat angles C4'-P-C4' energy: -75.458 flat angles P-C4'-P energy: -54.824 tors. eta vs tors. theta energy: -78.495 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: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -779.949811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.949811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.949811 (E_RNA) where: Base-Base interactions energy: -482.910 where: short stacking energy: -278.687 Base-Backbone interact. energy: -0.328 local terms energy: -296.711559 where: bonds (distance) C4'-P energy: -64.412 bonds (distance) P-C4' energy: -71.090 flat angles C4'-P-C4' energy: -65.472 flat angles P-C4'-P energy: -32.840 tors. eta vs tors. theta energy: -62.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -656.801531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.801531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.801531 (E_RNA) where: Base-Base interactions energy: -357.284 where: short stacking energy: -189.133 Base-Backbone interact. energy: -0.477 local terms energy: -299.040371 where: bonds (distance) C4'-P energy: -69.811 bonds (distance) P-C4' energy: -67.964 flat angles C4'-P-C4' energy: -72.103 flat angles P-C4'-P energy: -57.382 tors. eta vs tors. theta energy: -31.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -573.454955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.454955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.454955 (E_RNA) where: Base-Base interactions energy: -283.746 where: short stacking energy: -165.785 Base-Backbone interact. energy: -2.711 local terms energy: -286.998111 where: bonds (distance) C4'-P energy: -76.549 bonds (distance) P-C4' energy: -62.017 flat angles C4'-P-C4' energy: -79.088 flat angles P-C4'-P energy: -35.438 tors. eta vs tors. theta energy: -33.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -470.021884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.021884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.021884 (E_RNA) where: Base-Base interactions energy: -228.562 where: short stacking energy: -148.166 Base-Backbone interact. energy: -1.828 local terms energy: -239.632358 where: bonds (distance) C4'-P energy: -53.262 bonds (distance) P-C4' energy: -77.029 flat angles C4'-P-C4' energy: -64.978 flat angles P-C4'-P energy: -32.624 tors. eta vs tors. theta energy: -11.739 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: 120 Temperature: 1.350000 Total energy: -318.072071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.072071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.072071 (E_RNA) where: Base-Base interactions energy: -97.878 where: short stacking energy: -95.239 Base-Backbone interact. energy: 0.632 local terms energy: -220.826178 where: bonds (distance) C4'-P energy: -61.642 bonds (distance) P-C4' energy: -52.970 flat angles C4'-P-C4' energy: -56.278 flat angles P-C4'-P energy: -47.966 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1363.210989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.210989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.210989 (E_RNA) where: Base-Base interactions energy: -922.813 where: short stacking energy: -412.710 Base-Backbone interact. energy: -0.887 local terms energy: -439.511084 where: bonds (distance) C4'-P energy: -84.744 bonds (distance) P-C4' energy: -78.311 flat angles C4'-P-C4' energy: -89.078 flat angles P-C4'-P energy: -60.377 tors. eta vs tors. theta energy: -127.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1256.252442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.252442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.252442 (E_RNA) where: Base-Base interactions energy: -843.460 where: short stacking energy: -355.254 Base-Backbone interact. energy: -4.022 local terms energy: -408.770334 where: bonds (distance) C4'-P energy: -80.662 bonds (distance) P-C4' energy: -76.419 flat angles C4'-P-C4' energy: -90.040 flat angles P-C4'-P energy: -61.758 tors. eta vs tors. theta energy: -99.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1219.598443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.598443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.598443 (E_RNA) where: Base-Base interactions energy: -821.692 where: short stacking energy: -380.513 Base-Backbone interact. energy: 0.636 local terms energy: -398.542876 where: bonds (distance) C4'-P energy: -69.250 bonds (distance) P-C4' energy: -79.530 flat angles C4'-P-C4' energy: -84.036 flat angles P-C4'-P energy: -62.717 tors. eta vs tors. theta energy: -103.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1101.320586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.320586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.320586 (E_RNA) where: Base-Base interactions energy: -695.659 where: short stacking energy: -332.694 Base-Backbone interact. energy: -3.685 local terms energy: -401.976982 where: bonds (distance) C4'-P energy: -76.137 bonds (distance) P-C4' energy: -80.151 flat angles C4'-P-C4' energy: -81.535 flat angles P-C4'-P energy: -55.769 tors. eta vs tors. theta energy: -108.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -920.350439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.350439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.350439 (E_RNA) where: Base-Base interactions energy: -571.158 where: short stacking energy: -292.476 Base-Backbone interact. energy: 1.313 local terms energy: -350.505169 where: bonds (distance) C4'-P energy: -54.966 bonds (distance) P-C4' energy: -69.905 flat angles C4'-P-C4' energy: -93.553 flat angles P-C4'-P energy: -50.091 tors. eta vs tors. theta energy: -81.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -822.000988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.000988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.000988 (E_RNA) where: Base-Base interactions energy: -502.821 where: short stacking energy: -259.805 Base-Backbone interact. energy: 2.661 local terms energy: -321.841116 where: bonds (distance) C4'-P energy: -71.214 bonds (distance) P-C4' energy: -72.449 flat angles C4'-P-C4' energy: -71.587 flat angles P-C4'-P energy: -54.121 tors. eta vs tors. theta energy: -52.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -682.163512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.163512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.163512 (E_RNA) where: Base-Base interactions energy: -369.589 where: short stacking energy: -204.430 Base-Backbone interact. energy: -2.214 local terms energy: -310.360563 where: bonds (distance) C4'-P energy: -78.588 bonds (distance) P-C4' energy: -83.053 flat angles C4'-P-C4' energy: -67.858 flat angles P-C4'-P energy: -50.685 tors. eta vs tors. theta energy: -30.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -548.106264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.106264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.106264 (E_RNA) where: Base-Base interactions energy: -296.300 where: short stacking energy: -162.505 Base-Backbone interact. energy: 2.973 local terms energy: -254.778979 where: bonds (distance) C4'-P energy: -71.097 bonds (distance) P-C4' energy: -70.834 flat angles C4'-P-C4' energy: -54.999 flat angles P-C4'-P energy: -36.982 tors. eta vs tors. theta energy: -20.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -456.645480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.645480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.645480 (E_RNA) where: Base-Base interactions energy: -221.026 where: short stacking energy: -137.999 Base-Backbone interact. energy: -1.210 local terms energy: -234.410040 where: bonds (distance) C4'-P energy: -67.163 bonds (distance) P-C4' energy: -55.383 flat angles C4'-P-C4' energy: -54.859 flat angles P-C4'-P energy: -43.463 tors. eta vs tors. theta energy: -13.541 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: 121 Temperature: 1.350000 Total energy: -326.996106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.996106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.996106 (E_RNA) where: Base-Base interactions energy: -95.354 where: short stacking energy: -68.653 Base-Backbone interact. energy: -0.577 local terms energy: -231.065224 where: bonds (distance) C4'-P energy: -55.501 bonds (distance) P-C4' energy: -74.631 flat angles C4'-P-C4' energy: -78.727 flat angles P-C4'-P energy: -31.252 tors. eta vs tors. theta energy: 9.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1375.619917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.619917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.619917 (E_RNA) where: Base-Base interactions energy: -933.388 where: short stacking energy: -436.666 Base-Backbone interact. energy: -1.556 local terms energy: -440.675078 where: bonds (distance) C4'-P energy: -69.033 bonds (distance) P-C4' energy: -89.664 flat angles C4'-P-C4' energy: -94.142 flat angles P-C4'-P energy: -53.951 tors. eta vs tors. theta energy: -133.885 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: 7 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1255.328523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.328523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.328523 (E_RNA) where: Base-Base interactions energy: -827.246 where: short stacking energy: -379.577 Base-Backbone interact. energy: -1.371 local terms energy: -426.711011 where: bonds (distance) C4'-P energy: -77.416 bonds (distance) P-C4' energy: -84.983 flat angles C4'-P-C4' energy: -89.436 flat angles P-C4'-P energy: -60.299 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: 3, replica: 9 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1238.415235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.415235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.415235 (E_RNA) where: Base-Base interactions energy: -821.170 where: short stacking energy: -384.688 Base-Backbone interact. energy: -1.494 local terms energy: -415.751199 where: bonds (distance) C4'-P energy: -81.850 bonds (distance) P-C4' energy: -80.435 flat angles C4'-P-C4' energy: -92.190 flat angles P-C4'-P energy: -49.613 tors. eta vs tors. theta energy: -111.663 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: 2 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1042.881781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.881781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.881781 (E_RNA) where: Base-Base interactions energy: -690.504 where: short stacking energy: -332.529 Base-Backbone interact. energy: -2.871 local terms energy: -349.506101 where: bonds (distance) C4'-P energy: -60.964 bonds (distance) P-C4' energy: -73.029 flat angles C4'-P-C4' energy: -83.931 flat angles P-C4'-P energy: -41.634 tors. eta vs tors. theta energy: -89.949 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: 122 Temperature: 1.100000 Total energy: -937.383664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.383664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.383664 (E_RNA) where: Base-Base interactions energy: -599.152 where: short stacking energy: -303.017 Base-Backbone interact. energy: -0.946 local terms energy: -337.285169 where: bonds (distance) C4'-P energy: -72.395 bonds (distance) P-C4' energy: -67.615 flat angles C4'-P-C4' energy: -75.684 flat angles P-C4'-P energy: -43.012 tors. eta vs tors. theta energy: -78.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -809.887412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.887412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.887412 (E_RNA) where: Base-Base interactions energy: -482.185 where: short stacking energy: -224.776 Base-Backbone interact. energy: -2.176 local terms energy: -325.525988 where: bonds (distance) C4'-P energy: -66.907 bonds (distance) P-C4' energy: -77.738 flat angles C4'-P-C4' energy: -74.855 flat angles P-C4'-P energy: -51.655 tors. eta vs tors. theta energy: -54.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -729.081441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.081441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.081441 (E_RNA) where: Base-Base interactions energy: -442.280 where: short stacking energy: -220.534 Base-Backbone interact. energy: -2.246 local terms energy: -284.555513 where: bonds (distance) C4'-P energy: -61.631 bonds (distance) P-C4' energy: -70.500 flat angles C4'-P-C4' energy: -66.634 flat angles P-C4'-P energy: -51.050 tors. eta vs tors. theta energy: -34.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -543.964026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.964026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.964026 (E_RNA) where: Base-Base interactions energy: -284.923 where: short stacking energy: -142.731 Base-Backbone interact. energy: 0.603 local terms energy: -259.643463 where: bonds (distance) C4'-P energy: -70.624 bonds (distance) P-C4' energy: -60.739 flat angles C4'-P-C4' energy: -68.972 flat angles P-C4'-P energy: -40.272 tors. eta vs tors. theta energy: -19.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -455.954845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.954845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.954845 (E_RNA) where: Base-Base interactions energy: -216.535 where: short stacking energy: -123.667 Base-Backbone interact. energy: -0.931 local terms energy: -238.488833 where: bonds (distance) C4'-P energy: -72.541 bonds (distance) P-C4' energy: -63.305 flat angles C4'-P-C4' energy: -55.637 flat angles P-C4'-P energy: -34.908 tors. eta vs tors. theta energy: -12.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -339.428954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.428954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.428954 (E_RNA) where: Base-Base interactions energy: -151.442 where: short stacking energy: -99.663 Base-Backbone interact. energy: -1.639 local terms energy: -186.347587 where: bonds (distance) C4'-P energy: -60.860 bonds (distance) P-C4' energy: -56.112 flat angles C4'-P-C4' energy: -48.879 flat angles P-C4'-P energy: -35.476 tors. eta vs tors. theta energy: 14.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1371.956195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.956195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.956195 (E_RNA) where: Base-Base interactions energy: -913.835 where: short stacking energy: -415.577 Base-Backbone interact. energy: -1.166 local terms energy: -456.954844 where: bonds (distance) C4'-P energy: -84.014 bonds (distance) P-C4' energy: -88.966 flat angles C4'-P-C4' energy: -85.823 flat angles P-C4'-P energy: -66.036 tors. eta vs tors. theta energy: -132.115 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: 2, replica: 7 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1211.205149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.205149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.205149 (E_RNA) where: Base-Base interactions energy: -805.692 where: short stacking energy: -368.891 Base-Backbone interact. energy: 0.041 local terms energy: -405.554766 where: bonds (distance) C4'-P energy: -79.483 bonds (distance) P-C4' energy: -73.493 flat angles C4'-P-C4' energy: -87.897 flat angles P-C4'-P energy: -59.865 tors. eta vs tors. theta energy: -104.817 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: 123 Temperature: 1.000000 Total energy: -1251.103503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.103503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.103503 (E_RNA) where: Base-Base interactions energy: -829.719 where: short stacking energy: -376.560 Base-Backbone interact. energy: -2.119 local terms energy: -419.265379 where: bonds (distance) C4'-P energy: -82.977 bonds (distance) P-C4' energy: -72.335 flat angles C4'-P-C4' energy: -88.784 flat angles P-C4'-P energy: -58.150 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: 4, replica: 2 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1072.827139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.827139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.827139 (E_RNA) where: Base-Base interactions energy: -710.724 where: short stacking energy: -310.464 Base-Backbone interact. energy: -1.168 local terms energy: -360.935147 where: bonds (distance) C4'-P energy: -63.103 bonds (distance) P-C4' energy: -77.578 flat angles C4'-P-C4' energy: -82.592 flat angles P-C4'-P energy: -46.863 tors. eta vs tors. theta energy: -90.799 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: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -911.669633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.669633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.669633 (E_RNA) where: Base-Base interactions energy: -581.209 where: short stacking energy: -288.831 Base-Backbone interact. energy: -0.334 local terms energy: -330.126747 where: bonds (distance) C4'-P energy: -59.701 bonds (distance) P-C4' energy: -66.900 flat angles C4'-P-C4' energy: -87.784 flat angles P-C4'-P energy: -47.855 tors. eta vs tors. theta energy: -67.887 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: 1 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -858.668370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.668370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.668370 (E_RNA) where: Base-Base interactions energy: -535.938 where: short stacking energy: -284.374 Base-Backbone interact. energy: -2.014 local terms energy: -320.715918 where: bonds (distance) C4'-P energy: -53.904 bonds (distance) P-C4' energy: -56.568 flat angles C4'-P-C4' energy: -83.151 flat angles P-C4'-P energy: -46.444 tors. eta vs tors. theta energy: -80.650 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: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -725.672013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.672013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.672013 (E_RNA) where: Base-Base interactions energy: -421.948 where: short stacking energy: -203.428 Base-Backbone interact. energy: -0.255 local terms energy: -303.469934 where: bonds (distance) C4'-P energy: -71.993 bonds (distance) P-C4' energy: -68.742 flat angles C4'-P-C4' energy: -77.977 flat angles P-C4'-P energy: -45.629 tors. eta vs tors. theta energy: -39.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -556.649010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.649010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.649010 (E_RNA) where: Base-Base interactions energy: -283.820 where: short stacking energy: -146.677 Base-Backbone interact. energy: 1.386 local terms energy: -274.215579 where: bonds (distance) C4'-P energy: -72.979 bonds (distance) P-C4' energy: -77.312 flat angles C4'-P-C4' energy: -56.315 flat angles P-C4'-P energy: -43.098 tors. eta vs tors. theta energy: -24.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -469.578267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.578267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.578267 (E_RNA) where: Base-Base interactions energy: -227.446 where: short stacking energy: -154.418 Base-Backbone interact. energy: 2.532 local terms energy: -244.664399 where: bonds (distance) C4'-P energy: -63.118 bonds (distance) P-C4' energy: -70.475 flat angles C4'-P-C4' energy: -60.381 flat angles P-C4'-P energy: -39.224 tors. eta vs tors. theta energy: -11.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -328.694274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.694274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.694274 (E_RNA) where: Base-Base interactions energy: -111.080 where: short stacking energy: -80.247 Base-Backbone interact. energy: 4.105 local terms energy: -221.719228 where: bonds (distance) C4'-P energy: -65.332 bonds (distance) P-C4' energy: -72.652 flat angles C4'-P-C4' energy: -58.730 flat angles P-C4'-P energy: -30.835 tors. eta vs tors. theta energy: 5.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1372.652676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.652676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.652676 (E_RNA) where: Base-Base interactions energy: -923.782 where: short stacking energy: -420.518 Base-Backbone interact. energy: -0.157 local terms energy: -448.714261 where: bonds (distance) C4'-P energy: -77.466 bonds (distance) P-C4' energy: -83.765 flat angles C4'-P-C4' energy: -88.350 flat angles P-C4'-P energy: -68.438 tors. eta vs tors. theta energy: -130.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1234.381605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.381605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.381605 (E_RNA) where: Base-Base interactions energy: -815.957 where: short stacking energy: -372.645 Base-Backbone interact. energy: -2.671 local terms energy: -415.753200 where: bonds (distance) C4'-P energy: -83.091 bonds (distance) P-C4' energy: -85.404 flat angles C4'-P-C4' energy: -88.134 flat angles P-C4'-P energy: -51.826 tors. eta vs tors. theta energy: -107.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1243.165641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.165641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.165641 (E_RNA) where: Base-Base interactions energy: -834.511 where: short stacking energy: -409.730 Base-Backbone interact. energy: 1.108 local terms energy: -409.762870 where: bonds (distance) C4'-P energy: -70.433 bonds (distance) P-C4' energy: -68.239 flat angles C4'-P-C4' energy: -89.922 flat angles P-C4'-P energy: -60.581 tors. eta vs tors. theta energy: -120.589 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: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1099.256919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.256919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.256919 (E_RNA) where: Base-Base interactions energy: -726.495 where: short stacking energy: -318.576 Base-Backbone interact. energy: -1.620 local terms energy: -371.141982 where: bonds (distance) C4'-P energy: -76.907 bonds (distance) P-C4' energy: -75.013 flat angles C4'-P-C4' energy: -73.759 flat angles P-C4'-P energy: -50.910 tors. eta vs tors. theta energy: -94.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -904.572527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.572527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.572527 (E_RNA) where: Base-Base interactions energy: -570.884 where: short stacking energy: -256.700 Base-Backbone interact. energy: -2.559 local terms energy: -331.129783 where: bonds (distance) C4'-P energy: -81.930 bonds (distance) P-C4' energy: -71.615 flat angles C4'-P-C4' energy: -68.581 flat angles P-C4'-P energy: -45.937 tors. eta vs tors. theta energy: -63.067 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: 124 Temperature: 1.150000 Total energy: -847.239170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.239170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.239170 (E_RNA) where: Base-Base interactions energy: -503.279 where: short stacking energy: -247.555 Base-Backbone interact. energy: -1.202 local terms energy: -342.757733 where: bonds (distance) C4'-P energy: -67.541 bonds (distance) P-C4' energy: -79.746 flat angles C4'-P-C4' energy: -85.336 flat angles P-C4'-P energy: -45.327 tors. eta vs tors. theta energy: -64.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -658.862255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.862255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.862255 (E_RNA) where: Base-Base interactions energy: -352.042 where: short stacking energy: -193.672 Base-Backbone interact. energy: -0.864 local terms energy: -305.956049 where: bonds (distance) C4'-P energy: -73.632 bonds (distance) P-C4' energy: -81.179 flat angles C4'-P-C4' energy: -83.493 flat angles P-C4'-P energy: -35.869 tors. eta vs tors. theta energy: -31.783 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: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -561.690711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.690711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.690711 (E_RNA) where: Base-Base interactions energy: -287.676 where: short stacking energy: -154.195 Base-Backbone interact. energy: -0.104 local terms energy: -273.911336 where: bonds (distance) C4'-P energy: -72.640 bonds (distance) P-C4' energy: -72.391 flat angles C4'-P-C4' energy: -62.456 flat angles P-C4'-P energy: -39.332 tors. eta vs tors. theta energy: -27.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -446.661629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.661629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.661629 (E_RNA) where: Base-Base interactions energy: -202.365 where: short stacking energy: -121.493 Base-Backbone interact. energy: 1.021 local terms energy: -245.317309 where: bonds (distance) C4'-P energy: -66.825 bonds (distance) P-C4' energy: -63.038 flat angles C4'-P-C4' energy: -66.836 flat angles P-C4'-P energy: -42.196 tors. eta vs tors. theta energy: -6.422 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: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -314.963903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.963903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.963903 (E_RNA) where: Base-Base interactions energy: -101.476 where: short stacking energy: -80.992 Base-Backbone interact. energy: 1.100 local terms energy: -214.588274 where: bonds (distance) C4'-P energy: -68.710 bonds (distance) P-C4' energy: -67.382 flat angles C4'-P-C4' energy: -57.171 flat angles P-C4'-P energy: -34.009 tors. eta vs tors. theta energy: 12.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1357.713877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.713877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.713877 (E_RNA) where: Base-Base interactions energy: -911.794 where: short stacking energy: -434.756 Base-Backbone interact. energy: -0.489 local terms energy: -445.430544 where: bonds (distance) C4'-P energy: -79.513 bonds (distance) P-C4' energy: -87.232 flat angles C4'-P-C4' energy: -99.166 flat angles P-C4'-P energy: -53.106 tors. eta vs tors. theta energy: -126.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1243.058942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.058942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.058942 (E_RNA) where: Base-Base interactions energy: -805.423 where: short stacking energy: -365.832 Base-Backbone interact. energy: -1.425 local terms energy: -436.211003 where: bonds (distance) C4'-P energy: -87.169 bonds (distance) P-C4' energy: -78.212 flat angles C4'-P-C4' energy: -96.419 flat angles P-C4'-P energy: -62.880 tors. eta vs tors. theta energy: -111.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1210.572740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.572740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.572740 (E_RNA) where: Base-Base interactions energy: -814.420 where: short stacking energy: -362.543 Base-Backbone interact. energy: -1.500 local terms energy: -394.653181 where: bonds (distance) C4'-P energy: -68.487 bonds (distance) P-C4' energy: -75.497 flat angles C4'-P-C4' energy: -90.380 flat angles P-C4'-P energy: -57.555 tors. eta vs tors. theta energy: -102.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1099.853929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.853929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.853929 (E_RNA) where: Base-Base interactions energy: -755.240 where: short stacking energy: -354.920 Base-Backbone interact. energy: -1.319 local terms energy: -343.294911 where: bonds (distance) C4'-P energy: -56.811 bonds (distance) P-C4' energy: -56.274 flat angles C4'-P-C4' energy: -83.188 flat angles P-C4'-P energy: -49.138 tors. eta vs tors. theta energy: -97.884 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: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -923.263627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.263627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.263627 (E_RNA) where: Base-Base interactions energy: -582.772 where: short stacking energy: -274.956 Base-Backbone interact. energy: -2.080 local terms energy: -338.411187 where: bonds (distance) C4'-P energy: -71.654 bonds (distance) P-C4' energy: -62.808 flat angles C4'-P-C4' energy: -77.030 flat angles P-C4'-P energy: -49.235 tors. eta vs tors. theta energy: -77.684 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: 1 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -817.537178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.537178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.537178 (E_RNA) where: Base-Base interactions energy: -491.852 where: short stacking energy: -244.127 Base-Backbone interact. energy: 2.419 local terms energy: -328.104014 where: bonds (distance) C4'-P energy: -79.431 bonds (distance) P-C4' energy: -68.812 flat angles C4'-P-C4' energy: -70.863 flat angles P-C4'-P energy: -52.486 tors. eta vs tors. theta energy: -56.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -671.616355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.616355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.616355 (E_RNA) where: Base-Base interactions energy: -384.825 where: short stacking energy: -218.278 Base-Backbone interact. energy: -1.261 local terms energy: -285.529998 where: bonds (distance) C4'-P energy: -73.845 bonds (distance) P-C4' energy: -68.895 flat angles C4'-P-C4' energy: -67.813 flat angles P-C4'-P energy: -41.432 tors. eta vs tors. theta energy: -33.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -589.131273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.131273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.131273 (E_RNA) where: Base-Base interactions energy: -322.405 where: short stacking energy: -170.110 Base-Backbone interact. energy: -0.419 local terms energy: -266.306396 where: bonds (distance) C4'-P energy: -67.657 bonds (distance) P-C4' energy: -72.439 flat angles C4'-P-C4' energy: -62.898 flat angles P-C4'-P energy: -36.578 tors. eta vs tors. theta energy: -26.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -467.923645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.923645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.923645 (E_RNA) where: Base-Base interactions energy: -250.349 where: short stacking energy: -159.374 Base-Backbone interact. energy: 4.652 local terms energy: -222.226876 where: bonds (distance) C4'-P energy: -53.068 bonds (distance) P-C4' energy: -65.079 flat angles C4'-P-C4' energy: -64.144 flat angles P-C4'-P energy: -43.229 tors. eta vs tors. theta energy: 3.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -328.444958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.444958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.444958 (E_RNA) where: Base-Base interactions energy: -112.013 where: short stacking energy: -107.655 Base-Backbone interact. energy: -2.778 local terms energy: -213.654394 where: bonds (distance) C4'-P energy: -61.765 bonds (distance) P-C4' energy: -69.492 flat angles C4'-P-C4' energy: -58.002 flat angles P-C4'-P energy: -32.482 tors. eta vs tors. theta energy: 8.087 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: 10 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1355.509648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.509648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.509648 (E_RNA) where: Base-Base interactions energy: -893.062 where: short stacking energy: -379.403 Base-Backbone interact. energy: -1.323 local terms energy: -461.124535 where: bonds (distance) C4'-P energy: -84.977 bonds (distance) P-C4' energy: -79.712 flat angles C4'-P-C4' energy: -101.846 flat angles P-C4'-P energy: -67.544 tors. eta vs tors. theta energy: -127.045 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: 126 Temperature: 0.950000 Total energy: -1250.764614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.764614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.764614 (E_RNA) where: Base-Base interactions energy: -823.078 where: short stacking energy: -393.415 Base-Backbone interact. energy: 0.790 local terms energy: -428.476204 where: bonds (distance) C4'-P energy: -77.938 bonds (distance) P-C4' energy: -84.886 flat angles C4'-P-C4' energy: -89.508 flat angles P-C4'-P energy: -63.686 tors. eta vs tors. theta energy: -112.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1175.060284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.060284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.060284 (E_RNA) where: Base-Base interactions energy: -804.133 where: short stacking energy: -327.930 Base-Backbone interact. energy: -4.268 local terms energy: -366.658964 where: bonds (distance) C4'-P energy: -65.157 bonds (distance) P-C4' energy: -84.304 flat angles C4'-P-C4' energy: -86.300 flat angles P-C4'-P energy: -49.129 tors. eta vs tors. theta energy: -81.769 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: 126 Temperature: 1.050000 Total energy: -1084.486576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.486576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.486576 (E_RNA) where: Base-Base interactions energy: -705.620 where: short stacking energy: -335.582 Base-Backbone interact. energy: -1.060 local terms energy: -377.807053 where: bonds (distance) C4'-P energy: -76.450 bonds (distance) P-C4' energy: -65.035 flat angles C4'-P-C4' energy: -87.248 flat angles P-C4'-P energy: -52.863 tors. eta vs tors. theta energy: -96.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -934.719103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.719103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.719103 (E_RNA) where: Base-Base interactions energy: -590.061 where: short stacking energy: -298.127 Base-Backbone interact. energy: 0.405 local terms energy: -345.062836 where: bonds (distance) C4'-P energy: -67.689 bonds (distance) P-C4' energy: -77.043 flat angles C4'-P-C4' energy: -73.531 flat angles P-C4'-P energy: -47.427 tors. eta vs tors. theta energy: -79.373 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: 1 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -801.101066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.101066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.101066 (E_RNA) where: Base-Base interactions energy: -491.434 where: short stacking energy: -259.435 Base-Backbone interact. energy: -0.570 local terms energy: -309.097268 where: bonds (distance) C4'-P energy: -59.511 bonds (distance) P-C4' energy: -67.619 flat angles C4'-P-C4' energy: -76.803 flat angles P-C4'-P energy: -41.289 tors. eta vs tors. theta energy: -63.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -653.534150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.534150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.534150 (E_RNA) where: Base-Base interactions energy: -378.321 where: short stacking energy: -205.414 Base-Backbone interact. energy: 6.985 local terms energy: -282.197877 where: bonds (distance) C4'-P energy: -77.749 bonds (distance) P-C4' energy: -64.768 flat angles C4'-P-C4' energy: -59.301 flat angles P-C4'-P energy: -44.266 tors. eta vs tors. theta energy: -36.113 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: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -563.727287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.727287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.727287 (E_RNA) where: Base-Base interactions energy: -285.908 where: short stacking energy: -158.619 Base-Backbone interact. energy: -0.305 local terms energy: -277.514635 where: bonds (distance) C4'-P energy: -62.447 bonds (distance) P-C4' energy: -75.855 flat angles C4'-P-C4' energy: -66.036 flat angles P-C4'-P energy: -49.056 tors. eta vs tors. theta energy: -24.122 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: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -476.040543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.040543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.040543 (E_RNA) where: Base-Base interactions energy: -247.988 where: short stacking energy: -130.436 Base-Backbone interact. energy: -0.107 local terms energy: -227.945160 where: bonds (distance) C4'-P energy: -56.198 bonds (distance) P-C4' energy: -73.680 flat angles C4'-P-C4' energy: -51.776 flat angles P-C4'-P energy: -33.131 tors. eta vs tors. theta energy: -13.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -319.520031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.520031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.520031 (E_RNA) where: Base-Base interactions energy: -98.546 where: short stacking energy: -96.224 Base-Backbone interact. energy: 1.155 local terms energy: -222.128879 where: bonds (distance) C4'-P energy: -65.585 bonds (distance) P-C4' energy: -62.115 flat angles C4'-P-C4' energy: -68.376 flat angles P-C4'-P energy: -38.322 tors. eta vs tors. theta energy: 12.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1353.026254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.026254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.026254 (E_RNA) where: Base-Base interactions energy: -905.464 where: short stacking energy: -418.705 Base-Backbone interact. energy: -0.695 local terms energy: -446.867036 where: bonds (distance) C4'-P energy: -77.723 bonds (distance) P-C4' energy: -82.305 flat angles C4'-P-C4' energy: -91.073 flat angles P-C4'-P energy: -68.204 tors. eta vs tors. theta energy: -127.563 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: 9 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1272.599509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.599509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.599509 (E_RNA) where: Base-Base interactions energy: -835.049 where: short stacking energy: -399.606 Base-Backbone interact. energy: -2.181 local terms energy: -435.369491 where: bonds (distance) C4'-P energy: -86.151 bonds (distance) P-C4' energy: -83.462 flat angles C4'-P-C4' energy: -87.080 flat angles P-C4'-P energy: -59.215 tors. eta vs tors. theta energy: -119.463 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: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1213.201094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.201094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.201094 (E_RNA) where: Base-Base interactions energy: -819.914 where: short stacking energy: -358.168 Base-Backbone interact. energy: -3.267 local terms energy: -390.019619 where: bonds (distance) C4'-P energy: -74.632 bonds (distance) P-C4' energy: -75.184 flat angles C4'-P-C4' energy: -83.687 flat angles P-C4'-P energy: -54.335 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: 4, replica: 2 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1088.255621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.255621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.255621 (E_RNA) where: Base-Base interactions energy: -702.946 where: short stacking energy: -323.457 Base-Backbone interact. energy: -2.052 local terms energy: -383.257795 where: bonds (distance) C4'-P energy: -74.488 bonds (distance) P-C4' energy: -74.290 flat angles C4'-P-C4' energy: -88.499 flat angles P-C4'-P energy: -56.061 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: 5, replica: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -914.089526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.089526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.089526 (E_RNA) where: Base-Base interactions energy: -578.525 where: short stacking energy: -279.175 Base-Backbone interact. energy: -2.283 local terms energy: -333.281624 where: bonds (distance) C4'-P energy: -77.523 bonds (distance) P-C4' energy: -71.490 flat angles C4'-P-C4' energy: -65.967 flat angles P-C4'-P energy: -38.902 tors. eta vs tors. theta energy: -79.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -896.190892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.190892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.190892 (E_RNA) where: Base-Base interactions energy: -565.135 where: short stacking energy: -270.185 Base-Backbone interact. energy: -0.842 local terms energy: -330.214332 where: bonds (distance) C4'-P energy: -64.475 bonds (distance) P-C4' energy: -69.917 flat angles C4'-P-C4' energy: -75.818 flat angles P-C4'-P energy: -52.104 tors. eta vs tors. theta energy: -67.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -677.759387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.759387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.759387 (E_RNA) where: Base-Base interactions energy: -371.140 where: short stacking energy: -204.530 Base-Backbone interact. energy: 0.306 local terms energy: -306.925992 where: bonds (distance) C4'-P energy: -74.068 bonds (distance) P-C4' energy: -63.873 flat angles C4'-P-C4' energy: -77.775 flat angles P-C4'-P energy: -46.124 tors. eta vs tors. theta energy: -45.087 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: 5 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -603.844907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.844907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.844907 (E_RNA) where: Base-Base interactions energy: -314.743 where: short stacking energy: -180.957 Base-Backbone interact. energy: 1.500 local terms energy: -290.602212 where: bonds (distance) C4'-P energy: -72.429 bonds (distance) P-C4' energy: -64.620 flat angles C4'-P-C4' energy: -68.704 flat angles P-C4'-P energy: -44.076 tors. eta vs tors. theta energy: -40.772 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: 9, replica: 3 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -471.474687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.474687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.474687 (E_RNA) where: Base-Base interactions energy: -250.457 where: short stacking energy: -134.223 Base-Backbone interact. energy: 2.832 local terms energy: -223.849169 where: bonds (distance) C4'-P energy: -82.869 bonds (distance) P-C4' energy: -55.495 flat angles C4'-P-C4' energy: -53.352 flat angles P-C4'-P energy: -28.670 tors. eta vs tors. theta energy: -3.463 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: 127 Temperature: 1.350000 Total energy: -326.548239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.548239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.548239 (E_RNA) where: Base-Base interactions energy: -103.473 where: short stacking energy: -86.732 Base-Backbone interact. energy: 0.046 local terms energy: -223.121226 where: bonds (distance) C4'-P energy: -70.824 bonds (distance) P-C4' energy: -73.193 flat angles C4'-P-C4' energy: -56.465 flat angles P-C4'-P energy: -35.196 tors. eta vs tors. theta energy: 12.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1348.990782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.990782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.990782 (E_RNA) where: Base-Base interactions energy: -908.142 where: short stacking energy: -421.301 Base-Backbone interact. energy: 1.159 local terms energy: -442.007861 where: bonds (distance) C4'-P energy: -72.606 bonds (distance) P-C4' energy: -84.935 flat angles C4'-P-C4' energy: -92.146 flat angles P-C4'-P energy: -66.574 tors. eta vs tors. theta energy: -125.747 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: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1288.895379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.895379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.895379 (E_RNA) where: Base-Base interactions energy: -872.350 where: short stacking energy: -402.051 Base-Backbone interact. energy: -0.357 local terms energy: -416.188931 where: bonds (distance) C4'-P energy: -67.636 bonds (distance) P-C4' energy: -77.965 flat angles C4'-P-C4' energy: -84.338 flat angles P-C4'-P energy: -64.423 tors. eta vs tors. theta energy: -121.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1217.643579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.643579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.643579 (E_RNA) where: Base-Base interactions energy: -831.192 where: short stacking energy: -388.451 Base-Backbone interact. energy: -1.512 local terms energy: -384.939472 where: bonds (distance) C4'-P energy: -63.209 bonds (distance) P-C4' energy: -66.639 flat angles C4'-P-C4' energy: -88.054 flat angles P-C4'-P energy: -53.488 tors. eta vs tors. theta energy: -113.550 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: 4, replica: 2 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1088.767841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.767841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.767841 (E_RNA) where: Base-Base interactions energy: -724.445 where: short stacking energy: -324.595 Base-Backbone interact. energy: 0.007 local terms energy: -364.329093 where: bonds (distance) C4'-P energy: -79.768 bonds (distance) P-C4' energy: -55.275 flat angles C4'-P-C4' energy: -84.188 flat angles P-C4'-P energy: -51.405 tors. eta vs tors. theta energy: -93.692 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: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -985.299538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.299538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.299538 (E_RNA) where: Base-Base interactions energy: -598.294 where: short stacking energy: -309.908 Base-Backbone interact. energy: -0.868 local terms energy: -386.137463 where: bonds (distance) C4'-P energy: -75.007 bonds (distance) P-C4' energy: -76.341 flat angles C4'-P-C4' energy: -80.649 flat angles P-C4'-P energy: -58.627 tors. eta vs tors. theta energy: -95.513 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: 1 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -852.669237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.669237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.669237 (E_RNA) where: Base-Base interactions energy: -544.063 where: short stacking energy: -259.114 Base-Backbone interact. energy: -1.834 local terms energy: -306.771586 where: bonds (distance) C4'-P energy: -72.454 bonds (distance) P-C4' energy: -67.002 flat angles C4'-P-C4' energy: -69.411 flat angles P-C4'-P energy: -39.818 tors. eta vs tors. theta energy: -58.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -621.149768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.149768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.149768 (E_RNA) where: Base-Base interactions energy: -350.250 where: short stacking energy: -191.684 Base-Backbone interact. energy: -1.907 local terms energy: -268.992807 where: bonds (distance) C4'-P energy: -66.748 bonds (distance) P-C4' energy: -76.423 flat angles C4'-P-C4' energy: -66.867 flat angles P-C4'-P energy: -36.219 tors. eta vs tors. theta energy: -22.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -605.125856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.125856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.125856 (E_RNA) where: Base-Base interactions energy: -347.858 where: short stacking energy: -171.095 Base-Backbone interact. energy: 0.273 local terms energy: -257.540306 where: bonds (distance) C4'-P energy: -65.599 bonds (distance) P-C4' energy: -62.370 flat angles C4'-P-C4' energy: -60.406 flat angles P-C4'-P energy: -48.630 tors. eta vs tors. theta energy: -20.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -499.589451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.589451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.589451 (E_RNA) where: Base-Base interactions energy: -237.159 where: short stacking energy: -145.826 Base-Backbone interact. energy: -1.588 local terms energy: -260.843165 where: bonds (distance) C4'-P energy: -65.301 bonds (distance) P-C4' energy: -65.241 flat angles C4'-P-C4' energy: -59.509 flat angles P-C4'-P energy: -48.047 tors. eta vs tors. theta energy: -22.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -326.063216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.063216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.063216 (E_RNA) where: Base-Base interactions energy: -107.009 where: short stacking energy: -85.835 Base-Backbone interact. energy: -2.082 local terms energy: -216.972852 where: bonds (distance) C4'-P energy: -64.180 bonds (distance) P-C4' energy: -72.428 flat angles C4'-P-C4' energy: -64.633 flat angles P-C4'-P energy: -32.234 tors. eta vs tors. theta energy: 16.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1349.623281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.623281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.623281 (E_RNA) where: Base-Base interactions energy: -916.350 where: short stacking energy: -418.500 Base-Backbone interact. energy: -0.739 local terms energy: -432.534655 where: bonds (distance) C4'-P energy: -82.661 bonds (distance) P-C4' energy: -69.704 flat angles C4'-P-C4' energy: -90.004 flat angles P-C4'-P energy: -67.560 tors. eta vs tors. theta energy: -122.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1269.986238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.986238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.986238 (E_RNA) where: Base-Base interactions energy: -852.161 where: short stacking energy: -400.608 Base-Backbone interact. energy: -2.100 local terms energy: -415.725103 where: bonds (distance) C4'-P energy: -71.683 bonds (distance) P-C4' energy: -74.987 flat angles C4'-P-C4' energy: -93.380 flat angles P-C4'-P energy: -60.679 tors. eta vs tors. theta energy: -114.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1185.238598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.238598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.238598 (E_RNA) where: Base-Base interactions energy: -780.040 where: short stacking energy: -372.477 Base-Backbone interact. energy: -0.735 local terms energy: -404.463793 where: bonds (distance) C4'-P energy: -76.397 bonds (distance) P-C4' energy: -70.272 flat angles C4'-P-C4' energy: -90.806 flat angles P-C4'-P energy: -54.435 tors. eta vs tors. theta energy: -112.553 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: 129 Temperature: 1.050000 Total energy: -1078.623618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.623618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.623618 (E_RNA) where: Base-Base interactions energy: -711.756 where: short stacking energy: -308.647 Base-Backbone interact. energy: 1.302 local terms energy: -368.169200 where: bonds (distance) C4'-P energy: -69.385 bonds (distance) P-C4' energy: -84.106 flat angles C4'-P-C4' energy: -85.840 flat angles P-C4'-P energy: -51.844 tors. eta vs tors. theta energy: -76.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -925.391884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.391884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.391884 (E_RNA) where: Base-Base interactions energy: -582.005 where: short stacking energy: -285.069 Base-Backbone interact. energy: -0.171 local terms energy: -343.215689 where: bonds (distance) C4'-P energy: -68.718 bonds (distance) P-C4' energy: -70.646 flat angles C4'-P-C4' energy: -73.017 flat angles P-C4'-P energy: -55.012 tors. eta vs tors. theta energy: -75.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -847.587533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.587533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.587533 (E_RNA) where: Base-Base interactions energy: -556.078 where: short stacking energy: -270.097 Base-Backbone interact. energy: -0.603 local terms energy: -290.906323 where: bonds (distance) C4'-P energy: -82.051 bonds (distance) P-C4' energy: -58.267 flat angles C4'-P-C4' energy: -58.689 flat angles P-C4'-P energy: -37.380 tors. eta vs tors. theta energy: -54.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -635.756799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.756799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.756799 (E_RNA) where: Base-Base interactions energy: -360.908 where: short stacking energy: -203.522 Base-Backbone interact. energy: -1.605 local terms energy: -273.243934 where: bonds (distance) C4'-P energy: -61.177 bonds (distance) P-C4' energy: -63.702 flat angles C4'-P-C4' energy: -67.038 flat angles P-C4'-P energy: -48.713 tors. eta vs tors. theta energy: -32.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -617.316129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.316129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.316129 (E_RNA) where: Base-Base interactions energy: -322.892 where: short stacking energy: -180.806 Base-Backbone interact. energy: -1.444 local terms energy: -292.980460 where: bonds (distance) C4'-P energy: -73.404 bonds (distance) P-C4' energy: -76.649 flat angles C4'-P-C4' energy: -70.335 flat angles P-C4'-P energy: -38.868 tors. eta vs tors. theta energy: -33.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -504.413824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.413824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.413824 (E_RNA) where: Base-Base interactions energy: -277.117 where: short stacking energy: -163.131 Base-Backbone interact. energy: -0.747 local terms energy: -226.550210 where: bonds (distance) C4'-P energy: -59.671 bonds (distance) P-C4' energy: -59.949 flat angles C4'-P-C4' energy: -55.862 flat angles P-C4'-P energy: -38.264 tors. eta vs tors. theta energy: -12.804 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: 10, replica: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -321.051553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.051553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.051553 (E_RNA) where: Base-Base interactions energy: -110.910 where: short stacking energy: -75.688 Base-Backbone interact. energy: 1.475 local terms energy: -211.617348 where: bonds (distance) C4'-P energy: -61.624 bonds (distance) P-C4' energy: -60.631 flat angles C4'-P-C4' energy: -59.594 flat angles P-C4'-P energy: -46.703 tors. eta vs tors. theta energy: 16.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1351.860542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.860542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.860542 (E_RNA) where: Base-Base interactions energy: -913.362 where: short stacking energy: -420.547 Base-Backbone interact. energy: -1.417 local terms energy: -437.081430 where: bonds (distance) C4'-P energy: -75.984 bonds (distance) P-C4' energy: -73.854 flat angles C4'-P-C4' energy: -97.032 flat angles P-C4'-P energy: -66.379 tors. eta vs tors. theta energy: -123.832 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: 130 Temperature: 0.950000 Total energy: -1294.243726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.243726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.243726 (E_RNA) where: Base-Base interactions energy: -855.994 where: short stacking energy: -411.141 Base-Backbone interact. energy: -1.363 local terms energy: -436.886761 where: bonds (distance) C4'-P energy: -82.170 bonds (distance) P-C4' energy: -78.178 flat angles C4'-P-C4' energy: -87.649 flat angles P-C4'-P energy: -69.349 tors. eta vs tors. theta energy: -119.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1196.081607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.081607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.081607 (E_RNA) where: Base-Base interactions energy: -799.354 where: short stacking energy: -352.843 Base-Backbone interact. energy: -3.231 local terms energy: -393.497185 where: bonds (distance) C4'-P energy: -72.532 bonds (distance) P-C4' energy: -73.608 flat angles C4'-P-C4' energy: -88.865 flat angles P-C4'-P energy: -53.958 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: 4, replica: 2 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1038.670437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.670437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.670437 (E_RNA) where: Base-Base interactions energy: -676.912 where: short stacking energy: -283.218 Base-Backbone interact. energy: 1.760 local terms energy: -363.518149 where: bonds (distance) C4'-P energy: -76.649 bonds (distance) P-C4' energy: -71.711 flat angles C4'-P-C4' energy: -81.514 flat angles P-C4'-P energy: -55.986 tors. eta vs tors. theta energy: -77.659 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: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -930.203506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.203506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.203506 (E_RNA) where: Base-Base interactions energy: -587.597 where: short stacking energy: -280.832 Base-Backbone interact. energy: -1.685 local terms energy: -340.921591 where: bonds (distance) C4'-P energy: -64.788 bonds (distance) P-C4' energy: -79.545 flat angles C4'-P-C4' energy: -82.505 flat angles P-C4'-P energy: -36.660 tors. eta vs tors. theta energy: -77.423 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: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -901.586883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.586883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.586883 (E_RNA) where: Base-Base interactions energy: -583.773 where: short stacking energy: -276.948 Base-Backbone interact. energy: -1.304 local terms energy: -316.510120 where: bonds (distance) C4'-P energy: -55.335 bonds (distance) P-C4' energy: -69.442 flat angles C4'-P-C4' energy: -76.602 flat angles P-C4'-P energy: -51.070 tors. eta vs tors. theta energy: -64.061 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: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -627.211757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.211757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.211757 (E_RNA) where: Base-Base interactions energy: -348.001 where: short stacking energy: -193.618 Base-Backbone interact. energy: 2.764 local terms energy: -281.974468 where: bonds (distance) C4'-P energy: -70.337 bonds (distance) P-C4' energy: -74.358 flat angles C4'-P-C4' energy: -59.759 flat angles P-C4'-P energy: -42.258 tors. eta vs tors. theta energy: -35.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -554.050210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.050210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.050210 (E_RNA) where: Base-Base interactions energy: -295.077 where: short stacking energy: -173.196 Base-Backbone interact. energy: 2.472 local terms energy: -261.444966 where: bonds (distance) C4'-P energy: -80.610 bonds (distance) P-C4' energy: -71.999 flat angles C4'-P-C4' energy: -51.464 flat angles P-C4'-P energy: -37.877 tors. eta vs tors. theta energy: -19.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -526.582501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.582501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.582501 (E_RNA) where: Base-Base interactions energy: -277.595 where: short stacking energy: -175.004 Base-Backbone interact. energy: 1.044 local terms energy: -250.031804 where: bonds (distance) C4'-P energy: -68.418 bonds (distance) P-C4' energy: -51.361 flat angles C4'-P-C4' energy: -74.311 flat angles P-C4'-P energy: -34.153 tors. eta vs tors. theta energy: -21.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -326.160170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.160170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.160170 (E_RNA) where: Base-Base interactions energy: -119.557 where: short stacking energy: -80.316 Base-Backbone interact. energy: 4.566 local terms energy: -211.169680 where: bonds (distance) C4'-P energy: -58.371 bonds (distance) P-C4' energy: -71.141 flat angles C4'-P-C4' energy: -67.709 flat angles P-C4'-P energy: -28.888 tors. eta vs tors. theta energy: 14.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1385.779099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.779099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.779099 (E_RNA) where: Base-Base interactions energy: -920.510 where: short stacking energy: -419.164 Base-Backbone interact. energy: -1.104 local terms energy: -464.165079 where: bonds (distance) C4'-P energy: -85.075 bonds (distance) P-C4' energy: -83.785 flat angles C4'-P-C4' energy: -91.576 flat angles P-C4'-P energy: -69.510 tors. eta vs tors. theta energy: -134.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1241.619956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.619956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.619956 (E_RNA) where: Base-Base interactions energy: -803.835 where: short stacking energy: -385.170 Base-Backbone interact. energy: -0.693 local terms energy: -437.092002 where: bonds (distance) C4'-P energy: -82.750 bonds (distance) P-C4' energy: -76.054 flat angles C4'-P-C4' energy: -95.220 flat angles P-C4'-P energy: -64.717 tors. eta vs tors. theta energy: -118.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1218.114522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.114522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.114522 (E_RNA) where: Base-Base interactions energy: -820.891 where: short stacking energy: -375.151 Base-Backbone interact. energy: 0.106 local terms energy: -397.328764 where: bonds (distance) C4'-P energy: -67.942 bonds (distance) P-C4' energy: -72.870 flat angles C4'-P-C4' energy: -83.010 flat angles P-C4'-P energy: -60.828 tors. eta vs tors. theta energy: -112.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1079.439171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.439171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.439171 (E_RNA) where: Base-Base interactions energy: -694.989 where: short stacking energy: -329.975 Base-Backbone interact. energy: -2.286 local terms energy: -382.163523 where: bonds (distance) C4'-P energy: -85.661 bonds (distance) P-C4' energy: -77.154 flat angles C4'-P-C4' energy: -76.004 flat angles P-C4'-P energy: -52.887 tors. eta vs tors. theta energy: -90.458 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: 5, replica: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -910.251097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.251097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.251097 (E_RNA) where: Base-Base interactions energy: -581.947 where: short stacking energy: -263.944 Base-Backbone interact. energy: -1.553 local terms energy: -326.750231 where: bonds (distance) C4'-P energy: -82.253 bonds (distance) P-C4' energy: -64.904 flat angles C4'-P-C4' energy: -65.532 flat angles P-C4'-P energy: -47.991 tors. eta vs tors. theta energy: -66.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -843.578577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.578577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.578577 (E_RNA) where: Base-Base interactions energy: -547.280 where: short stacking energy: -257.656 Base-Backbone interact. energy: 2.090 local terms energy: -298.388607 where: bonds (distance) C4'-P energy: -74.435 bonds (distance) P-C4' energy: -68.986 flat angles C4'-P-C4' energy: -60.536 flat angles P-C4'-P energy: -28.454 tors. eta vs tors. theta energy: -65.978 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: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -645.476189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.476189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.476189 (E_RNA) where: Base-Base interactions energy: -358.162 where: short stacking energy: -182.756 Base-Backbone interact. energy: -0.127 local terms energy: -287.187692 where: bonds (distance) C4'-P energy: -74.047 bonds (distance) P-C4' energy: -71.657 flat angles C4'-P-C4' energy: -73.342 flat angles P-C4'-P energy: -40.330 tors. eta vs tors. theta energy: -27.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -556.796047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.796047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.796047 (E_RNA) where: Base-Base interactions energy: -298.679 where: short stacking energy: -168.417 Base-Backbone interact. energy: 4.459 local terms energy: -262.575361 where: bonds (distance) C4'-P energy: -69.380 bonds (distance) P-C4' energy: -71.462 flat angles C4'-P-C4' energy: -65.955 flat angles P-C4'-P energy: -38.138 tors. eta vs tors. theta energy: -17.640 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: 131 Temperature: 1.300000 Total energy: -507.146602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.146602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.146602 (E_RNA) where: Base-Base interactions energy: -256.961 where: short stacking energy: -138.415 Base-Backbone interact. energy: -1.818 local terms energy: -248.367992 where: bonds (distance) C4'-P energy: -63.850 bonds (distance) P-C4' energy: -69.423 flat angles C4'-P-C4' energy: -66.183 flat angles P-C4'-P energy: -36.926 tors. eta vs tors. theta energy: -11.986 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: 10, replica: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -344.910494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.910494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.910494 (E_RNA) where: Base-Base interactions energy: -141.274 where: short stacking energy: -101.261 Base-Backbone interact. energy: -0.562 local terms energy: -203.073803 where: bonds (distance) C4'-P energy: -60.366 bonds (distance) P-C4' energy: -64.435 flat angles C4'-P-C4' energy: -65.869 flat angles P-C4'-P energy: -31.374 tors. eta vs tors. theta energy: 18.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1370.908109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.908109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.908109 (E_RNA) where: Base-Base interactions energy: -932.609 where: short stacking energy: -431.326 Base-Backbone interact. energy: -2.135 local terms energy: -436.163660 where: bonds (distance) C4'-P energy: -76.244 bonds (distance) P-C4' energy: -78.421 flat angles C4'-P-C4' energy: -89.591 flat angles P-C4'-P energy: -62.985 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: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1261.117642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.117642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.117642 (E_RNA) where: Base-Base interactions energy: -841.755 where: short stacking energy: -392.567 Base-Backbone interact. energy: 1.554 local terms energy: -420.917066 where: bonds (distance) C4'-P energy: -73.842 bonds (distance) P-C4' energy: -75.689 flat angles C4'-P-C4' energy: -91.211 flat angles P-C4'-P energy: -64.600 tors. eta vs tors. theta energy: -115.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1225.286554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.286554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.286554 (E_RNA) where: Base-Base interactions energy: -805.032 where: short stacking energy: -342.421 Base-Backbone interact. energy: -1.801 local terms energy: -418.453644 where: bonds (distance) C4'-P energy: -77.900 bonds (distance) P-C4' energy: -83.268 flat angles C4'-P-C4' energy: -84.565 flat angles P-C4'-P energy: -68.084 tors. eta vs tors. theta energy: -104.637 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: 2 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1088.043415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.043415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.043415 (E_RNA) where: Base-Base interactions energy: -695.178 where: short stacking energy: -338.302 Base-Backbone interact. energy: -1.738 local terms energy: -391.127895 where: bonds (distance) C4'-P energy: -69.934 bonds (distance) P-C4' energy: -73.682 flat angles C4'-P-C4' energy: -93.388 flat angles P-C4'-P energy: -47.989 tors. eta vs tors. theta energy: -106.134 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: 132 Temperature: 1.100000 Total energy: -883.831301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.831301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.831301 (E_RNA) where: Base-Base interactions energy: -550.204 where: short stacking energy: -270.228 Base-Backbone interact. energy: -1.605 local terms energy: -332.021466 where: bonds (distance) C4'-P energy: -65.638 bonds (distance) P-C4' energy: -81.751 flat angles C4'-P-C4' energy: -82.257 flat angles P-C4'-P energy: -51.352 tors. eta vs tors. theta energy: -51.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -868.858720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.858720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.858720 (E_RNA) where: Base-Base interactions energy: -552.232 where: short stacking energy: -270.966 Base-Backbone interact. energy: 1.243 local terms energy: -317.869348 where: bonds (distance) C4'-P energy: -67.370 bonds (distance) P-C4' energy: -54.906 flat angles C4'-P-C4' energy: -66.488 flat angles P-C4'-P energy: -52.239 tors. eta vs tors. theta energy: -76.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -712.574590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.574590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.574590 (E_RNA) where: Base-Base interactions energy: -446.414 where: short stacking energy: -230.578 Base-Backbone interact. energy: 2.310 local terms energy: -268.471231 where: bonds (distance) C4'-P energy: -55.755 bonds (distance) P-C4' energy: -66.980 flat angles C4'-P-C4' energy: -68.147 flat angles P-C4'-P energy: -38.206 tors. eta vs tors. theta energy: -39.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -552.470728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.470728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.470728 (E_RNA) where: Base-Base interactions energy: -292.135 where: short stacking energy: -167.186 Base-Backbone interact. energy: -1.796 local terms energy: -258.539580 where: bonds (distance) C4'-P energy: -63.306 bonds (distance) P-C4' energy: -64.824 flat angles C4'-P-C4' energy: -75.163 flat angles P-C4'-P energy: -33.906 tors. eta vs tors. theta energy: -21.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -481.712502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.712502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.712502 (E_RNA) where: Base-Base interactions energy: -223.067 where: short stacking energy: -146.426 Base-Backbone interact. energy: 0.085 local terms energy: -258.729818 where: bonds (distance) C4'-P energy: -68.481 bonds (distance) P-C4' energy: -68.836 flat angles C4'-P-C4' energy: -62.529 flat angles P-C4'-P energy: -46.260 tors. eta vs tors. theta energy: -12.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -344.356682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.356682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.356682 (E_RNA) where: Base-Base interactions energy: -123.389 where: short stacking energy: -102.235 Base-Backbone interact. energy: -2.420 local terms energy: -218.547519 where: bonds (distance) C4'-P energy: -66.036 bonds (distance) P-C4' energy: -55.810 flat angles C4'-P-C4' energy: -57.356 flat angles P-C4'-P energy: -36.558 tors. eta vs tors. theta energy: -2.787 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: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1383.364615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.364615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.364615 (E_RNA) where: Base-Base interactions energy: -935.943 where: short stacking energy: -429.304 Base-Backbone interact. energy: -0.863 local terms energy: -446.557817 where: bonds (distance) C4'-P energy: -74.290 bonds (distance) P-C4' energy: -85.585 flat angles C4'-P-C4' energy: -93.878 flat angles P-C4'-P energy: -67.268 tors. eta vs tors. theta energy: -125.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1262.870135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.870135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.870135 (E_RNA) where: Base-Base interactions energy: -826.843 where: short stacking energy: -392.106 Base-Backbone interact. energy: -1.155 local terms energy: -434.872191 where: bonds (distance) C4'-P energy: -74.909 bonds (distance) P-C4' energy: -83.008 flat angles C4'-P-C4' energy: -94.428 flat angles P-C4'-P energy: -59.259 tors. eta vs tors. theta energy: -123.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1213.778016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.778016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.778016 (E_RNA) where: Base-Base interactions energy: -820.937 where: short stacking energy: -347.524 Base-Backbone interact. energy: -2.349 local terms energy: -390.491603 where: bonds (distance) C4'-P energy: -72.485 bonds (distance) P-C4' energy: -72.432 flat angles C4'-P-C4' energy: -84.486 flat angles P-C4'-P energy: -57.392 tors. eta vs tors. theta energy: -103.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1069.685346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.685346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.685346 (E_RNA) where: Base-Base interactions energy: -691.569 where: short stacking energy: -315.419 Base-Backbone interact. energy: 0.546 local terms energy: -378.662260 where: bonds (distance) C4'-P energy: -76.035 bonds (distance) P-C4' energy: -86.042 flat angles C4'-P-C4' energy: -75.585 flat angles P-C4'-P energy: -51.442 tors. eta vs tors. theta energy: -89.557 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: 5, replica: 1 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -899.164126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.164126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.164126 (E_RNA) where: Base-Base interactions energy: -552.739 where: short stacking energy: -265.881 Base-Backbone interact. energy: -0.424 local terms energy: -346.000835 where: bonds (distance) C4'-P energy: -65.006 bonds (distance) P-C4' energy: -67.344 flat angles C4'-P-C4' energy: -82.511 flat angles P-C4'-P energy: -57.540 tors. eta vs tors. theta energy: -73.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -882.503773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.503773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.503773 (E_RNA) where: Base-Base interactions energy: -569.969 where: short stacking energy: -289.822 Base-Backbone interact. energy: -1.168 local terms energy: -311.367639 where: bonds (distance) C4'-P energy: -62.344 bonds (distance) P-C4' energy: -58.154 flat angles C4'-P-C4' energy: -68.693 flat angles P-C4'-P energy: -44.907 tors. eta vs tors. theta energy: -77.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -735.182539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.182539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.182539 (E_RNA) where: Base-Base interactions energy: -467.811 where: short stacking energy: -217.721 Base-Backbone interact. energy: -0.056 local terms energy: -267.315343 where: bonds (distance) C4'-P energy: -58.660 bonds (distance) P-C4' energy: -62.080 flat angles C4'-P-C4' energy: -72.821 flat angles P-C4'-P energy: -33.888 tors. eta vs tors. theta energy: -39.866 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: 5 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -556.577971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.577971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.577971 (E_RNA) where: Base-Base interactions energy: -304.991 where: short stacking energy: -167.365 Base-Backbone interact. energy: -2.346 local terms energy: -249.241596 where: bonds (distance) C4'-P energy: -65.321 bonds (distance) P-C4' energy: -80.084 flat angles C4'-P-C4' energy: -59.015 flat angles P-C4'-P energy: -29.403 tors. eta vs tors. theta energy: -15.420 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: 9, replica: 3 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -504.959573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.959573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.959573 (E_RNA) where: Base-Base interactions energy: -267.189 where: short stacking energy: -151.765 Base-Backbone interact. energy: -1.373 local terms energy: -236.397159 where: bonds (distance) C4'-P energy: -54.148 bonds (distance) P-C4' energy: -61.919 flat angles C4'-P-C4' energy: -67.065 flat angles P-C4'-P energy: -33.197 tors. eta vs tors. theta energy: -20.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -333.119091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.119091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.119091 (E_RNA) where: Base-Base interactions energy: -111.694 where: short stacking energy: -89.389 Base-Backbone interact. energy: 0.950 local terms energy: -222.375349 where: bonds (distance) C4'-P energy: -78.055 bonds (distance) P-C4' energy: -57.178 flat angles C4'-P-C4' energy: -71.744 flat angles P-C4'-P energy: -29.739 tors. eta vs tors. theta energy: 14.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1358.281559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.281559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.281559 (E_RNA) where: Base-Base interactions energy: -911.259 where: short stacking energy: -419.258 Base-Backbone interact. energy: -0.434 local terms energy: -446.589246 where: bonds (distance) C4'-P energy: -78.419 bonds (distance) P-C4' energy: -86.089 flat angles C4'-P-C4' energy: -88.593 flat angles P-C4'-P energy: -66.013 tors. eta vs tors. theta energy: -127.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1249.726071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.726071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.726071 (E_RNA) where: Base-Base interactions energy: -847.803 where: short stacking energy: -393.989 Base-Backbone interact. energy: -2.079 local terms energy: -399.844458 where: bonds (distance) C4'-P energy: -72.438 bonds (distance) P-C4' energy: -76.730 flat angles C4'-P-C4' energy: -73.822 flat angles P-C4'-P energy: -60.751 tors. eta vs tors. theta energy: -116.104 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: 7 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1252.589572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.589572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.589572 (E_RNA) where: Base-Base interactions energy: -847.486 where: short stacking energy: -369.981 Base-Backbone interact. energy: 1.039 local terms energy: -406.142705 where: bonds (distance) C4'-P energy: -61.450 bonds (distance) P-C4' energy: -79.294 flat angles C4'-P-C4' energy: -96.185 flat angles P-C4'-P energy: -58.118 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: 4, replica: 2 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1053.309432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.309432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.309432 (E_RNA) where: Base-Base interactions energy: -679.217 where: short stacking energy: -317.325 Base-Backbone interact. energy: 1.314 local terms energy: -375.405882 where: bonds (distance) C4'-P energy: -61.018 bonds (distance) P-C4' energy: -69.948 flat angles C4'-P-C4' energy: -89.977 flat angles P-C4'-P energy: -61.539 tors. eta vs tors. theta energy: -92.924 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: 1 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -940.729143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.729143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.729143 (E_RNA) where: Base-Base interactions energy: -599.642 where: short stacking energy: -274.797 Base-Backbone interact. energy: 0.210 local terms energy: -341.296943 where: bonds (distance) C4'-P energy: -69.337 bonds (distance) P-C4' energy: -80.315 flat angles C4'-P-C4' energy: -79.514 flat angles P-C4'-P energy: -43.290 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: 6, replica: 4 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -833.637545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.637545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.637545 (E_RNA) where: Base-Base interactions energy: -527.915 where: short stacking energy: -274.584 Base-Backbone interact. energy: -1.539 local terms energy: -304.184143 where: bonds (distance) C4'-P energy: -70.728 bonds (distance) P-C4' energy: -49.793 flat angles C4'-P-C4' energy: -65.986 flat angles P-C4'-P energy: -55.524 tors. eta vs tors. theta energy: -62.153 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: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -751.416655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.416655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.416655 (E_RNA) where: Base-Base interactions energy: -458.172 where: short stacking energy: -230.418 Base-Backbone interact. energy: -1.154 local terms energy: -292.091191 where: bonds (distance) C4'-P energy: -68.560 bonds (distance) P-C4' energy: -61.213 flat angles C4'-P-C4' energy: -69.086 flat angles P-C4'-P energy: -41.854 tors. eta vs tors. theta energy: -51.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -567.509140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.509140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.509140 (E_RNA) where: Base-Base interactions energy: -309.075 where: short stacking energy: -150.774 Base-Backbone interact. energy: -1.036 local terms energy: -257.397477 where: bonds (distance) C4'-P energy: -68.026 bonds (distance) P-C4' energy: -74.091 flat angles C4'-P-C4' energy: -50.341 flat angles P-C4'-P energy: -47.412 tors. eta vs tors. theta energy: -17.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -475.478502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.478502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.478502 (E_RNA) where: Base-Base interactions energy: -244.447 where: short stacking energy: -138.676 Base-Backbone interact. energy: -0.156 local terms energy: -230.875915 where: bonds (distance) C4'-P energy: -54.533 bonds (distance) P-C4' energy: -72.408 flat angles C4'-P-C4' energy: -79.272 flat angles P-C4'-P energy: -31.681 tors. eta vs tors. theta energy: 7.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -345.865601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.865601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.865601 (E_RNA) where: Base-Base interactions energy: -118.700 where: short stacking energy: -75.801 Base-Backbone interact. energy: -1.097 local terms energy: -226.067951 where: bonds (distance) C4'-P energy: -52.136 bonds (distance) P-C4' energy: -79.258 flat angles C4'-P-C4' energy: -57.113 flat angles P-C4'-P energy: -49.368 tors. eta vs tors. theta energy: 11.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1378.872235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.872235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.872235 (E_RNA) where: Base-Base interactions energy: -922.244 where: short stacking energy: -419.254 Base-Backbone interact. energy: -0.190 local terms energy: -456.438834 where: bonds (distance) C4'-P energy: -87.149 bonds (distance) P-C4' energy: -82.953 flat angles C4'-P-C4' energy: -95.908 flat angles P-C4'-P energy: -61.294 tors. eta vs tors. theta energy: -129.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1272.891421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.891421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.891421 (E_RNA) where: Base-Base interactions energy: -846.033 where: short stacking energy: -388.668 Base-Backbone interact. energy: -0.265 local terms energy: -426.593384 where: bonds (distance) C4'-P energy: -74.645 bonds (distance) P-C4' energy: -83.938 flat angles C4'-P-C4' energy: -93.843 flat angles P-C4'-P energy: -59.868 tors. eta vs tors. theta energy: -114.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1205.586738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.586738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.586738 (E_RNA) where: Base-Base interactions energy: -789.324 where: short stacking energy: -367.316 Base-Backbone interact. energy: -1.533 local terms energy: -414.730418 where: bonds (distance) C4'-P energy: -74.246 bonds (distance) P-C4' energy: -82.736 flat angles C4'-P-C4' energy: -84.065 flat angles P-C4'-P energy: -61.664 tors. eta vs tors. theta energy: -112.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1062.179022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.179022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.179022 (E_RNA) where: Base-Base interactions energy: -699.315 where: short stacking energy: -312.648 Base-Backbone interact. energy: -1.187 local terms energy: -361.677108 where: bonds (distance) C4'-P energy: -73.023 bonds (distance) P-C4' energy: -80.721 flat angles C4'-P-C4' energy: -74.368 flat angles P-C4'-P energy: -54.619 tors. eta vs tors. theta energy: -78.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -943.138841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.138841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.138841 (E_RNA) where: Base-Base interactions energy: -604.482 where: short stacking energy: -293.923 Base-Backbone interact. energy: 0.000 local terms energy: -338.657621 where: bonds (distance) C4'-P energy: -70.854 bonds (distance) P-C4' energy: -72.717 flat angles C4'-P-C4' energy: -71.545 flat angles P-C4'-P energy: -57.183 tors. eta vs tors. theta energy: -66.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -842.878278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.878278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.878278 (E_RNA) where: Base-Base interactions energy: -520.664 where: short stacking energy: -253.884 Base-Backbone interact. energy: 2.380 local terms energy: -324.594575 where: bonds (distance) C4'-P energy: -66.823 bonds (distance) P-C4' energy: -77.023 flat angles C4'-P-C4' energy: -69.787 flat angles P-C4'-P energy: -49.468 tors. eta vs tors. theta energy: -61.493 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: 4 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -797.860619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.860619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.860619 (E_RNA) where: Base-Base interactions energy: -511.183 where: short stacking energy: -217.284 Base-Backbone interact. energy: -0.525 local terms energy: -286.153116 where: bonds (distance) C4'-P energy: -59.235 bonds (distance) P-C4' energy: -56.742 flat angles C4'-P-C4' energy: -72.861 flat angles P-C4'-P energy: -32.699 tors. eta vs tors. theta energy: -64.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -552.462262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.462262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.462262 (E_RNA) where: Base-Base interactions energy: -288.634 where: short stacking energy: -163.214 Base-Backbone interact. energy: -1.391 local terms energy: -262.437600 where: bonds (distance) C4'-P energy: -62.691 bonds (distance) P-C4' energy: -61.632 flat angles C4'-P-C4' energy: -72.092 flat angles P-C4'-P energy: -43.006 tors. eta vs tors. theta energy: -23.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -503.260554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.260554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.260554 (E_RNA) where: Base-Base interactions energy: -270.038 where: short stacking energy: -151.217 Base-Backbone interact. energy: 0.876 local terms energy: -234.098377 where: bonds (distance) C4'-P energy: -52.010 bonds (distance) P-C4' energy: -67.418 flat angles C4'-P-C4' energy: -70.765 flat angles P-C4'-P energy: -24.116 tors. eta vs tors. theta energy: -19.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -313.000139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.000139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.000139 (E_RNA) where: Base-Base interactions energy: -101.582 where: short stacking energy: -88.483 Base-Backbone interact. energy: -0.428 local terms energy: -210.990052 where: bonds (distance) C4'-P energy: -77.156 bonds (distance) P-C4' energy: -71.154 flat angles C4'-P-C4' energy: -40.021 flat angles P-C4'-P energy: -32.444 tors. eta vs tors. theta energy: 9.784 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: 10 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1376.954184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.954184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.954184 (E_RNA) where: Base-Base interactions energy: -931.421 where: short stacking energy: -433.785 Base-Backbone interact. energy: -0.162 local terms energy: -445.371362 where: bonds (distance) C4'-P energy: -81.511 bonds (distance) P-C4' energy: -84.927 flat angles C4'-P-C4' energy: -93.086 flat angles P-C4'-P energy: -54.190 tors. eta vs tors. theta energy: -131.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1256.374641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.374641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.374641 (E_RNA) where: Base-Base interactions energy: -829.169 where: short stacking energy: -389.327 Base-Backbone interact. energy: -0.759 local terms energy: -426.447330 where: bonds (distance) C4'-P energy: -82.942 bonds (distance) P-C4' energy: -74.797 flat angles C4'-P-C4' energy: -89.809 flat angles P-C4'-P energy: -62.430 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: 3, replica: 9 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1194.578327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.578327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.578327 (E_RNA) where: Base-Base interactions energy: -802.318 where: short stacking energy: -354.034 Base-Backbone interact. energy: 0.100 local terms energy: -392.359737 where: bonds (distance) C4'-P energy: -74.144 bonds (distance) P-C4' energy: -79.025 flat angles C4'-P-C4' energy: -81.416 flat angles P-C4'-P energy: -53.954 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: 4, replica: 2 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1066.017622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.017622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.017622 (E_RNA) where: Base-Base interactions energy: -704.964 where: short stacking energy: -311.112 Base-Backbone interact. energy: -3.331 local terms energy: -357.721684 where: bonds (distance) C4'-P energy: -63.082 bonds (distance) P-C4' energy: -70.980 flat angles C4'-P-C4' energy: -81.844 flat angles P-C4'-P energy: -59.423 tors. eta vs tors. theta energy: -82.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -922.738281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.738281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.738281 (E_RNA) where: Base-Base interactions energy: -571.566 where: short stacking energy: -312.351 Base-Backbone interact. energy: 0.802 local terms energy: -351.975187 where: bonds (distance) C4'-P energy: -67.905 bonds (distance) P-C4' energy: -67.956 flat angles C4'-P-C4' energy: -75.466 flat angles P-C4'-P energy: -55.132 tors. eta vs tors. theta energy: -85.516 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: 136 Temperature: 1.150000 Total energy: -832.098046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.098046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.098046 (E_RNA) where: Base-Base interactions energy: -524.030 where: short stacking energy: -227.539 Base-Backbone interact. energy: -0.975 local terms energy: -307.093315 where: bonds (distance) C4'-P energy: -66.582 bonds (distance) P-C4' energy: -67.331 flat angles C4'-P-C4' energy: -77.042 flat angles P-C4'-P energy: -47.060 tors. eta vs tors. theta energy: -49.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -764.697870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.697870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.697870 (E_RNA) where: Base-Base interactions energy: -485.143 where: short stacking energy: -218.678 Base-Backbone interact. energy: -0.673 local terms energy: -278.881299 where: bonds (distance) C4'-P energy: -77.439 bonds (distance) P-C4' energy: -60.287 flat angles C4'-P-C4' energy: -52.588 flat angles P-C4'-P energy: -40.831 tors. eta vs tors. theta energy: -47.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -608.957856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.957856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.957856 (E_RNA) where: Base-Base interactions energy: -324.374 where: short stacking energy: -193.072 Base-Backbone interact. energy: 0.337 local terms energy: -284.920435 where: bonds (distance) C4'-P energy: -71.367 bonds (distance) P-C4' energy: -68.290 flat angles C4'-P-C4' energy: -64.311 flat angles P-C4'-P energy: -39.980 tors. eta vs tors. theta energy: -40.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -559.216840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.216840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.216840 (E_RNA) where: Base-Base interactions energy: -302.674 where: short stacking energy: -163.264 Base-Backbone interact. energy: -0.356 local terms energy: -256.186673 where: bonds (distance) C4'-P energy: -77.732 bonds (distance) P-C4' energy: -60.263 flat angles C4'-P-C4' energy: -70.073 flat angles P-C4'-P energy: -39.651 tors. eta vs tors. theta energy: -8.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -325.023304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.023304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.023304 (E_RNA) where: Base-Base interactions energy: -127.973 where: short stacking energy: -113.695 Base-Backbone interact. energy: -0.583 local terms energy: -196.467132 where: bonds (distance) C4'-P energy: -71.851 bonds (distance) P-C4' energy: -51.749 flat angles C4'-P-C4' energy: -63.652 flat angles P-C4'-P energy: -28.542 tors. eta vs tors. theta energy: 19.327 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: 10 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1367.473773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.473773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.473773 (E_RNA) where: Base-Base interactions energy: -929.927 where: short stacking energy: -426.177 Base-Backbone interact. energy: -0.828 local terms energy: -436.718931 where: bonds (distance) C4'-P energy: -71.955 bonds (distance) P-C4' energy: -87.696 flat angles C4'-P-C4' energy: -92.203 flat angles P-C4'-P energy: -58.189 tors. eta vs tors. theta energy: -126.676 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: 137 Temperature: 0.950000 Total energy: -1245.664401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.664401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.664401 (E_RNA) where: Base-Base interactions energy: -822.572 where: short stacking energy: -379.794 Base-Backbone interact. energy: -0.498 local terms energy: -422.593986 where: bonds (distance) C4'-P energy: -72.262 bonds (distance) P-C4' energy: -86.318 flat angles C4'-P-C4' energy: -95.697 flat angles P-C4'-P energy: -55.147 tors. eta vs tors. theta energy: -113.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1200.293765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.293765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.293765 (E_RNA) where: Base-Base interactions energy: -808.278 where: short stacking energy: -359.262 Base-Backbone interact. energy: -0.036 local terms energy: -391.979644 where: bonds (distance) C4'-P energy: -65.539 bonds (distance) P-C4' energy: -82.515 flat angles C4'-P-C4' energy: -80.481 flat angles P-C4'-P energy: -49.279 tors. eta vs tors. theta energy: -114.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1050.254448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.254448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.254448 (E_RNA) where: Base-Base interactions energy: -686.438 where: short stacking energy: -315.389 Base-Backbone interact. energy: -0.589 local terms energy: -363.227955 where: bonds (distance) C4'-P energy: -70.715 bonds (distance) P-C4' energy: -78.857 flat angles C4'-P-C4' energy: -70.441 flat angles P-C4'-P energy: -57.250 tors. eta vs tors. theta energy: -85.965 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: 1 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -933.493365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.493365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.493365 (E_RNA) where: Base-Base interactions energy: -571.171 where: short stacking energy: -290.442 Base-Backbone interact. energy: -2.993 local terms energy: -359.329127 where: bonds (distance) C4'-P energy: -74.326 bonds (distance) P-C4' energy: -78.821 flat angles C4'-P-C4' energy: -83.558 flat angles P-C4'-P energy: -54.479 tors. eta vs tors. theta energy: -68.146 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: 6 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -896.257462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.257462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.257462 (E_RNA) where: Base-Base interactions energy: -565.612 where: short stacking energy: -284.958 Base-Backbone interact. energy: -1.204 local terms energy: -329.441138 where: bonds (distance) C4'-P energy: -66.458 bonds (distance) P-C4' energy: -70.259 flat angles C4'-P-C4' energy: -80.352 flat angles P-C4'-P energy: -48.940 tors. eta vs tors. theta energy: -63.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -763.673563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.673563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.673563 (E_RNA) where: Base-Base interactions energy: -457.000 where: short stacking energy: -239.761 Base-Backbone interact. energy: 1.444 local terms energy: -308.117995 where: bonds (distance) C4'-P energy: -67.546 bonds (distance) P-C4' energy: -67.973 flat angles C4'-P-C4' energy: -80.098 flat angles P-C4'-P energy: -35.789 tors. eta vs tors. theta energy: -56.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -649.409467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.409467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.409467 (E_RNA) where: Base-Base interactions energy: -349.831 where: short stacking energy: -198.614 Base-Backbone interact. energy: -0.955 local terms energy: -298.623074 where: bonds (distance) C4'-P energy: -69.459 bonds (distance) P-C4' energy: -66.665 flat angles C4'-P-C4' energy: -73.719 flat angles P-C4'-P energy: -43.147 tors. eta vs tors. theta energy: -45.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -524.704822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.704822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.704822 (E_RNA) where: Base-Base interactions energy: -258.458 where: short stacking energy: -141.784 Base-Backbone interact. energy: 0.532 local terms energy: -266.779278 where: bonds (distance) C4'-P energy: -61.207 bonds (distance) P-C4' energy: -71.686 flat angles C4'-P-C4' energy: -66.510 flat angles P-C4'-P energy: -40.425 tors. eta vs tors. theta energy: -26.951 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: 137 Temperature: 1.350000 Total energy: -303.035969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.035969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.035969 (E_RNA) where: Base-Base interactions energy: -110.990 where: short stacking energy: -86.771 Base-Backbone interact. energy: 3.576 local terms energy: -195.622085 where: bonds (distance) C4'-P energy: -73.733 bonds (distance) P-C4' energy: -64.216 flat angles C4'-P-C4' energy: -43.785 flat angles P-C4'-P energy: -26.587 tors. eta vs tors. theta energy: 12.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1352.767082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.767082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.767082 (E_RNA) where: Base-Base interactions energy: -906.832 where: short stacking energy: -412.065 Base-Backbone interact. energy: -1.331 local terms energy: -444.604127 where: bonds (distance) C4'-P energy: -83.674 bonds (distance) P-C4' energy: -73.840 flat angles C4'-P-C4' energy: -96.871 flat angles P-C4'-P energy: -63.309 tors. eta vs tors. theta energy: -126.910 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: 138 Temperature: 0.950000 Total energy: -1269.886350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.886350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.886350 (E_RNA) where: Base-Base interactions energy: -864.647 where: short stacking energy: -419.864 Base-Backbone interact. energy: 0.860 local terms energy: -406.099779 where: bonds (distance) C4'-P energy: -60.259 bonds (distance) P-C4' energy: -80.051 flat angles C4'-P-C4' energy: -89.982 flat angles P-C4'-P energy: -60.257 tors. eta vs tors. theta energy: -115.550 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: 3, replica: 7 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1208.290808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.290808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.290808 (E_RNA) where: Base-Base interactions energy: -840.491 where: short stacking energy: -349.687 Base-Backbone interact. energy: -1.439 local terms energy: -366.360138 where: bonds (distance) C4'-P energy: -62.778 bonds (distance) P-C4' energy: -78.436 flat angles C4'-P-C4' energy: -91.124 flat angles P-C4'-P energy: -41.063 tors. eta vs tors. theta energy: -92.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1074.876197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.876197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.876197 (E_RNA) where: Base-Base interactions energy: -700.183 where: short stacking energy: -333.245 Base-Backbone interact. energy: -0.628 local terms energy: -374.064709 where: bonds (distance) C4'-P energy: -59.571 bonds (distance) P-C4' energy: -80.345 flat angles C4'-P-C4' energy: -81.338 flat angles P-C4'-P energy: -57.069 tors. eta vs tors. theta energy: -95.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -884.648945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.648945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.648945 (E_RNA) where: Base-Base interactions energy: -546.675 where: short stacking energy: -263.898 Base-Backbone interact. energy: 4.449 local terms energy: -342.423694 where: bonds (distance) C4'-P energy: -70.859 bonds (distance) P-C4' energy: -81.568 flat angles C4'-P-C4' energy: -72.395 flat angles P-C4'-P energy: -53.896 tors. eta vs tors. theta energy: -63.706 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: 6 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -811.458363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.458363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.458363 (E_RNA) where: Base-Base interactions energy: -506.513 where: short stacking energy: -248.094 Base-Backbone interact. energy: 4.675 local terms energy: -309.620651 where: bonds (distance) C4'-P energy: -65.302 bonds (distance) P-C4' energy: -76.393 flat angles C4'-P-C4' energy: -78.222 flat angles P-C4'-P energy: -40.011 tors. eta vs tors. theta energy: -49.693 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: 4 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -806.749243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.749243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.749243 (E_RNA) where: Base-Base interactions energy: -500.875 where: short stacking energy: -234.605 Base-Backbone interact. energy: 1.924 local terms energy: -307.798119 where: bonds (distance) C4'-P energy: -68.362 bonds (distance) P-C4' energy: -71.793 flat angles C4'-P-C4' energy: -64.302 flat angles P-C4'-P energy: -44.105 tors. eta vs tors. theta energy: -59.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -584.083655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.083655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.083655 (E_RNA) where: Base-Base interactions energy: -316.524 where: short stacking energy: -166.675 Base-Backbone interact. energy: -1.313 local terms energy: -266.246934 where: bonds (distance) C4'-P energy: -50.028 bonds (distance) P-C4' energy: -64.446 flat angles C4'-P-C4' energy: -63.507 flat angles P-C4'-P energy: -50.902 tors. eta vs tors. theta energy: -37.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -492.248212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.248212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.248212 (E_RNA) where: Base-Base interactions energy: -255.308 where: short stacking energy: -161.158 Base-Backbone interact. energy: 1.666 local terms energy: -238.605348 where: bonds (distance) C4'-P energy: -54.449 bonds (distance) P-C4' energy: -66.654 flat angles C4'-P-C4' energy: -82.018 flat angles P-C4'-P energy: -15.482 tors. eta vs tors. theta energy: -20.002 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: 138 Temperature: 1.350000 Total energy: -322.280477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.280477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.280477 (E_RNA) where: Base-Base interactions energy: -124.524 where: short stacking energy: -106.129 Base-Backbone interact. energy: -0.613 local terms energy: -197.143273 where: bonds (distance) C4'-P energy: -56.533 bonds (distance) P-C4' energy: -60.201 flat angles C4'-P-C4' energy: -53.875 flat angles P-C4'-P energy: -27.792 tors. eta vs tors. theta energy: 1.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1363.174680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.174680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.174680 (E_RNA) where: Base-Base interactions energy: -919.551 where: short stacking energy: -431.284 Base-Backbone interact. energy: -0.801 local terms energy: -442.822101 where: bonds (distance) C4'-P energy: -83.665 bonds (distance) P-C4' energy: -85.203 flat angles C4'-P-C4' energy: -90.001 flat angles P-C4'-P energy: -56.575 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: 2, replica: 9 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1245.373996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.373996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.373996 (E_RNA) where: Base-Base interactions energy: -805.891 where: short stacking energy: -382.337 Base-Backbone interact. energy: -1.782 local terms energy: -437.701532 where: bonds (distance) C4'-P energy: -74.031 bonds (distance) P-C4' energy: -88.490 flat angles C4'-P-C4' energy: -98.913 flat angles P-C4'-P energy: -67.747 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: 3, replica: 7 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1183.668525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.668525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.668525 (E_RNA) where: Base-Base interactions energy: -816.104 where: short stacking energy: -350.545 Base-Backbone interact. energy: -2.125 local terms energy: -365.438982 where: bonds (distance) C4'-P energy: -72.871 bonds (distance) P-C4' energy: -66.903 flat angles C4'-P-C4' energy: -80.958 flat angles P-C4'-P energy: -48.796 tors. eta vs tors. theta energy: -95.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1090.762737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.762737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.762737 (E_RNA) where: Base-Base interactions energy: -709.181 where: short stacking energy: -329.163 Base-Backbone interact. energy: -0.564 local terms energy: -381.018299 where: bonds (distance) C4'-P energy: -79.862 bonds (distance) P-C4' energy: -74.686 flat angles C4'-P-C4' energy: -83.877 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: -95.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -903.333544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.333544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.333544 (E_RNA) where: Base-Base interactions energy: -557.820 where: short stacking energy: -280.208 Base-Backbone interact. energy: -0.777 local terms energy: -344.736198 where: bonds (distance) C4'-P energy: -78.656 bonds (distance) P-C4' energy: -85.004 flat angles C4'-P-C4' energy: -67.514 flat angles P-C4'-P energy: -57.746 tors. eta vs tors. theta energy: -55.817 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: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -847.370124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.370124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.370124 (E_RNA) where: Base-Base interactions energy: -555.723 where: short stacking energy: -255.556 Base-Backbone interact. energy: 1.860 local terms energy: -293.507088 where: bonds (distance) C4'-P energy: -43.397 bonds (distance) P-C4' energy: -80.771 flat angles C4'-P-C4' energy: -78.627 flat angles P-C4'-P energy: -34.037 tors. eta vs tors. theta energy: -56.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -768.911771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.911771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.911771 (E_RNA) where: Base-Base interactions energy: -471.457 where: short stacking energy: -217.716 Base-Backbone interact. energy: 3.213 local terms energy: -300.667056 where: bonds (distance) C4'-P energy: -64.735 bonds (distance) P-C4' energy: -82.188 flat angles C4'-P-C4' energy: -50.860 flat angles P-C4'-P energy: -55.511 tors. eta vs tors. theta energy: -47.373 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: 3 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -623.811817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.811817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.811817 (E_RNA) where: Base-Base interactions energy: -354.308 where: short stacking energy: -198.082 Base-Backbone interact. energy: 1.128 local terms energy: -270.631153 where: bonds (distance) C4'-P energy: -60.137 bonds (distance) P-C4' energy: -58.039 flat angles C4'-P-C4' energy: -74.926 flat angles P-C4'-P energy: -42.398 tors. eta vs tors. theta energy: -35.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -535.544527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.544527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.544527 (E_RNA) where: Base-Base interactions energy: -280.221 where: short stacking energy: -146.451 Base-Backbone interact. energy: 6.358 local terms energy: -261.681785 where: bonds (distance) C4'-P energy: -75.507 bonds (distance) P-C4' energy: -71.162 flat angles C4'-P-C4' energy: -52.043 flat angles P-C4'-P energy: -40.427 tors. eta vs tors. theta energy: -22.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -318.915678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.915678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.915678 (E_RNA) where: Base-Base interactions energy: -127.540 where: short stacking energy: -116.324 Base-Backbone interact. energy: -0.592 local terms energy: -190.784071 where: bonds (distance) C4'-P energy: -55.457 bonds (distance) P-C4' energy: -60.123 flat angles C4'-P-C4' energy: -56.414 flat angles P-C4'-P energy: -21.961 tors. eta vs tors. theta energy: 3.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1378.083820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.083820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.083820 (E_RNA) where: Base-Base interactions energy: -929.233 where: short stacking energy: -421.621 Base-Backbone interact. energy: -0.338 local terms energy: -448.513128 where: bonds (distance) C4'-P energy: -72.559 bonds (distance) P-C4' energy: -85.908 flat angles C4'-P-C4' energy: -97.023 flat angles P-C4'-P energy: -67.631 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: 2, replica: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1266.888058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.888058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.888058 (E_RNA) where: Base-Base interactions energy: -839.951 where: short stacking energy: -392.193 Base-Backbone interact. energy: -3.000 local terms energy: -423.937502 where: bonds (distance) C4'-P energy: -82.116 bonds (distance) P-C4' energy: -65.980 flat angles C4'-P-C4' energy: -90.517 flat angles P-C4'-P energy: -68.678 tors. eta vs tors. theta energy: -116.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1196.960663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.960663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.960663 (E_RNA) where: Base-Base interactions energy: -806.124 where: short stacking energy: -329.868 Base-Backbone interact. energy: -1.558 local terms energy: -389.278053 where: bonds (distance) C4'-P energy: -77.554 bonds (distance) P-C4' energy: -77.272 flat angles C4'-P-C4' energy: -87.370 flat angles P-C4'-P energy: -56.842 tors. eta vs tors. theta energy: -90.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1039.707181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.707181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.707181 (E_RNA) where: Base-Base interactions energy: -687.102 where: short stacking energy: -308.997 Base-Backbone interact. energy: 5.126 local terms energy: -357.731163 where: bonds (distance) C4'-P energy: -64.647 bonds (distance) P-C4' energy: -84.927 flat angles C4'-P-C4' energy: -81.495 flat angles P-C4'-P energy: -52.326 tors. eta vs tors. theta energy: -74.336 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: 1 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -912.491990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.491990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.491990 (E_RNA) where: Base-Base interactions energy: -555.534 where: short stacking energy: -277.501 Base-Backbone interact. energy: -0.743 local terms energy: -356.215301 where: bonds (distance) C4'-P energy: -71.362 bonds (distance) P-C4' energy: -82.007 flat angles C4'-P-C4' energy: -82.922 flat angles P-C4'-P energy: -46.562 tors. eta vs tors. theta energy: -73.362 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: 6 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -861.346420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.346420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.346420 (E_RNA) where: Base-Base interactions energy: -534.277 where: short stacking energy: -274.309 Base-Backbone interact. energy: 1.456 local terms energy: -328.525842 where: bonds (distance) C4'-P energy: -67.358 bonds (distance) P-C4' energy: -74.439 flat angles C4'-P-C4' energy: -75.241 flat angles P-C4'-P energy: -47.754 tors. eta vs tors. theta energy: -63.734 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: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -751.780294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.780294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.780294 (E_RNA) where: Base-Base interactions energy: -439.446 where: short stacking energy: -231.737 Base-Backbone interact. energy: 0.993 local terms energy: -313.326919 where: bonds (distance) C4'-P energy: -67.787 bonds (distance) P-C4' energy: -71.968 flat angles C4'-P-C4' energy: -77.042 flat angles P-C4'-P energy: -41.295 tors. eta vs tors. theta energy: -55.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -615.398135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.398135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.398135 (E_RNA) where: Base-Base interactions energy: -334.409 where: short stacking energy: -187.137 Base-Backbone interact. energy: -1.924 local terms energy: -279.064743 where: bonds (distance) C4'-P energy: -63.571 bonds (distance) P-C4' energy: -70.353 flat angles C4'-P-C4' energy: -65.500 flat angles P-C4'-P energy: -60.867 tors. eta vs tors. theta energy: -18.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -514.943279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.943279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.943279 (E_RNA) where: Base-Base interactions energy: -272.554 where: short stacking energy: -154.297 Base-Backbone interact. energy: 1.262 local terms energy: -243.651358 where: bonds (distance) C4'-P energy: -55.644 bonds (distance) P-C4' energy: -71.928 flat angles C4'-P-C4' energy: -70.218 flat angles P-C4'-P energy: -33.875 tors. eta vs tors. theta energy: -11.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -332.706026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.706026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.706026 (E_RNA) where: Base-Base interactions energy: -108.401 where: short stacking energy: -92.431 Base-Backbone interact. energy: -2.277 local terms energy: -222.028197 where: bonds (distance) C4'-P energy: -66.830 bonds (distance) P-C4' energy: -72.057 flat angles C4'-P-C4' energy: -42.399 flat angles P-C4'-P energy: -30.259 tors. eta vs tors. theta energy: -10.483 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: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1378.895942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.895942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.895942 (E_RNA) where: Base-Base interactions energy: -918.887 where: short stacking energy: -436.782 Base-Backbone interact. energy: 3.921 local terms energy: -463.930380 where: bonds (distance) C4'-P energy: -77.756 bonds (distance) P-C4' energy: -85.177 flat angles C4'-P-C4' energy: -96.941 flat angles P-C4'-P energy: -66.337 tors. eta vs tors. theta energy: -137.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1295.083592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.083592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.083592 (E_RNA) where: Base-Base interactions energy: -877.164 where: short stacking energy: -404.558 Base-Backbone interact. energy: -1.927 local terms energy: -415.992751 where: bonds (distance) C4'-P energy: -72.064 bonds (distance) P-C4' energy: -76.770 flat angles C4'-P-C4' energy: -92.867 flat angles P-C4'-P energy: -58.074 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: 3, replica: 7 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1204.837783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.837783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.837783 (E_RNA) where: Base-Base interactions energy: -818.613 where: short stacking energy: -355.166 Base-Backbone interact. energy: 2.127 local terms energy: -388.351813 where: bonds (distance) C4'-P energy: -64.499 bonds (distance) P-C4' energy: -75.590 flat angles C4'-P-C4' energy: -88.278 flat angles P-C4'-P energy: -59.275 tors. eta vs tors. theta energy: -100.710 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: 2 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1078.187626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.187626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.187626 (E_RNA) where: Base-Base interactions energy: -708.062 where: short stacking energy: -338.947 Base-Backbone interact. energy: -2.073 local terms energy: -368.051923 where: bonds (distance) C4'-P energy: -78.938 bonds (distance) P-C4' energy: -74.943 flat angles C4'-P-C4' energy: -75.635 flat angles P-C4'-P energy: -54.580 tors. eta vs tors. theta energy: -83.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -907.475862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.475862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.475862 (E_RNA) where: Base-Base interactions energy: -567.191 where: short stacking energy: -296.239 Base-Backbone interact. energy: 0.544 local terms energy: -340.828914 where: bonds (distance) C4'-P energy: -65.997 bonds (distance) P-C4' energy: -74.396 flat angles C4'-P-C4' energy: -79.925 flat angles P-C4'-P energy: -42.067 tors. eta vs tors. theta energy: -78.443 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: 6 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -818.870924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.870924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.870924 (E_RNA) where: Base-Base interactions energy: -512.648 where: short stacking energy: -231.200 Base-Backbone interact. energy: -1.824 local terms energy: -304.399000 where: bonds (distance) C4'-P energy: -60.646 bonds (distance) P-C4' energy: -74.085 flat angles C4'-P-C4' energy: -77.103 flat angles P-C4'-P energy: -41.929 tors. eta vs tors. theta energy: -50.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -718.647923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.647923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.647923 (E_RNA) where: Base-Base interactions energy: -417.422 where: short stacking energy: -213.149 Base-Backbone interact. energy: 0.413 local terms energy: -301.639116 where: bonds (distance) C4'-P energy: -61.293 bonds (distance) P-C4' energy: -66.572 flat angles C4'-P-C4' energy: -74.026 flat angles P-C4'-P energy: -46.782 tors. eta vs tors. theta energy: -52.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -594.339698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.339698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.339698 (E_RNA) where: Base-Base interactions energy: -349.557 where: short stacking energy: -205.474 Base-Backbone interact. energy: -0.449 local terms energy: -244.333477 where: bonds (distance) C4'-P energy: -56.855 bonds (distance) P-C4' energy: -61.134 flat angles C4'-P-C4' energy: -64.479 flat angles P-C4'-P energy: -38.071 tors. eta vs tors. theta energy: -23.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -513.781250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.781250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.781250 (E_RNA) where: Base-Base interactions energy: -252.671 where: short stacking energy: -144.811 Base-Backbone interact. energy: -0.863 local terms energy: -260.246705 where: bonds (distance) C4'-P energy: -73.483 bonds (distance) P-C4' energy: -81.253 flat angles C4'-P-C4' energy: -53.226 flat angles P-C4'-P energy: -32.652 tors. eta vs tors. theta energy: -19.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -330.062435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.062435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.062435 (E_RNA) where: Base-Base interactions energy: -114.588 where: short stacking energy: -97.165 Base-Backbone interact. energy: 0.750 local terms energy: -216.224628 where: bonds (distance) C4'-P energy: -61.661 bonds (distance) P-C4' energy: -69.623 flat angles C4'-P-C4' energy: -66.895 flat angles P-C4'-P energy: -20.436 tors. eta vs tors. theta energy: 2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1380.473634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.473634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.473634 (E_RNA) where: Base-Base interactions energy: -912.568 where: short stacking energy: -426.139 Base-Backbone interact. energy: -0.716 local terms energy: -467.189475 where: bonds (distance) C4'-P energy: -78.905 bonds (distance) P-C4' energy: -88.593 flat angles C4'-P-C4' energy: -92.642 flat angles P-C4'-P energy: -68.073 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: 2, replica: 9 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1274.900135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.900135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.900135 (E_RNA) where: Base-Base interactions energy: -846.928 where: short stacking energy: -406.397 Base-Backbone interact. energy: -0.856 local terms energy: -427.116596 where: bonds (distance) C4'-P energy: -76.425 bonds (distance) P-C4' energy: -73.646 flat angles C4'-P-C4' energy: -94.044 flat angles P-C4'-P energy: -62.573 tors. eta vs tors. theta energy: -120.428 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: 3, replica: 7 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1249.060188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.060188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.060188 (E_RNA) where: Base-Base interactions energy: -833.559 where: short stacking energy: -362.032 Base-Backbone interact. energy: -2.205 local terms energy: -413.295918 where: bonds (distance) C4'-P energy: -83.257 bonds (distance) P-C4' energy: -81.752 flat angles C4'-P-C4' energy: -86.349 flat angles P-C4'-P energy: -58.393 tors. eta vs tors. theta energy: -103.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1081.471900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.471900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.471900 (E_RNA) where: Base-Base interactions energy: -708.954 where: short stacking energy: -309.500 Base-Backbone interact. energy: -2.741 local terms energy: -369.777111 where: bonds (distance) C4'-P energy: -75.488 bonds (distance) P-C4' energy: -72.331 flat angles C4'-P-C4' energy: -80.945 flat angles P-C4'-P energy: -56.600 tors. eta vs tors. theta energy: -84.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -926.200811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.200811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.200811 (E_RNA) where: Base-Base interactions energy: -579.399 where: short stacking energy: -295.364 Base-Backbone interact. energy: 0.805 local terms energy: -347.607608 where: bonds (distance) C4'-P energy: -78.231 bonds (distance) P-C4' energy: -70.320 flat angles C4'-P-C4' energy: -78.148 flat angles P-C4'-P energy: -51.051 tors. eta vs tors. theta energy: -69.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -898.874623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.874623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.874623 (E_RNA) where: Base-Base interactions energy: -560.950 where: short stacking energy: -278.742 Base-Backbone interact. energy: -3.000 local terms energy: -334.924127 where: bonds (distance) C4'-P energy: -68.205 bonds (distance) P-C4' energy: -76.681 flat angles C4'-P-C4' energy: -70.919 flat angles P-C4'-P energy: -55.533 tors. eta vs tors. theta energy: -63.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -753.886394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.886394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.886394 (E_RNA) where: Base-Base interactions energy: -444.801 where: short stacking energy: -232.928 Base-Backbone interact. energy: -0.288 local terms energy: -308.796940 where: bonds (distance) C4'-P energy: -70.577 bonds (distance) P-C4' energy: -74.542 flat angles C4'-P-C4' energy: -76.169 flat angles P-C4'-P energy: -47.066 tors. eta vs tors. theta energy: -40.443 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: 3 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -614.496977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.496977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.496977 (E_RNA) where: Base-Base interactions energy: -329.231 where: short stacking energy: -179.021 Base-Backbone interact. energy: -0.896 local terms energy: -284.370022 where: bonds (distance) C4'-P energy: -66.215 bonds (distance) P-C4' energy: -66.327 flat angles C4'-P-C4' energy: -75.157 flat angles P-C4'-P energy: -50.309 tors. eta vs tors. theta energy: -26.363 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: 5 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -528.379065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.379065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.379065 (E_RNA) where: Base-Base interactions energy: -294.214 where: short stacking energy: -147.694 Base-Backbone interact. energy: -1.090 local terms energy: -233.075296 where: bonds (distance) C4'-P energy: -73.832 bonds (distance) P-C4' energy: -61.466 flat angles C4'-P-C4' energy: -51.008 flat angles P-C4'-P energy: -28.625 tors. eta vs tors. theta energy: -18.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -334.009301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.009301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.009301 (E_RNA) where: Base-Base interactions energy: -123.411 where: short stacking energy: -97.422 Base-Backbone interact. energy: -1.206 local terms energy: -209.391951 where: bonds (distance) C4'-P energy: -55.817 bonds (distance) P-C4' energy: -65.495 flat angles C4'-P-C4' energy: -56.647 flat angles P-C4'-P energy: -44.577 tors. eta vs tors. theta energy: 13.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1362.018276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.018276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.018276 (E_RNA) where: Base-Base interactions energy: -934.622 where: short stacking energy: -429.689 Base-Backbone interact. energy: -0.546 local terms energy: -426.850576 where: bonds (distance) C4'-P energy: -70.840 bonds (distance) P-C4' energy: -76.897 flat angles C4'-P-C4' energy: -94.706 flat angles P-C4'-P energy: -54.597 tors. eta vs tors. theta energy: -129.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1263.634407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.634407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.634407 (E_RNA) where: Base-Base interactions energy: -826.746 where: short stacking energy: -395.031 Base-Backbone interact. energy: 1.903 local terms energy: -438.791768 where: bonds (distance) C4'-P energy: -88.492 bonds (distance) P-C4' energy: -80.682 flat angles C4'-P-C4' energy: -81.071 flat angles P-C4'-P energy: -69.349 tors. eta vs tors. theta energy: -119.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1245.805722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.805722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.805722 (E_RNA) where: Base-Base interactions energy: -841.473 where: short stacking energy: -378.395 Base-Backbone interact. energy: -2.787 local terms energy: -401.545227 where: bonds (distance) C4'-P energy: -80.180 bonds (distance) P-C4' energy: -76.901 flat angles C4'-P-C4' energy: -81.549 flat angles P-C4'-P energy: -51.733 tors. eta vs tors. theta energy: -111.182 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: 143 Temperature: 1.050000 Total energy: -1074.535694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.535694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.535694 (E_RNA) where: Base-Base interactions energy: -685.869 where: short stacking energy: -332.396 Base-Backbone interact. energy: 1.165 local terms energy: -389.832276 where: bonds (distance) C4'-P energy: -76.956 bonds (distance) P-C4' energy: -82.863 flat angles C4'-P-C4' energy: -86.016 flat angles P-C4'-P energy: -53.748 tors. eta vs tors. theta energy: -90.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -973.250874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.250874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.250874 (E_RNA) where: Base-Base interactions energy: -639.023 where: short stacking energy: -282.937 Base-Backbone interact. energy: -0.715 local terms energy: -333.512167 where: bonds (distance) C4'-P energy: -60.484 bonds (distance) P-C4' energy: -65.555 flat angles C4'-P-C4' energy: -71.689 flat angles P-C4'-P energy: -52.895 tors. eta vs tors. theta energy: -82.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -899.030211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.030211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.030211 (E_RNA) where: Base-Base interactions energy: -570.297 where: short stacking energy: -277.209 Base-Backbone interact. energy: 0.778 local terms energy: -329.511084 where: bonds (distance) C4'-P energy: -73.885 bonds (distance) P-C4' energy: -66.441 flat angles C4'-P-C4' energy: -77.049 flat angles P-C4'-P energy: -45.872 tors. eta vs tors. theta energy: -66.264 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: 4 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -758.901386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.901386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.901386 (E_RNA) where: Base-Base interactions energy: -454.836 where: short stacking energy: -220.058 Base-Backbone interact. energy: -1.130 local terms energy: -302.935441 where: bonds (distance) C4'-P energy: -75.947 bonds (distance) P-C4' energy: -69.166 flat angles C4'-P-C4' energy: -60.531 flat angles P-C4'-P energy: -40.312 tors. eta vs tors. theta energy: -56.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -588.656244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.656244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.656244 (E_RNA) where: Base-Base interactions energy: -320.535 where: short stacking energy: -180.764 Base-Backbone interact. energy: 0.200 local terms energy: -268.321475 where: bonds (distance) C4'-P energy: -66.147 bonds (distance) P-C4' energy: -57.799 flat angles C4'-P-C4' energy: -73.671 flat angles P-C4'-P energy: -45.511 tors. eta vs tors. theta energy: -25.193 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: 9, replica: 5 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -554.106508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.106508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.106508 (E_RNA) where: Base-Base interactions energy: -311.682 where: short stacking energy: -146.898 Base-Backbone interact. energy: -1.167 local terms energy: -241.257151 where: bonds (distance) C4'-P energy: -57.242 bonds (distance) P-C4' energy: -64.779 flat angles C4'-P-C4' energy: -66.593 flat angles P-C4'-P energy: -36.157 tors. eta vs tors. theta energy: -16.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -358.518718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.518718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.518718 (E_RNA) where: Base-Base interactions energy: -146.900 where: short stacking energy: -106.157 Base-Backbone interact. energy: -0.572 local terms energy: -211.047072 where: bonds (distance) C4'-P energy: -65.376 bonds (distance) P-C4' energy: -67.431 flat angles C4'-P-C4' energy: -51.071 flat angles P-C4'-P energy: -36.660 tors. eta vs tors. theta energy: 9.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1350.732565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.732565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.732565 (E_RNA) where: Base-Base interactions energy: -923.914 where: short stacking energy: -407.703 Base-Backbone interact. energy: -0.764 local terms energy: -426.054240 where: bonds (distance) C4'-P energy: -74.632 bonds (distance) P-C4' energy: -82.043 flat angles C4'-P-C4' energy: -87.305 flat angles P-C4'-P energy: -60.573 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: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1281.086932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.086932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.086932 (E_RNA) where: Base-Base interactions energy: -838.066 where: short stacking energy: -415.746 Base-Backbone interact. energy: -2.132 local terms energy: -440.888425 where: bonds (distance) C4'-P energy: -86.462 bonds (distance) P-C4' energy: -77.906 flat angles C4'-P-C4' energy: -88.196 flat angles P-C4'-P energy: -62.135 tors. eta vs tors. theta energy: -126.189 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: 7 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1266.042458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.042458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.042458 (E_RNA) where: Base-Base interactions energy: -851.926 where: short stacking energy: -382.389 Base-Backbone interact. energy: -2.286 local terms energy: -411.830427 where: bonds (distance) C4'-P energy: -80.777 bonds (distance) P-C4' energy: -73.053 flat angles C4'-P-C4' energy: -90.743 flat angles P-C4'-P energy: -54.244 tors. eta vs tors. theta energy: -113.013 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: 2 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1065.694633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.694633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.694633 (E_RNA) where: Base-Base interactions energy: -663.029 where: short stacking energy: -324.907 Base-Backbone interact. energy: -1.250 local terms energy: -401.415905 where: bonds (distance) C4'-P energy: -75.141 bonds (distance) P-C4' energy: -74.185 flat angles C4'-P-C4' energy: -82.811 flat angles P-C4'-P energy: -66.939 tors. eta vs tors. theta energy: -102.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -997.680478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.680478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.680478 (E_RNA) where: Base-Base interactions energy: -664.084 where: short stacking energy: -293.471 Base-Backbone interact. energy: -1.607 local terms energy: -331.988742 where: bonds (distance) C4'-P energy: -75.942 bonds (distance) P-C4' energy: -57.518 flat angles C4'-P-C4' energy: -83.582 flat angles P-C4'-P energy: -39.486 tors. eta vs tors. theta energy: -75.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -896.315586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.315586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.315586 (E_RNA) where: Base-Base interactions energy: -564.035 where: short stacking energy: -262.424 Base-Backbone interact. energy: -0.104 local terms energy: -332.176327 where: bonds (distance) C4'-P energy: -69.009 bonds (distance) P-C4' energy: -71.360 flat angles C4'-P-C4' energy: -79.835 flat angles P-C4'-P energy: -43.977 tors. eta vs tors. theta energy: -67.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -717.304749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.304749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.304749 (E_RNA) where: Base-Base interactions energy: -410.615 where: short stacking energy: -218.913 Base-Backbone interact. energy: -1.412 local terms energy: -305.278352 where: bonds (distance) C4'-P energy: -63.648 bonds (distance) P-C4' energy: -61.886 flat angles C4'-P-C4' energy: -76.719 flat angles P-C4'-P energy: -56.340 tors. eta vs tors. theta energy: -46.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -604.049108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.049108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.049108 (E_RNA) where: Base-Base interactions energy: -327.546 where: short stacking energy: -187.893 Base-Backbone interact. energy: -0.868 local terms energy: -275.634182 where: bonds (distance) C4'-P energy: -77.961 bonds (distance) P-C4' energy: -69.942 flat angles C4'-P-C4' energy: -62.782 flat angles P-C4'-P energy: -33.868 tors. eta vs tors. theta energy: -31.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -534.806072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.806072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.806072 (E_RNA) where: Base-Base interactions energy: -278.168 where: short stacking energy: -162.396 Base-Backbone interact. energy: 1.920 local terms energy: -258.558648 where: bonds (distance) C4'-P energy: -58.665 bonds (distance) P-C4' energy: -76.258 flat angles C4'-P-C4' energy: -63.782 flat angles P-C4'-P energy: -35.239 tors. eta vs tors. theta energy: -24.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -343.025581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.025581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.025581 (E_RNA) where: Base-Base interactions energy: -113.557 where: short stacking energy: -85.598 Base-Backbone interact. energy: -0.903 local terms energy: -228.566083 where: bonds (distance) C4'-P energy: -79.834 bonds (distance) P-C4' energy: -66.823 flat angles C4'-P-C4' energy: -46.865 flat angles P-C4'-P energy: -38.166 tors. eta vs tors. theta energy: 3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1364.323415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.323415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.323415 (E_RNA) where: Base-Base interactions energy: -941.433 where: short stacking energy: -413.901 Base-Backbone interact. energy: -1.184 local terms energy: -421.706683 where: bonds (distance) C4'-P energy: -80.854 bonds (distance) P-C4' energy: -73.239 flat angles C4'-P-C4' energy: -86.888 flat angles P-C4'-P energy: -58.834 tors. eta vs tors. theta energy: -121.892 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: 7 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1321.343912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.343912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.343912 (E_RNA) where: Base-Base interactions energy: -898.324 where: short stacking energy: -381.843 Base-Backbone interact. energy: -0.771 local terms energy: -422.248411 where: bonds (distance) C4'-P energy: -91.171 bonds (distance) P-C4' energy: -72.769 flat angles C4'-P-C4' energy: -83.250 flat angles P-C4'-P energy: -56.587 tors. eta vs tors. theta energy: -118.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1251.156560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.156560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.156560 (E_RNA) where: Base-Base interactions energy: -817.204 where: short stacking energy: -388.490 Base-Backbone interact. energy: -1.260 local terms energy: -432.692756 where: bonds (distance) C4'-P energy: -81.519 bonds (distance) P-C4' energy: -84.237 flat angles C4'-P-C4' energy: -91.141 flat angles P-C4'-P energy: -63.427 tors. eta vs tors. theta energy: -112.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1083.595204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.595204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.595204 (E_RNA) where: Base-Base interactions energy: -703.585 where: short stacking energy: -335.711 Base-Backbone interact. energy: -0.138 local terms energy: -379.872152 where: bonds (distance) C4'-P energy: -76.299 bonds (distance) P-C4' energy: -76.381 flat angles C4'-P-C4' energy: -79.341 flat angles P-C4'-P energy: -49.082 tors. eta vs tors. theta energy: -98.770 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: 145 Temperature: 1.100000 Total energy: -932.612171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.612171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.612171 (E_RNA) where: Base-Base interactions energy: -583.938 where: short stacking energy: -279.133 Base-Backbone interact. energy: 0.424 local terms energy: -349.097481 where: bonds (distance) C4'-P energy: -76.331 bonds (distance) P-C4' energy: -69.069 flat angles C4'-P-C4' energy: -87.409 flat angles P-C4'-P energy: -55.609 tors. eta vs tors. theta energy: -60.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -909.596948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.596948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.596948 (E_RNA) where: Base-Base interactions energy: -556.852 where: short stacking energy: -269.650 Base-Backbone interact. energy: -1.948 local terms energy: -350.797078 where: bonds (distance) C4'-P energy: -74.675 bonds (distance) P-C4' energy: -72.350 flat angles C4'-P-C4' energy: -79.343 flat angles P-C4'-P energy: -58.913 tors. eta vs tors. theta energy: -65.516 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: 7, replica: 4 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -690.519047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.519047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.519047 (E_RNA) where: Base-Base interactions energy: -398.476 where: short stacking energy: -219.806 Base-Backbone interact. energy: -1.602 local terms energy: -290.440926 where: bonds (distance) C4'-P energy: -68.248 bonds (distance) P-C4' energy: -68.919 flat angles C4'-P-C4' energy: -67.092 flat angles P-C4'-P energy: -44.735 tors. eta vs tors. theta energy: -41.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -567.132627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.132627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.132627 (E_RNA) where: Base-Base interactions energy: -298.086 where: short stacking energy: -166.239 Base-Backbone interact. energy: -0.676 local terms energy: -268.370595 where: bonds (distance) C4'-P energy: -63.229 bonds (distance) P-C4' energy: -74.968 flat angles C4'-P-C4' energy: -59.383 flat angles P-C4'-P energy: -46.240 tors. eta vs tors. theta energy: -24.551 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: 5 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -538.217983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.217983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.217983 (E_RNA) where: Base-Base interactions energy: -287.720 where: short stacking energy: -169.667 Base-Backbone interact. energy: 0.889 local terms energy: -251.386988 where: bonds (distance) C4'-P energy: -68.059 bonds (distance) P-C4' energy: -69.576 flat angles C4'-P-C4' energy: -56.527 flat angles P-C4'-P energy: -29.403 tors. eta vs tors. theta energy: -27.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -317.386490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.386490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.386490 (E_RNA) where: Base-Base interactions energy: -109.235 where: short stacking energy: -88.828 Base-Backbone interact. energy: 5.032 local terms energy: -213.183128 where: bonds (distance) C4'-P energy: -66.205 bonds (distance) P-C4' energy: -75.615 flat angles C4'-P-C4' energy: -44.498 flat angles P-C4'-P energy: -34.841 tors. eta vs tors. theta energy: 7.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1377.527182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.527182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.527182 (E_RNA) where: Base-Base interactions energy: -946.729 where: short stacking energy: -414.700 Base-Backbone interact. energy: -0.522 local terms energy: -430.276737 where: bonds (distance) C4'-P energy: -74.714 bonds (distance) P-C4' energy: -80.589 flat angles C4'-P-C4' energy: -97.025 flat angles P-C4'-P energy: -50.693 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: 2, replica: 7 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1296.857621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.857621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.857621 (E_RNA) where: Base-Base interactions energy: -878.848 where: short stacking energy: -375.799 Base-Backbone interact. energy: -1.639 local terms energy: -416.369873 where: bonds (distance) C4'-P energy: -77.952 bonds (distance) P-C4' energy: -87.301 flat angles C4'-P-C4' energy: -85.329 flat angles P-C4'-P energy: -56.287 tors. eta vs tors. theta energy: -109.501 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: 9 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1212.999138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.999138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.999138 (E_RNA) where: Base-Base interactions energy: -808.157 where: short stacking energy: -391.661 Base-Backbone interact. energy: -1.572 local terms energy: -403.270298 where: bonds (distance) C4'-P energy: -67.319 bonds (distance) P-C4' energy: -82.405 flat angles C4'-P-C4' energy: -82.252 flat angles P-C4'-P energy: -56.357 tors. eta vs tors. theta energy: -114.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1051.185543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.185543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.185543 (E_RNA) where: Base-Base interactions energy: -711.908 where: short stacking energy: -312.735 Base-Backbone interact. energy: -1.815 local terms energy: -337.462974 where: bonds (distance) C4'-P energy: -77.833 bonds (distance) P-C4' energy: -72.656 flat angles C4'-P-C4' energy: -65.217 flat angles P-C4'-P energy: -44.099 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: 5, replica: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -872.463030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.463030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.463030 (E_RNA) where: Base-Base interactions energy: -545.228 where: short stacking energy: -280.608 Base-Backbone interact. energy: -1.471 local terms energy: -325.763926 where: bonds (distance) C4'-P energy: -74.285 bonds (distance) P-C4' energy: -71.676 flat angles C4'-P-C4' energy: -67.234 flat angles P-C4'-P energy: -47.874 tors. eta vs tors. theta energy: -64.695 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: 146 Temperature: 1.150000 Total energy: -877.263035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.263035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.263035 (E_RNA) where: Base-Base interactions energy: -567.191 where: short stacking energy: -264.585 Base-Backbone interact. energy: -1.188 local terms energy: -308.884402 where: bonds (distance) C4'-P energy: -66.810 bonds (distance) P-C4' energy: -62.771 flat angles C4'-P-C4' energy: -53.063 flat angles P-C4'-P energy: -58.037 tors. eta vs tors. theta energy: -68.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -698.419403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.419403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.419403 (E_RNA) where: Base-Base interactions energy: -385.287 where: short stacking energy: -220.840 Base-Backbone interact. energy: -1.737 local terms energy: -311.396055 where: bonds (distance) C4'-P energy: -78.830 bonds (distance) P-C4' energy: -68.209 flat angles C4'-P-C4' energy: -65.149 flat angles P-C4'-P energy: -42.818 tors. eta vs tors. theta energy: -56.391 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: 3 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -596.700991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.700991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.700991 (E_RNA) where: Base-Base interactions energy: -328.109 where: short stacking energy: -185.231 Base-Backbone interact. energy: 3.074 local terms energy: -271.665434 where: bonds (distance) C4'-P energy: -71.486 bonds (distance) P-C4' energy: -66.117 flat angles C4'-P-C4' energy: -63.178 flat angles P-C4'-P energy: -34.626 tors. eta vs tors. theta energy: -36.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -511.868304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.868304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.868304 (E_RNA) where: Base-Base interactions energy: -265.100 where: short stacking energy: -155.304 Base-Backbone interact. energy: 1.081 local terms energy: -247.848909 where: bonds (distance) C4'-P energy: -78.233 bonds (distance) P-C4' energy: -68.022 flat angles C4'-P-C4' energy: -49.081 flat angles P-C4'-P energy: -42.348 tors. eta vs tors. theta energy: -10.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -320.487910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.487910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.487910 (E_RNA) where: Base-Base interactions energy: -133.863 where: short stacking energy: -99.601 Base-Backbone interact. energy: 0.014 local terms energy: -186.638710 where: bonds (distance) C4'-P energy: -58.803 bonds (distance) P-C4' energy: -60.212 flat angles C4'-P-C4' energy: -53.407 flat angles P-C4'-P energy: -27.899 tors. eta vs tors. theta energy: 13.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1358.644636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.644636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.644636 (E_RNA) where: Base-Base interactions energy: -927.413 where: short stacking energy: -407.572 Base-Backbone interact. energy: -1.446 local terms energy: -429.786238 where: bonds (distance) C4'-P energy: -78.949 bonds (distance) P-C4' energy: -81.462 flat angles C4'-P-C4' energy: -89.912 flat angles P-C4'-P energy: -60.252 tors. eta vs tors. theta energy: -119.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1297.126653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.126653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.126653 (E_RNA) where: Base-Base interactions energy: -885.197 where: short stacking energy: -377.366 Base-Backbone interact. energy: -3.160 local terms energy: -408.769309 where: bonds (distance) C4'-P energy: -73.571 bonds (distance) P-C4' energy: -79.401 flat angles C4'-P-C4' energy: -86.308 flat angles P-C4'-P energy: -51.851 tors. eta vs tors. theta energy: -117.637 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: 9 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1231.824784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.824784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.824784 (E_RNA) where: Base-Base interactions energy: -812.796 where: short stacking energy: -394.845 Base-Backbone interact. energy: -0.343 local terms energy: -418.686038 where: bonds (distance) C4'-P energy: -65.500 bonds (distance) P-C4' energy: -82.474 flat angles C4'-P-C4' energy: -90.478 flat angles P-C4'-P energy: -61.415 tors. eta vs tors. theta energy: -118.818 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: 4, replica: 2 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1038.060666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.060666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.060666 (E_RNA) where: Base-Base interactions energy: -679.994 where: short stacking energy: -338.634 Base-Backbone interact. energy: 2.396 local terms energy: -360.462978 where: bonds (distance) C4'-P energy: -65.112 bonds (distance) P-C4' energy: -76.504 flat angles C4'-P-C4' energy: -78.389 flat angles P-C4'-P energy: -50.192 tors. eta vs tors. theta energy: -90.265 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: 5, replica: 6 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -887.369409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.369409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.369409 (E_RNA) where: Base-Base interactions energy: -566.250 where: short stacking energy: -260.567 Base-Backbone interact. energy: -1.538 local terms energy: -319.580789 where: bonds (distance) C4'-P energy: -63.952 bonds (distance) P-C4' energy: -66.532 flat angles C4'-P-C4' energy: -78.571 flat angles P-C4'-P energy: -47.172 tors. eta vs tors. theta energy: -63.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -879.118171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.118171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.118171 (E_RNA) where: Base-Base interactions energy: -578.313 where: short stacking energy: -263.297 Base-Backbone interact. energy: -2.565 local terms energy: -298.241008 where: bonds (distance) C4'-P energy: -69.820 bonds (distance) P-C4' energy: -63.314 flat angles C4'-P-C4' energy: -58.928 flat angles P-C4'-P energy: -45.840 tors. eta vs tors. theta energy: -60.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -637.430696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.430696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.430696 (E_RNA) where: Base-Base interactions energy: -349.625 where: short stacking energy: -199.445 Base-Backbone interact. energy: -2.072 local terms energy: -285.733714 where: bonds (distance) C4'-P energy: -60.855 bonds (distance) P-C4' energy: -72.783 flat angles C4'-P-C4' energy: -69.113 flat angles P-C4'-P energy: -39.558 tors. eta vs tors. theta energy: -43.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -588.662156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.662156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.662156 (E_RNA) where: Base-Base interactions energy: -321.733 where: short stacking energy: -176.584 Base-Backbone interact. energy: -0.680 local terms energy: -266.249294 where: bonds (distance) C4'-P energy: -73.028 bonds (distance) P-C4' energy: -63.061 flat angles C4'-P-C4' energy: -70.499 flat angles P-C4'-P energy: -40.816 tors. eta vs tors. theta energy: -18.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -534.511273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.511273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.511273 (E_RNA) where: Base-Base interactions energy: -284.293 where: short stacking energy: -169.209 Base-Backbone interact. energy: 0.372 local terms energy: -250.590273 where: bonds (distance) C4'-P energy: -63.858 bonds (distance) P-C4' energy: -62.181 flat angles C4'-P-C4' energy: -63.348 flat angles P-C4'-P energy: -34.678 tors. eta vs tors. theta energy: -26.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -320.282529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.282529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.282529 (E_RNA) where: Base-Base interactions energy: -98.408 where: short stacking energy: -94.792 Base-Backbone interact. energy: 3.598 local terms energy: -225.472825 where: bonds (distance) C4'-P energy: -57.273 bonds (distance) P-C4' energy: -75.865 flat angles C4'-P-C4' energy: -52.724 flat angles P-C4'-P energy: -40.730 tors. eta vs tors. theta energy: 1.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1349.236872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.236872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.236872 (E_RNA) where: Base-Base interactions energy: -891.672 where: short stacking energy: -410.283 Base-Backbone interact. energy: 0.631 local terms energy: -458.195936 where: bonds (distance) C4'-P energy: -85.153 bonds (distance) P-C4' energy: -86.673 flat angles C4'-P-C4' energy: -93.100 flat angles P-C4'-P energy: -63.705 tors. eta vs tors. theta energy: -129.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1255.151861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.151861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.151861 (E_RNA) where: Base-Base interactions energy: -867.733 where: short stacking energy: -369.828 Base-Backbone interact. energy: 0.435 local terms energy: -387.854070 where: bonds (distance) C4'-P energy: -75.056 bonds (distance) P-C4' energy: -76.040 flat angles C4'-P-C4' energy: -90.588 flat angles P-C4'-P energy: -48.445 tors. eta vs tors. theta energy: -97.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1242.251827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.251827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.251827 (E_RNA) where: Base-Base interactions energy: -837.216 where: short stacking energy: -399.322 Base-Backbone interact. energy: -0.904 local terms energy: -404.130986 where: bonds (distance) C4'-P energy: -62.694 bonds (distance) P-C4' energy: -80.063 flat angles C4'-P-C4' energy: -85.320 flat angles P-C4'-P energy: -58.279 tors. eta vs tors. theta energy: -117.775 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: 2 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1058.552798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.552798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.552798 (E_RNA) where: Base-Base interactions energy: -677.220 where: short stacking energy: -308.409 Base-Backbone interact. energy: -1.062 local terms energy: -380.270344 where: bonds (distance) C4'-P energy: -81.597 bonds (distance) P-C4' energy: -70.920 flat angles C4'-P-C4' energy: -85.427 flat angles P-C4'-P energy: -48.224 tors. eta vs tors. theta energy: -94.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -907.727641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.727641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.727641 (E_RNA) where: Base-Base interactions energy: -578.819 where: short stacking energy: -293.157 Base-Backbone interact. energy: -0.214 local terms energy: -328.694609 where: bonds (distance) C4'-P energy: -71.988 bonds (distance) P-C4' energy: -61.022 flat angles C4'-P-C4' energy: -77.668 flat angles P-C4'-P energy: -43.685 tors. eta vs tors. theta energy: -74.332 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: 1 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -881.765857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.765857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.765857 (E_RNA) where: Base-Base interactions energy: -567.572 where: short stacking energy: -266.603 Base-Backbone interact. energy: -1.634 local terms energy: -312.559519 where: bonds (distance) C4'-P energy: -68.675 bonds (distance) P-C4' energy: -69.643 flat angles C4'-P-C4' energy: -74.859 flat angles P-C4'-P energy: -48.008 tors. eta vs tors. theta energy: -51.375 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: 148 Temperature: 1.200000 Total energy: -642.086551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.086551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.086551 (E_RNA) where: Base-Base interactions energy: -352.136 where: short stacking energy: -202.887 Base-Backbone interact. energy: 0.623 local terms energy: -290.573733 where: bonds (distance) C4'-P energy: -66.212 bonds (distance) P-C4' energy: -68.890 flat angles C4'-P-C4' energy: -65.684 flat angles P-C4'-P energy: -53.559 tors. eta vs tors. theta energy: -36.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -606.074056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.074056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.074056 (E_RNA) where: Base-Base interactions energy: -339.776 where: short stacking energy: -187.158 Base-Backbone interact. energy: -1.032 local terms energy: -265.266132 where: bonds (distance) C4'-P energy: -74.311 bonds (distance) P-C4' energy: -78.518 flat angles C4'-P-C4' energy: -66.046 flat angles P-C4'-P energy: -18.152 tors. eta vs tors. theta energy: -28.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -540.287710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.287710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.287710 (E_RNA) where: Base-Base interactions energy: -268.946 where: short stacking energy: -174.303 Base-Backbone interact. energy: 0.471 local terms energy: -271.813146 where: bonds (distance) C4'-P energy: -72.315 bonds (distance) P-C4' energy: -75.524 flat angles C4'-P-C4' energy: -59.549 flat angles P-C4'-P energy: -43.961 tors. eta vs tors. theta energy: -20.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -324.451563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.451563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.451563 (E_RNA) where: Base-Base interactions energy: -101.484 where: short stacking energy: -95.549 Base-Backbone interact. energy: -1.555 local terms energy: -221.412641 where: bonds (distance) C4'-P energy: -60.964 bonds (distance) P-C4' energy: -68.585 flat angles C4'-P-C4' energy: -48.257 flat angles P-C4'-P energy: -38.049 tors. eta vs tors. theta energy: -5.558 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: 10 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1374.659260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.659260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.659260 (E_RNA) where: Base-Base interactions energy: -922.679 where: short stacking energy: -423.950 Base-Backbone interact. energy: 1.305 local terms energy: -453.285017 where: bonds (distance) C4'-P energy: -84.612 bonds (distance) P-C4' energy: -80.360 flat angles C4'-P-C4' energy: -96.618 flat angles P-C4'-P energy: -64.637 tors. eta vs tors. theta energy: -127.058 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: 149 Temperature: 0.950000 Total energy: -1245.418808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.418808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.418808 (E_RNA) where: Base-Base interactions energy: -840.637 where: short stacking energy: -386.682 Base-Backbone interact. energy: -0.188 local terms energy: -404.594025 where: bonds (distance) C4'-P energy: -77.416 bonds (distance) P-C4' energy: -73.705 flat angles C4'-P-C4' energy: -82.412 flat angles P-C4'-P energy: -52.427 tors. eta vs tors. theta energy: -118.634 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: 7 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1222.675226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.675226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.675226 (E_RNA) where: Base-Base interactions energy: -818.848 where: short stacking energy: -363.999 Base-Backbone interact. energy: -2.232 local terms energy: -401.595672 where: bonds (distance) C4'-P energy: -73.483 bonds (distance) P-C4' energy: -83.173 flat angles C4'-P-C4' energy: -81.546 flat angles P-C4'-P energy: -56.989 tors. eta vs tors. theta energy: -106.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1052.333166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.333166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.333166 (E_RNA) where: Base-Base interactions energy: -699.530 where: short stacking energy: -326.493 Base-Backbone interact. energy: -1.098 local terms energy: -351.704940 where: bonds (distance) C4'-P energy: -59.344 bonds (distance) P-C4' energy: -72.417 flat angles C4'-P-C4' energy: -77.622 flat angles P-C4'-P energy: -49.242 tors. eta vs tors. theta energy: -93.080 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: 5, replica: 6 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -909.976273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.976273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.976273 (E_RNA) where: Base-Base interactions energy: -572.098 where: short stacking energy: -286.501 Base-Backbone interact. energy: -0.322 local terms energy: -337.556280 where: bonds (distance) C4'-P energy: -64.658 bonds (distance) P-C4' energy: -80.117 flat angles C4'-P-C4' energy: -83.372 flat angles P-C4'-P energy: -49.534 tors. eta vs tors. theta energy: -59.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -897.460067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.460067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.460067 (E_RNA) where: Base-Base interactions energy: -572.418 where: short stacking energy: -267.776 Base-Backbone interact. energy: -1.201 local terms energy: -323.841666 where: bonds (distance) C4'-P energy: -58.222 bonds (distance) P-C4' energy: -73.221 flat angles C4'-P-C4' energy: -80.678 flat angles P-C4'-P energy: -54.246 tors. eta vs tors. theta energy: -57.474 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: 149 Temperature: 1.200000 Total energy: -627.268548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.268548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.268548 (E_RNA) where: Base-Base interactions energy: -333.077 where: short stacking energy: -187.100 Base-Backbone interact. energy: -0.140 local terms energy: -294.050797 where: bonds (distance) C4'-P energy: -78.248 bonds (distance) P-C4' energy: -74.940 flat angles C4'-P-C4' energy: -53.448 flat angles P-C4'-P energy: -44.974 tors. eta vs tors. theta energy: -42.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -647.075856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.075856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.075856 (E_RNA) where: Base-Base interactions energy: -376.061 where: short stacking energy: -201.519 Base-Backbone interact. energy: -0.070 local terms energy: -270.944775 where: bonds (distance) C4'-P energy: -70.522 bonds (distance) P-C4' energy: -49.478 flat angles C4'-P-C4' energy: -62.958 flat angles P-C4'-P energy: -45.428 tors. eta vs tors. theta energy: -42.559 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: 5 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -532.908230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.908230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.908230 (E_RNA) where: Base-Base interactions energy: -284.364 where: short stacking energy: -134.065 Base-Backbone interact. energy: 0.913 local terms energy: -249.457243 where: bonds (distance) C4'-P energy: -65.772 bonds (distance) P-C4' energy: -71.549 flat angles C4'-P-C4' energy: -66.999 flat angles P-C4'-P energy: -32.848 tors. eta vs tors. theta energy: -12.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -320.902908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.902908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.902908 (E_RNA) where: Base-Base interactions energy: -129.412 where: short stacking energy: -111.942 Base-Backbone interact. energy: 1.195 local terms energy: -192.686192 where: bonds (distance) C4'-P energy: -66.801 bonds (distance) P-C4' energy: -69.926 flat angles C4'-P-C4' energy: -42.695 flat angles P-C4'-P energy: -28.563 tors. eta vs tors. theta energy: 15.298 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: 1, replica: 10 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1366.069510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.069510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.069510 (E_RNA) where: Base-Base interactions energy: -925.479 where: short stacking energy: -425.878 Base-Backbone interact. energy: 0.593 local terms energy: -441.183590 where: bonds (distance) C4'-P energy: -75.965 bonds (distance) P-C4' energy: -82.394 flat angles C4'-P-C4' energy: -90.766 flat angles P-C4'-P energy: -62.632 tors. eta vs tors. theta energy: -129.426 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: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1292.559825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.559825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.559825 (E_RNA) where: Base-Base interactions energy: -846.831 where: short stacking energy: -413.063 Base-Backbone interact. energy: -1.273 local terms energy: -444.455576 where: bonds (distance) C4'-P energy: -83.545 bonds (distance) P-C4' energy: -76.507 flat angles C4'-P-C4' energy: -90.130 flat angles P-C4'-P energy: -66.894 tors. eta vs tors. theta energy: -127.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1265.278202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.278202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.278202 (E_RNA) where: Base-Base interactions energy: -858.328 where: short stacking energy: -380.715 Base-Backbone interact. energy: -0.491 local terms energy: -406.458982 where: bonds (distance) C4'-P energy: -72.361 bonds (distance) P-C4' energy: -75.045 flat angles C4'-P-C4' energy: -97.829 flat angles P-C4'-P energy: -50.260 tors. eta vs tors. theta energy: -110.964 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: 2 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1028.465695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.465695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.465695 (E_RNA) where: Base-Base interactions energy: -664.729 where: short stacking energy: -317.081 Base-Backbone interact. energy: -0.255 local terms energy: -363.482309 where: bonds (distance) C4'-P energy: -72.060 bonds (distance) P-C4' energy: -82.466 flat angles C4'-P-C4' energy: -82.308 flat angles P-C4'-P energy: -45.800 tors. eta vs tors. theta energy: -80.848 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: 150 Temperature: 1.100000 Total energy: -927.782078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.782078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.782078 (E_RNA) where: Base-Base interactions energy: -601.726 where: short stacking energy: -271.622 Base-Backbone interact. energy: 3.355 local terms energy: -329.410644 where: bonds (distance) C4'-P energy: -61.725 bonds (distance) P-C4' energy: -70.874 flat angles C4'-P-C4' energy: -82.570 flat angles P-C4'-P energy: -51.481 tors. eta vs tors. theta energy: -62.760 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: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -861.353320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.353320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.353320 (E_RNA) where: Base-Base interactions energy: -545.791 where: short stacking energy: -253.355 Base-Backbone interact. energy: -1.923 local terms energy: -313.639241 where: bonds (distance) C4'-P energy: -70.349 bonds (distance) P-C4' energy: -75.084 flat angles C4'-P-C4' energy: -69.619 flat angles P-C4'-P energy: -39.030 tors. eta vs tors. theta energy: -59.558 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: 7, replica: 4 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -682.786501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.786501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.786501 (E_RNA) where: Base-Base interactions energy: -384.508 where: short stacking energy: -182.052 Base-Backbone interact. energy: -2.284 local terms energy: -295.994928 where: bonds (distance) C4'-P energy: -71.711 bonds (distance) P-C4' energy: -73.915 flat angles C4'-P-C4' energy: -62.181 flat angles P-C4'-P energy: -47.732 tors. eta vs tors. theta energy: -40.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -579.187157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.187157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.187157 (E_RNA) where: Base-Base interactions energy: -317.768 where: short stacking energy: -163.064 Base-Backbone interact. energy: -0.723 local terms energy: -260.696310 where: bonds (distance) C4'-P energy: -71.874 bonds (distance) P-C4' energy: -75.831 flat angles C4'-P-C4' energy: -54.412 flat angles P-C4'-P energy: -32.699 tors. eta vs tors. theta energy: -25.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -535.284415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.284415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.284415 (E_RNA) where: Base-Base interactions energy: -259.891 where: short stacking energy: -148.194 Base-Backbone interact. energy: 0.770 local terms energy: -276.163258 where: bonds (distance) C4'-P energy: -82.410 bonds (distance) P-C4' energy: -78.103 flat angles C4'-P-C4' energy: -66.621 flat angles P-C4'-P energy: -38.597 tors. eta vs tors. theta energy: -10.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -370.564804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.564804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.564804 (E_RNA) where: Base-Base interactions energy: -159.528 where: short stacking energy: -112.293 Base-Backbone interact. energy: -1.359 local terms energy: -209.677095 where: bonds (distance) C4'-P energy: -65.424 bonds (distance) P-C4' energy: -73.692 flat angles C4'-P-C4' energy: -54.275 flat angles P-C4'-P energy: -39.072 tors. eta vs tors. theta energy: 22.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1344.859755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.859755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.859755 (E_RNA) where: Base-Base interactions energy: -897.777 where: short stacking energy: -397.320 Base-Backbone interact. energy: -0.998 local terms energy: -446.085179 where: bonds (distance) C4'-P energy: -87.699 bonds (distance) P-C4' energy: -92.793 flat angles C4'-P-C4' energy: -90.771 flat angles P-C4'-P energy: -51.644 tors. eta vs tors. theta energy: -123.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1276.313469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.313469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.313469 (E_RNA) where: Base-Base interactions energy: -848.580 where: short stacking energy: -390.690 Base-Backbone interact. energy: -1.965 local terms energy: -425.768461 where: bonds (distance) C4'-P energy: -76.033 bonds (distance) P-C4' energy: -80.440 flat angles C4'-P-C4' energy: -90.439 flat angles P-C4'-P energy: -62.858 tors. eta vs tors. theta energy: -115.997 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: 7 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1260.644959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.644959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.644959 (E_RNA) where: Base-Base interactions energy: -884.378 where: short stacking energy: -369.866 Base-Backbone interact. energy: -0.941 local terms energy: -375.325293 where: bonds (distance) C4'-P energy: -69.240 bonds (distance) P-C4' energy: -73.260 flat angles C4'-P-C4' energy: -78.567 flat angles P-C4'-P energy: -48.375 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: 4, replica: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1039.836364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.836364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.836364 (E_RNA) where: Base-Base interactions energy: -677.200 where: short stacking energy: -306.619 Base-Backbone interact. energy: -0.913 local terms energy: -361.722850 where: bonds (distance) C4'-P energy: -69.880 bonds (distance) P-C4' energy: -77.970 flat angles C4'-P-C4' energy: -77.629 flat angles P-C4'-P energy: -52.373 tors. eta vs tors. theta energy: -83.872 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: 1 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -935.784308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.784308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.784308 (E_RNA) where: Base-Base interactions energy: -594.926 where: short stacking energy: -260.799 Base-Backbone interact. energy: 2.560 local terms energy: -343.418222 where: bonds (distance) C4'-P energy: -83.056 bonds (distance) P-C4' energy: -71.450 flat angles C4'-P-C4' energy: -80.051 flat angles P-C4'-P energy: -43.249 tors. eta vs tors. theta energy: -65.612 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: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -835.315530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.315530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.315530 (E_RNA) where: Base-Base interactions energy: -507.754 where: short stacking energy: -234.454 Base-Backbone interact. energy: -3.529 local terms energy: -324.033273 where: bonds (distance) C4'-P energy: -75.326 bonds (distance) P-C4' energy: -67.003 flat angles C4'-P-C4' energy: -73.545 flat angles P-C4'-P energy: -37.994 tors. eta vs tors. theta energy: -70.165 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: 4 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -669.124587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.124587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.124587 (E_RNA) where: Base-Base interactions energy: -379.151 where: short stacking energy: -221.446 Base-Backbone interact. energy: -1.081 local terms energy: -288.892036 where: bonds (distance) C4'-P energy: -71.816 bonds (distance) P-C4' energy: -64.573 flat angles C4'-P-C4' energy: -55.846 flat angles P-C4'-P energy: -48.198 tors. eta vs tors. theta energy: -48.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -605.895105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.895105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.895105 (E_RNA) where: Base-Base interactions energy: -327.944 where: short stacking energy: -183.650 Base-Backbone interact. energy: 1.928 local terms energy: -279.879003 where: bonds (distance) C4'-P energy: -63.613 bonds (distance) P-C4' energy: -69.230 flat angles C4'-P-C4' energy: -72.544 flat angles P-C4'-P energy: -41.818 tors. eta vs tors. theta energy: -32.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -556.937255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.937255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.937255 (E_RNA) where: Base-Base interactions energy: -333.212 where: short stacking energy: -179.585 Base-Backbone interact. energy: 2.388 local terms energy: -226.112785 where: bonds (distance) C4'-P energy: -64.246 bonds (distance) P-C4' energy: -57.558 flat angles C4'-P-C4' energy: -57.988 flat angles P-C4'-P energy: -32.274 tors. eta vs tors. theta energy: -14.047 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: 151 Temperature: 1.350000 Total energy: -357.288785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.288785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.288785 (E_RNA) where: Base-Base interactions energy: -151.085 where: short stacking energy: -97.701 Base-Backbone interact. energy: 1.458 local terms energy: -207.661700 where: bonds (distance) C4'-P energy: -73.753 bonds (distance) P-C4' energy: -57.374 flat angles C4'-P-C4' energy: -41.019 flat angles P-C4'-P energy: -40.562 tors. eta vs tors. theta energy: 5.047 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: 10 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1356.952904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.952904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.952904 (E_RNA) where: Base-Base interactions energy: -917.151 where: short stacking energy: -431.539 Base-Backbone interact. energy: -0.393 local terms energy: -439.408685 where: bonds (distance) C4'-P energy: -79.743 bonds (distance) P-C4' energy: -80.229 flat angles C4'-P-C4' energy: -96.747 flat angles P-C4'-P energy: -59.009 tors. eta vs tors. theta energy: -123.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1237.254103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.254103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.254103 (E_RNA) where: Base-Base interactions energy: -818.675 where: short stacking energy: -389.595 Base-Backbone interact. energy: -1.373 local terms energy: -417.206248 where: bonds (distance) C4'-P energy: -70.434 bonds (distance) P-C4' energy: -84.245 flat angles C4'-P-C4' energy: -90.891 flat angles P-C4'-P energy: -62.046 tors. eta vs tors. theta energy: -109.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1256.455477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.455477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.455477 (E_RNA) where: Base-Base interactions energy: -833.855 where: short stacking energy: -358.907 Base-Backbone interact. energy: -2.589 local terms energy: -420.011560 where: bonds (distance) C4'-P energy: -85.873 bonds (distance) P-C4' energy: -85.787 flat angles C4'-P-C4' energy: -82.594 flat angles P-C4'-P energy: -55.444 tors. eta vs tors. theta energy: -110.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1067.106604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.106604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.106604 (E_RNA) where: Base-Base interactions energy: -703.447 where: short stacking energy: -296.687 Base-Backbone interact. energy: 2.381 local terms energy: -366.039774 where: bonds (distance) C4'-P energy: -77.282 bonds (distance) P-C4' energy: -82.705 flat angles C4'-P-C4' energy: -80.856 flat angles P-C4'-P energy: -55.767 tors. eta vs tors. theta energy: -69.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -917.230073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.230073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.230073 (E_RNA) where: Base-Base interactions energy: -603.229 where: short stacking energy: -282.372 Base-Backbone interact. energy: 5.128 local terms energy: -319.129559 where: bonds (distance) C4'-P energy: -72.101 bonds (distance) P-C4' energy: -62.483 flat angles C4'-P-C4' energy: -72.700 flat angles P-C4'-P energy: -45.085 tors. eta vs tors. theta energy: -66.760 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: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -757.532034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.532034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.532034 (E_RNA) where: Base-Base interactions energy: -439.048 where: short stacking energy: -247.895 Base-Backbone interact. energy: -2.666 local terms energy: -315.818256 where: bonds (distance) C4'-P energy: -67.926 bonds (distance) P-C4' energy: -79.016 flat angles C4'-P-C4' energy: -80.121 flat angles P-C4'-P energy: -34.289 tors. eta vs tors. theta energy: -54.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -680.550645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.550645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.550645 (E_RNA) where: Base-Base interactions energy: -403.783 where: short stacking energy: -204.797 Base-Backbone interact. energy: -1.374 local terms energy: -275.393613 where: bonds (distance) C4'-P energy: -58.520 bonds (distance) P-C4' energy: -65.085 flat angles C4'-P-C4' energy: -68.088 flat angles P-C4'-P energy: -42.587 tors. eta vs tors. theta energy: -41.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -611.538639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.538639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.538639 (E_RNA) where: Base-Base interactions energy: -339.547 where: short stacking energy: -192.055 Base-Backbone interact. energy: -0.397 local terms energy: -271.594373 where: bonds (distance) C4'-P energy: -58.978 bonds (distance) P-C4' energy: -72.009 flat angles C4'-P-C4' energy: -65.903 flat angles P-C4'-P energy: -42.029 tors. eta vs tors. theta energy: -32.675 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: 5 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -504.618295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.618295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.618295 (E_RNA) where: Base-Base interactions energy: -238.215 where: short stacking energy: -145.576 Base-Backbone interact. energy: -1.724 local terms energy: -264.679925 where: bonds (distance) C4'-P energy: -77.979 bonds (distance) P-C4' energy: -75.175 flat angles C4'-P-C4' energy: -60.986 flat angles P-C4'-P energy: -40.595 tors. eta vs tors. theta energy: -9.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -344.448448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.448448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.448448 (E_RNA) where: Base-Base interactions energy: -129.409 where: short stacking energy: -108.093 Base-Backbone interact. energy: -0.444 local terms energy: -214.595156 where: bonds (distance) C4'-P energy: -62.321 bonds (distance) P-C4' energy: -56.836 flat angles C4'-P-C4' energy: -72.849 flat angles P-C4'-P energy: -24.856 tors. eta vs tors. theta energy: 2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1349.058076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.058076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.058076 (E_RNA) where: Base-Base interactions energy: -910.819 where: short stacking energy: -407.136 Base-Backbone interact. energy: -0.544 local terms energy: -437.694981 where: bonds (distance) C4'-P energy: -83.963 bonds (distance) P-C4' energy: -75.222 flat angles C4'-P-C4' energy: -93.457 flat angles P-C4'-P energy: -57.532 tors. eta vs tors. theta energy: -127.521 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: 7 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1275.772833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.772833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.772833 (E_RNA) where: Base-Base interactions energy: -847.591 where: short stacking energy: -385.550 Base-Backbone interact. energy: 1.071 local terms energy: -429.252135 where: bonds (distance) C4'-P energy: -91.350 bonds (distance) P-C4' energy: -80.431 flat angles C4'-P-C4' energy: -93.367 flat angles P-C4'-P energy: -48.323 tors. eta vs tors. theta energy: -115.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1216.167484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.167484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.167484 (E_RNA) where: Base-Base interactions energy: -814.850 where: short stacking energy: -400.457 Base-Backbone interact. energy: -3.182 local terms energy: -398.135516 where: bonds (distance) C4'-P energy: -65.709 bonds (distance) P-C4' energy: -72.154 flat angles C4'-P-C4' energy: -83.435 flat angles P-C4'-P energy: -60.419 tors. eta vs tors. theta energy: -116.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1082.396812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.396812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.396812 (E_RNA) where: Base-Base interactions energy: -699.208 where: short stacking energy: -323.959 Base-Backbone interact. energy: -0.390 local terms energy: -382.799220 where: bonds (distance) C4'-P energy: -71.947 bonds (distance) P-C4' energy: -83.369 flat angles C4'-P-C4' energy: -83.921 flat angles P-C4'-P energy: -42.135 tors. eta vs tors. theta energy: -101.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -929.958063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.958063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.958063 (E_RNA) where: Base-Base interactions energy: -598.005 where: short stacking energy: -282.286 Base-Backbone interact. energy: -2.995 local terms energy: -328.957676 where: bonds (distance) C4'-P energy: -71.072 bonds (distance) P-C4' energy: -83.253 flat angles C4'-P-C4' energy: -72.011 flat angles P-C4'-P energy: -45.442 tors. eta vs tors. theta energy: -57.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -734.931458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.931458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.931458 (E_RNA) where: Base-Base interactions energy: -451.347 where: short stacking energy: -253.780 Base-Backbone interact. energy: 0.650 local terms energy: -284.234450 where: bonds (distance) C4'-P energy: -66.400 bonds (distance) P-C4' energy: -77.119 flat angles C4'-P-C4' energy: -65.921 flat angles P-C4'-P energy: -24.328 tors. eta vs tors. theta energy: -50.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -721.762052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.762052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.762052 (E_RNA) where: Base-Base interactions energy: -407.526 where: short stacking energy: -183.013 Base-Backbone interact. energy: 1.766 local terms energy: -316.002180 where: bonds (distance) C4'-P energy: -73.329 bonds (distance) P-C4' energy: -80.183 flat angles C4'-P-C4' energy: -71.252 flat angles P-C4'-P energy: -47.779 tors. eta vs tors. theta energy: -43.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -611.036693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.036693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.036693 (E_RNA) where: Base-Base interactions energy: -320.604 where: short stacking energy: -168.932 Base-Backbone interact. energy: 0.086 local terms energy: -290.518423 where: bonds (distance) C4'-P energy: -60.200 bonds (distance) P-C4' energy: -85.048 flat angles C4'-P-C4' energy: -72.131 flat angles P-C4'-P energy: -45.507 tors. eta vs tors. theta energy: -27.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -478.054458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.054458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.054458 (E_RNA) where: Base-Base interactions energy: -232.084 where: short stacking energy: -148.479 Base-Backbone interact. energy: -0.653 local terms energy: -245.317525 where: bonds (distance) C4'-P energy: -72.434 bonds (distance) P-C4' energy: -56.485 flat angles C4'-P-C4' energy: -61.937 flat angles P-C4'-P energy: -38.397 tors. eta vs tors. theta energy: -16.066 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: 8 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -317.281345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.281345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.281345 (E_RNA) where: Base-Base interactions energy: -106.692 where: short stacking energy: -87.978 Base-Backbone interact. energy: 1.747 local terms energy: -212.336427 where: bonds (distance) C4'-P energy: -64.757 bonds (distance) P-C4' energy: -71.806 flat angles C4'-P-C4' energy: -50.576 flat angles P-C4'-P energy: -45.120 tors. eta vs tors. theta energy: 19.923 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: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1387.401947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.401947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.401947 (E_RNA) where: Base-Base interactions energy: -942.924 where: short stacking energy: -429.321 Base-Backbone interact. energy: -1.721 local terms energy: -442.756770 where: bonds (distance) C4'-P energy: -81.043 bonds (distance) P-C4' energy: -71.439 flat angles C4'-P-C4' energy: -89.317 flat angles P-C4'-P energy: -60.727 tors. eta vs tors. theta energy: -140.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1282.176512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.176512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.176512 (E_RNA) where: Base-Base interactions energy: -868.478 where: short stacking energy: -391.100 Base-Backbone interact. energy: -0.963 local terms energy: -412.735582 where: bonds (distance) C4'-P energy: -65.223 bonds (distance) P-C4' energy: -74.632 flat angles C4'-P-C4' energy: -94.988 flat angles P-C4'-P energy: -62.041 tors. eta vs tors. theta energy: -115.852 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: 9 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1230.187924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.187924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.187924 (E_RNA) where: Base-Base interactions energy: -809.373 where: short stacking energy: -391.446 Base-Backbone interact. energy: -0.829 local terms energy: -419.986844 where: bonds (distance) C4'-P energy: -74.415 bonds (distance) P-C4' energy: -81.840 flat angles C4'-P-C4' energy: -92.570 flat angles P-C4'-P energy: -55.570 tors. eta vs tors. theta energy: -115.592 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: 2 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1003.293688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.293688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.293688 (E_RNA) where: Base-Base interactions energy: -646.258 where: short stacking energy: -309.469 Base-Backbone interact. energy: -2.280 local terms energy: -354.754917 where: bonds (distance) C4'-P energy: -65.713 bonds (distance) P-C4' energy: -75.320 flat angles C4'-P-C4' energy: -79.950 flat angles P-C4'-P energy: -52.753 tors. eta vs tors. theta energy: -81.018 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: 1 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -902.201979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.201979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.201979 (E_RNA) where: Base-Base interactions energy: -562.659 where: short stacking energy: -279.942 Base-Backbone interact. energy: -1.346 local terms energy: -338.196760 where: bonds (distance) C4'-P energy: -66.879 bonds (distance) P-C4' energy: -73.710 flat angles C4'-P-C4' energy: -69.135 flat angles P-C4'-P energy: -57.802 tors. eta vs tors. theta energy: -70.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -709.760359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.760359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.760359 (E_RNA) where: Base-Base interactions energy: -407.337 where: short stacking energy: -211.103 Base-Backbone interact. energy: 0.308 local terms energy: -302.730817 where: bonds (distance) C4'-P energy: -75.685 bonds (distance) P-C4' energy: -59.153 flat angles C4'-P-C4' energy: -79.326 flat angles P-C4'-P energy: -47.761 tors. eta vs tors. theta energy: -40.805 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: 154 Temperature: 1.200000 Total energy: -793.134541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.134541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.134541 (E_RNA) where: Base-Base interactions energy: -486.127 where: short stacking energy: -234.404 Base-Backbone interact. energy: -1.034 local terms energy: -305.974127 where: bonds (distance) C4'-P energy: -60.012 bonds (distance) P-C4' energy: -62.503 flat angles C4'-P-C4' energy: -75.056 flat angles P-C4'-P energy: -55.641 tors. eta vs tors. theta energy: -52.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -639.609429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.609429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.609429 (E_RNA) where: Base-Base interactions energy: -378.666 where: short stacking energy: -213.742 Base-Backbone interact. energy: -2.071 local terms energy: -258.873120 where: bonds (distance) C4'-P energy: -45.265 bonds (distance) P-C4' energy: -66.714 flat angles C4'-P-C4' energy: -63.390 flat angles P-C4'-P energy: -47.485 tors. eta vs tors. theta energy: -36.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -488.476344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.476344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.476344 (E_RNA) where: Base-Base interactions energy: -225.584 where: short stacking energy: -144.494 Base-Backbone interact. energy: 2.616 local terms energy: -265.508093 where: bonds (distance) C4'-P energy: -69.280 bonds (distance) P-C4' energy: -73.417 flat angles C4'-P-C4' energy: -71.922 flat angles P-C4'-P energy: -40.353 tors. eta vs tors. theta energy: -10.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -377.179847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.179847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.179847 (E_RNA) where: Base-Base interactions energy: -138.322 where: short stacking energy: -110.944 Base-Backbone interact. energy: -0.373 local terms energy: -238.484781 where: bonds (distance) C4'-P energy: -74.922 bonds (distance) P-C4' energy: -73.896 flat angles C4'-P-C4' energy: -59.395 flat angles P-C4'-P energy: -35.844 tors. eta vs tors. theta energy: 5.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1360.587404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.587404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.587404 (E_RNA) where: Base-Base interactions energy: -912.687 where: short stacking energy: -422.208 Base-Backbone interact. energy: -0.701 local terms energy: -447.199361 where: bonds (distance) C4'-P energy: -89.275 bonds (distance) P-C4' energy: -76.370 flat angles C4'-P-C4' energy: -88.517 flat angles P-C4'-P energy: -60.909 tors. eta vs tors. theta energy: -132.129 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: 7 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1307.469785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.469785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.469785 (E_RNA) where: Base-Base interactions energy: -888.707 where: short stacking energy: -394.205 Base-Backbone interact. energy: -0.843 local terms energy: -417.920187 where: bonds (distance) C4'-P energy: -80.877 bonds (distance) P-C4' energy: -72.217 flat angles C4'-P-C4' energy: -90.902 flat angles P-C4'-P energy: -60.121 tors. eta vs tors. theta energy: -113.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1227.770727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.770727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.770727 (E_RNA) where: Base-Base interactions energy: -812.436 where: short stacking energy: -401.598 Base-Backbone interact. energy: -1.093 local terms energy: -414.242441 where: bonds (distance) C4'-P energy: -78.405 bonds (distance) P-C4' energy: -75.608 flat angles C4'-P-C4' energy: -86.856 flat angles P-C4'-P energy: -63.430 tors. eta vs tors. theta energy: -109.943 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: 4, replica: 2 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1055.156172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.156172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.156172 (E_RNA) where: Base-Base interactions energy: -674.195 where: short stacking energy: -311.811 Base-Backbone interact. energy: -2.125 local terms energy: -378.836225 where: bonds (distance) C4'-P energy: -80.370 bonds (distance) P-C4' energy: -77.929 flat angles C4'-P-C4' energy: -83.260 flat angles P-C4'-P energy: -56.440 tors. eta vs tors. theta energy: -80.838 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: 1 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -926.129216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.129216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.129216 (E_RNA) where: Base-Base interactions energy: -585.200 where: short stacking energy: -281.125 Base-Backbone interact. energy: -0.647 local terms energy: -340.281570 where: bonds (distance) C4'-P energy: -70.570 bonds (distance) P-C4' energy: -63.174 flat angles C4'-P-C4' energy: -80.665 flat angles P-C4'-P energy: -51.134 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: 6, replica: 4 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -788.911936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.911936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.911936 (E_RNA) where: Base-Base interactions energy: -500.329 where: short stacking energy: -236.206 Base-Backbone interact. energy: -1.204 local terms energy: -287.378801 where: bonds (distance) C4'-P energy: -56.025 bonds (distance) P-C4' energy: -77.060 flat angles C4'-P-C4' energy: -76.442 flat angles P-C4'-P energy: -34.790 tors. eta vs tors. theta energy: -43.062 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: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -640.576005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.576005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.576005 (E_RNA) where: Base-Base interactions energy: -358.886 where: short stacking energy: -178.719 Base-Backbone interact. energy: -0.274 local terms energy: -281.416386 where: bonds (distance) C4'-P energy: -57.552 bonds (distance) P-C4' energy: -68.889 flat angles C4'-P-C4' energy: -72.643 flat angles P-C4'-P energy: -45.708 tors. eta vs tors. theta energy: -36.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -634.362460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.362460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.362460 (E_RNA) where: Base-Base interactions energy: -370.070 where: short stacking energy: -197.238 Base-Backbone interact. energy: -0.952 local terms energy: -263.340720 where: bonds (distance) C4'-P energy: -70.689 bonds (distance) P-C4' energy: -68.810 flat angles C4'-P-C4' energy: -67.823 flat angles P-C4'-P energy: -24.453 tors. eta vs tors. theta energy: -31.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -485.684403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.684403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.684403 (E_RNA) where: Base-Base interactions energy: -226.721 where: short stacking energy: -138.478 Base-Backbone interact. energy: -1.031 local terms energy: -257.932523 where: bonds (distance) C4'-P energy: -77.942 bonds (distance) P-C4' energy: -74.317 flat angles C4'-P-C4' energy: -69.722 flat angles P-C4'-P energy: -37.421 tors. eta vs tors. theta energy: 1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -339.353607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.353607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.353607 (E_RNA) where: Base-Base interactions energy: -146.807 where: short stacking energy: -82.777 Base-Backbone interact. energy: 2.560 local terms energy: -195.106981 where: bonds (distance) C4'-P energy: -57.008 bonds (distance) P-C4' energy: -76.069 flat angles C4'-P-C4' energy: -46.512 flat angles P-C4'-P energy: -26.337 tors. eta vs tors. theta energy: 10.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1337.142788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.142788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.142788 (E_RNA) where: Base-Base interactions energy: -905.267 where: short stacking energy: -416.747 Base-Backbone interact. energy: -1.019 local terms energy: -430.856715 where: bonds (distance) C4'-P energy: -79.191 bonds (distance) P-C4' energy: -73.884 flat angles C4'-P-C4' energy: -93.470 flat angles P-C4'-P energy: -58.148 tors. eta vs tors. theta energy: -126.164 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: 7 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1291.466289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.466289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.466289 (E_RNA) where: Base-Base interactions energy: -871.795 where: short stacking energy: -373.804 Base-Backbone interact. energy: -0.465 local terms energy: -419.205554 where: bonds (distance) C4'-P energy: -81.794 bonds (distance) P-C4' energy: -74.258 flat angles C4'-P-C4' energy: -92.362 flat angles P-C4'-P energy: -68.936 tors. eta vs tors. theta energy: -101.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1231.251073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.251073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.251073 (E_RNA) where: Base-Base interactions energy: -825.713 where: short stacking energy: -392.516 Base-Backbone interact. energy: 1.105 local terms energy: -406.642811 where: bonds (distance) C4'-P energy: -77.805 bonds (distance) P-C4' energy: -83.730 flat angles C4'-P-C4' energy: -78.349 flat angles P-C4'-P energy: -54.881 tors. eta vs tors. theta energy: -111.878 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: 2 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1043.752485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.752485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.752485 (E_RNA) where: Base-Base interactions energy: -682.636 where: short stacking energy: -322.159 Base-Backbone interact. energy: -1.424 local terms energy: -359.693046 where: bonds (distance) C4'-P energy: -68.015 bonds (distance) P-C4' energy: -62.152 flat angles C4'-P-C4' energy: -82.122 flat angles P-C4'-P energy: -64.233 tors. eta vs tors. theta energy: -83.169 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: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -824.993578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.993578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.993578 (E_RNA) where: Base-Base interactions energy: -506.694 where: short stacking energy: -263.782 Base-Backbone interact. energy: -0.894 local terms energy: -317.404792 where: bonds (distance) C4'-P energy: -68.275 bonds (distance) P-C4' energy: -63.234 flat angles C4'-P-C4' energy: -72.796 flat angles P-C4'-P energy: -41.624 tors. eta vs tors. theta energy: -71.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -938.256119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.256119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.256119 (E_RNA) where: Base-Base interactions energy: -598.299 where: short stacking energy: -309.745 Base-Backbone interact. energy: -1.383 local terms energy: -338.573987 where: bonds (distance) C4'-P energy: -61.596 bonds (distance) P-C4' energy: -62.606 flat angles C4'-P-C4' energy: -81.988 flat angles P-C4'-P energy: -51.526 tors. eta vs tors. theta energy: -80.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -630.862491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.862491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.862491 (E_RNA) where: Base-Base interactions energy: -354.049 where: short stacking energy: -202.395 Base-Backbone interact. energy: 1.419 local terms energy: -278.232605 where: bonds (distance) C4'-P energy: -75.738 bonds (distance) P-C4' energy: -58.294 flat angles C4'-P-C4' energy: -60.206 flat angles P-C4'-P energy: -42.394 tors. eta vs tors. theta energy: -41.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -605.565118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.565118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.565118 (E_RNA) where: Base-Base interactions energy: -326.705 where: short stacking energy: -186.070 Base-Backbone interact. energy: -0.316 local terms energy: -278.543497 where: bonds (distance) C4'-P energy: -70.027 bonds (distance) P-C4' energy: -71.231 flat angles C4'-P-C4' energy: -70.073 flat angles P-C4'-P energy: -37.654 tors. eta vs tors. theta energy: -29.559 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: 5 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -527.575694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.575694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.575694 (E_RNA) where: Base-Base interactions energy: -285.983 where: short stacking energy: -144.207 Base-Backbone interact. energy: 0.779 local terms energy: -242.370893 where: bonds (distance) C4'-P energy: -65.017 bonds (distance) P-C4' energy: -65.561 flat angles C4'-P-C4' energy: -58.922 flat angles P-C4'-P energy: -50.493 tors. eta vs tors. theta energy: -2.378 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: 156 Temperature: 1.350000 Total energy: -330.621033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.621033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.621033 (E_RNA) where: Base-Base interactions energy: -96.880 where: short stacking energy: -92.316 Base-Backbone interact. energy: -0.465 local terms energy: -233.276415 where: bonds (distance) C4'-P energy: -64.926 bonds (distance) P-C4' energy: -74.400 flat angles C4'-P-C4' energy: -63.366 flat angles P-C4'-P energy: -42.854 tors. eta vs tors. theta energy: 12.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1337.248361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.248361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.248361 (E_RNA) where: Base-Base interactions energy: -912.641 where: short stacking energy: -401.809 Base-Backbone interact. energy: -0.306 local terms energy: -424.301957 where: bonds (distance) C4'-P energy: -74.531 bonds (distance) P-C4' energy: -78.567 flat angles C4'-P-C4' energy: -81.966 flat angles P-C4'-P energy: -66.052 tors. eta vs tors. theta energy: -123.186 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: 2, replica: 7 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1237.386962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.386962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.386962 (E_RNA) where: Base-Base interactions energy: -858.816 where: short stacking energy: -364.477 Base-Backbone interact. energy: -1.054 local terms energy: -377.516865 where: bonds (distance) C4'-P energy: -70.220 bonds (distance) P-C4' energy: -70.626 flat angles C4'-P-C4' energy: -88.780 flat angles P-C4'-P energy: -52.261 tors. eta vs tors. theta energy: -95.630 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: 3, replica: 9 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1220.824135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.824135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.824135 (E_RNA) where: Base-Base interactions energy: -813.142 where: short stacking energy: -382.992 Base-Backbone interact. energy: -1.144 local terms energy: -406.538161 where: bonds (distance) C4'-P energy: -76.803 bonds (distance) P-C4' energy: -79.804 flat angles C4'-P-C4' energy: -84.122 flat angles P-C4'-P energy: -55.247 tors. eta vs tors. theta energy: -110.563 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: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1036.767281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.767281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.767281 (E_RNA) where: Base-Base interactions energy: -668.888 where: short stacking energy: -312.993 Base-Backbone interact. energy: -0.343 local terms energy: -367.536247 where: bonds (distance) C4'-P energy: -81.882 bonds (distance) P-C4' energy: -72.124 flat angles C4'-P-C4' energy: -70.625 flat angles P-C4'-P energy: -58.704 tors. eta vs tors. theta energy: -84.201 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: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -835.201440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.201440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.201440 (E_RNA) where: Base-Base interactions energy: -521.966 where: short stacking energy: -262.270 Base-Backbone interact. energy: -1.625 local terms energy: -311.610358 where: bonds (distance) C4'-P energy: -71.292 bonds (distance) P-C4' energy: -66.187 flat angles C4'-P-C4' energy: -66.831 flat angles P-C4'-P energy: -48.716 tors. eta vs tors. theta energy: -58.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -888.588773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.588773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.588773 (E_RNA) where: Base-Base interactions energy: -566.026 where: short stacking energy: -243.624 Base-Backbone interact. energy: 0.356 local terms energy: -322.919025 where: bonds (distance) C4'-P energy: -66.367 bonds (distance) P-C4' energy: -70.711 flat angles C4'-P-C4' energy: -76.006 flat angles P-C4'-P energy: -55.982 tors. eta vs tors. theta energy: -53.853 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: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -606.654598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.654598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.654598 (E_RNA) where: Base-Base interactions energy: -325.922 where: short stacking energy: -203.030 Base-Backbone interact. energy: 1.228 local terms energy: -281.960659 where: bonds (distance) C4'-P energy: -54.795 bonds (distance) P-C4' energy: -65.949 flat angles C4'-P-C4' energy: -75.528 flat angles P-C4'-P energy: -42.566 tors. eta vs tors. theta energy: -43.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -629.079237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.079237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.079237 (E_RNA) where: Base-Base interactions energy: -346.572 where: short stacking energy: -182.347 Base-Backbone interact. energy: 0.203 local terms energy: -282.710529 where: bonds (distance) C4'-P energy: -70.990 bonds (distance) P-C4' energy: -72.759 flat angles C4'-P-C4' energy: -75.385 flat angles P-C4'-P energy: -38.955 tors. eta vs tors. theta energy: -24.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -525.418991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.418991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.418991 (E_RNA) where: Base-Base interactions energy: -279.028 where: short stacking energy: -172.550 Base-Backbone interact. energy: 4.861 local terms energy: -251.252605 where: bonds (distance) C4'-P energy: -71.052 bonds (distance) P-C4' energy: -55.432 flat angles C4'-P-C4' energy: -70.010 flat angles P-C4'-P energy: -36.112 tors. eta vs tors. theta energy: -18.647 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: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -333.676436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.676436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.676436 (E_RNA) where: Base-Base interactions energy: -105.361 where: short stacking energy: -87.314 Base-Backbone interact. energy: 0.374 local terms energy: -228.689685 where: bonds (distance) C4'-P energy: -68.502 bonds (distance) P-C4' energy: -67.465 flat angles C4'-P-C4' energy: -51.856 flat angles P-C4'-P energy: -40.077 tors. eta vs tors. theta energy: -0.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1342.087053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.087053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.087053 (E_RNA) where: Base-Base interactions energy: -907.665 where: short stacking energy: -424.904 Base-Backbone interact. energy: -0.349 local terms energy: -434.073571 where: bonds (distance) C4'-P energy: -72.919 bonds (distance) P-C4' energy: -80.872 flat angles C4'-P-C4' energy: -87.390 flat angles P-C4'-P energy: -66.133 tors. eta vs tors. theta energy: -126.760 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: 7 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1278.024803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.024803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.024803 (E_RNA) where: Base-Base interactions energy: -879.089 where: short stacking energy: -375.468 Base-Backbone interact. energy: -2.216 local terms energy: -396.718907 where: bonds (distance) C4'-P energy: -69.837 bonds (distance) P-C4' energy: -80.071 flat angles C4'-P-C4' energy: -82.703 flat angles P-C4'-P energy: -57.804 tors. eta vs tors. theta energy: -106.304 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: 9 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1175.046451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.046451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.046451 (E_RNA) where: Base-Base interactions energy: -765.414 where: short stacking energy: -361.050 Base-Backbone interact. energy: 1.078 local terms energy: -410.710440 where: bonds (distance) C4'-P energy: -78.318 bonds (distance) P-C4' energy: -80.095 flat angles C4'-P-C4' energy: -84.335 flat angles P-C4'-P energy: -60.058 tors. eta vs tors. theta energy: -107.905 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: 158 Temperature: 1.050000 Total energy: -1028.051645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.051645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.051645 (E_RNA) where: Base-Base interactions energy: -679.954 where: short stacking energy: -334.090 Base-Backbone interact. energy: 1.832 local terms energy: -349.929811 where: bonds (distance) C4'-P energy: -61.270 bonds (distance) P-C4' energy: -60.009 flat angles C4'-P-C4' energy: -85.571 flat angles P-C4'-P energy: -55.445 tors. eta vs tors. theta energy: -87.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -926.634776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.634776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.634776 (E_RNA) where: Base-Base interactions energy: -596.323 where: short stacking energy: -282.929 Base-Backbone interact. energy: 0.316 local terms energy: -330.628334 where: bonds (distance) C4'-P energy: -76.132 bonds (distance) P-C4' energy: -74.547 flat angles C4'-P-C4' energy: -75.181 flat angles P-C4'-P energy: -42.600 tors. eta vs tors. theta energy: -62.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -806.955908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.955908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.955908 (E_RNA) where: Base-Base interactions energy: -499.356 where: short stacking energy: -258.554 Base-Backbone interact. energy: 2.920 local terms energy: -310.520321 where: bonds (distance) C4'-P energy: -78.040 bonds (distance) P-C4' energy: -58.914 flat angles C4'-P-C4' energy: -75.258 flat angles P-C4'-P energy: -41.759 tors. eta vs tors. theta energy: -56.548 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: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -597.944839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.944839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.944839 (E_RNA) where: Base-Base interactions energy: -302.416 where: short stacking energy: -179.256 Base-Backbone interact. energy: 1.709 local terms energy: -297.237993 where: bonds (distance) C4'-P energy: -72.343 bonds (distance) P-C4' energy: -75.604 flat angles C4'-P-C4' energy: -69.325 flat angles P-C4'-P energy: -49.207 tors. eta vs tors. theta energy: -30.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -587.392275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.392275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.392275 (E_RNA) where: Base-Base interactions energy: -340.865 where: short stacking energy: -174.569 Base-Backbone interact. energy: -1.230 local terms energy: -245.297579 where: bonds (distance) C4'-P energy: -67.537 bonds (distance) P-C4' energy: -66.321 flat angles C4'-P-C4' energy: -58.342 flat angles P-C4'-P energy: -43.721 tors. eta vs tors. theta energy: -9.376 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: 5 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -493.086161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.086161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.086161 (E_RNA) where: Base-Base interactions energy: -256.087 where: short stacking energy: -156.777 Base-Backbone interact. energy: -2.342 local terms energy: -234.657496 where: bonds (distance) C4'-P energy: -49.312 bonds (distance) P-C4' energy: -69.752 flat angles C4'-P-C4' energy: -55.600 flat angles P-C4'-P energy: -40.196 tors. eta vs tors. theta energy: -19.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -328.009338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.009338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.009338 (E_RNA) where: Base-Base interactions energy: -118.436 where: short stacking energy: -114.916 Base-Backbone interact. energy: 0.293 local terms energy: -209.866447 where: bonds (distance) C4'-P energy: -65.526 bonds (distance) P-C4' energy: -56.363 flat angles C4'-P-C4' energy: -55.246 flat angles P-C4'-P energy: -37.163 tors. eta vs tors. theta energy: 4.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1350.827467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.827467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.827467 (E_RNA) where: Base-Base interactions energy: -903.105 where: short stacking energy: -430.848 Base-Backbone interact. energy: -0.553 local terms energy: -447.169958 where: bonds (distance) C4'-P energy: -82.081 bonds (distance) P-C4' energy: -80.089 flat angles C4'-P-C4' energy: -97.329 flat angles P-C4'-P energy: -59.446 tors. eta vs tors. theta energy: -128.224 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: 7 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1279.773433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.773433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.773433 (E_RNA) where: Base-Base interactions energy: -876.505 where: short stacking energy: -366.892 Base-Backbone interact. energy: -0.915 local terms energy: -402.353316 where: bonds (distance) C4'-P energy: -77.134 bonds (distance) P-C4' energy: -76.098 flat angles C4'-P-C4' energy: -76.949 flat angles P-C4'-P energy: -65.735 tors. eta vs tors. theta energy: -106.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1175.297998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.297998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.297998 (E_RNA) where: Base-Base interactions energy: -806.042 where: short stacking energy: -359.947 Base-Backbone interact. energy: -1.572 local terms energy: -367.684390 where: bonds (distance) C4'-P energy: -64.763 bonds (distance) P-C4' energy: -73.885 flat angles C4'-P-C4' energy: -76.782 flat angles P-C4'-P energy: -50.692 tors. eta vs tors. theta energy: -101.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1054.082916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.082916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.082916 (E_RNA) where: Base-Base interactions energy: -692.266 where: short stacking energy: -328.217 Base-Backbone interact. energy: -1.943 local terms energy: -359.873751 where: bonds (distance) C4'-P energy: -64.314 bonds (distance) P-C4' energy: -70.321 flat angles C4'-P-C4' energy: -85.694 flat angles P-C4'-P energy: -51.854 tors. eta vs tors. theta energy: -87.692 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: 1 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -945.686312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.686312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.686312 (E_RNA) where: Base-Base interactions energy: -606.226 where: short stacking energy: -294.389 Base-Backbone interact. energy: -0.337 local terms energy: -339.123602 where: bonds (distance) C4'-P energy: -62.885 bonds (distance) P-C4' energy: -75.514 flat angles C4'-P-C4' energy: -79.282 flat angles P-C4'-P energy: -50.219 tors. eta vs tors. theta energy: -71.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -833.368750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.368750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.368750 (E_RNA) where: Base-Base interactions energy: -520.257 where: short stacking energy: -253.686 Base-Backbone interact. energy: 1.103 local terms energy: -314.214200 where: bonds (distance) C4'-P energy: -63.642 bonds (distance) P-C4' energy: -68.889 flat angles C4'-P-C4' energy: -81.743 flat angles P-C4'-P energy: -51.610 tors. eta vs tors. theta energy: -48.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -579.873141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.873141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.873141 (E_RNA) where: Base-Base interactions energy: -316.924 where: short stacking energy: -188.296 Base-Backbone interact. energy: 0.201 local terms energy: -263.150010 where: bonds (distance) C4'-P energy: -60.334 bonds (distance) P-C4' energy: -72.339 flat angles C4'-P-C4' energy: -59.323 flat angles P-C4'-P energy: -38.871 tors. eta vs tors. theta energy: -32.283 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: 159 Temperature: 1.250000 Total energy: -635.437136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.437136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.437136 (E_RNA) where: Base-Base interactions energy: -338.777 where: short stacking energy: -181.762 Base-Backbone interact. energy: -1.718 local terms energy: -294.941707 where: bonds (distance) C4'-P energy: -59.879 bonds (distance) P-C4' energy: -80.240 flat angles C4'-P-C4' energy: -74.482 flat angles P-C4'-P energy: -38.055 tors. eta vs tors. theta energy: -42.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -448.265147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.265147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.265147 (E_RNA) where: Base-Base interactions energy: -213.435 where: short stacking energy: -122.063 Base-Backbone interact. energy: 0.252 local terms energy: -235.081922 where: bonds (distance) C4'-P energy: -56.469 bonds (distance) P-C4' energy: -57.912 flat angles C4'-P-C4' energy: -66.215 flat angles P-C4'-P energy: -41.883 tors. eta vs tors. theta energy: -12.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -319.163077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.163077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.163077 (E_RNA) where: Base-Base interactions energy: -105.686 where: short stacking energy: -101.662 Base-Backbone interact. energy: -0.381 local terms energy: -213.096113 where: bonds (distance) C4'-P energy: -57.398 bonds (distance) P-C4' energy: -49.466 flat angles C4'-P-C4' energy: -70.158 flat angles P-C4'-P energy: -35.330 tors. eta vs tors. theta energy: -0.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1371.854687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.854687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.854687 (E_RNA) where: Base-Base interactions energy: -920.927 where: short stacking energy: -416.985 Base-Backbone interact. energy: -0.712 local terms energy: -450.215823 where: bonds (distance) C4'-P energy: -71.643 bonds (distance) P-C4' energy: -86.908 flat angles C4'-P-C4' energy: -101.206 flat angles P-C4'-P energy: -59.221 tors. eta vs tors. theta energy: -131.238 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: 7 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1293.792715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.792715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.792715 (E_RNA) where: Base-Base interactions energy: -886.360 where: short stacking energy: -384.351 Base-Backbone interact. energy: 0.717 local terms energy: -408.149781 where: bonds (distance) C4'-P energy: -73.761 bonds (distance) P-C4' energy: -72.277 flat angles C4'-P-C4' energy: -90.437 flat angles P-C4'-P energy: -59.505 tors. eta vs tors. theta energy: -112.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1213.236238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.236238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.236238 (E_RNA) where: Base-Base interactions energy: -808.377 where: short stacking energy: -385.033 Base-Backbone interact. energy: 0.085 local terms energy: -404.943522 where: bonds (distance) C4'-P energy: -70.048 bonds (distance) P-C4' energy: -74.583 flat angles C4'-P-C4' energy: -87.767 flat angles P-C4'-P energy: -59.968 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: 4, replica: 2 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1051.490674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.490674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.490674 (E_RNA) where: Base-Base interactions energy: -680.435 where: short stacking energy: -322.372 Base-Backbone interact. energy: -0.823 local terms energy: -370.233002 where: bonds (distance) C4'-P energy: -64.137 bonds (distance) P-C4' energy: -76.587 flat angles C4'-P-C4' energy: -81.671 flat angles P-C4'-P energy: -50.792 tors. eta vs tors. theta energy: -97.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -996.199511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.199511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.199511 (E_RNA) where: Base-Base interactions energy: -648.658 where: short stacking energy: -296.318 Base-Backbone interact. energy: -1.888 local terms energy: -345.653760 where: bonds (distance) C4'-P energy: -69.660 bonds (distance) P-C4' energy: -82.543 flat angles C4'-P-C4' energy: -72.828 flat angles P-C4'-P energy: -51.614 tors. eta vs tors. theta energy: -69.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -786.040702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.040702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.040702 (E_RNA) where: Base-Base interactions energy: -487.352 where: short stacking energy: -240.358 Base-Backbone interact. energy: -0.878 local terms energy: -297.811006 where: bonds (distance) C4'-P energy: -63.256 bonds (distance) P-C4' energy: -75.185 flat angles C4'-P-C4' energy: -71.004 flat angles P-C4'-P energy: -39.776 tors. eta vs tors. theta energy: -48.589 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: 7, replica: 3 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -680.752690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.752690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.752690 (E_RNA) where: Base-Base interactions energy: -388.447 where: short stacking energy: -207.604 Base-Backbone interact. energy: -0.474 local terms energy: -291.831846 where: bonds (distance) C4'-P energy: -64.218 bonds (distance) P-C4' energy: -74.510 flat angles C4'-P-C4' energy: -71.946 flat angles P-C4'-P energy: -42.003 tors. eta vs tors. theta energy: -39.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -542.461537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.461537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.461537 (E_RNA) where: Base-Base interactions energy: -283.438 where: short stacking energy: -169.561 Base-Backbone interact. energy: 2.549 local terms energy: -261.572364 where: bonds (distance) C4'-P energy: -68.619 bonds (distance) P-C4' energy: -69.761 flat angles C4'-P-C4' energy: -55.809 flat angles P-C4'-P energy: -39.728 tors. eta vs tors. theta energy: -27.656 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: 5 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -444.883763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.883763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.883763 (E_RNA) where: Base-Base interactions energy: -221.103 where: short stacking energy: -128.800 Base-Backbone interact. energy: 2.864 local terms energy: -226.644708 where: bonds (distance) C4'-P energy: -56.382 bonds (distance) P-C4' energy: -68.166 flat angles C4'-P-C4' energy: -77.544 flat angles P-C4'-P energy: -30.361 tors. eta vs tors. theta energy: 5.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -381.378319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.378319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.378319 (E_RNA) where: Base-Base interactions energy: -184.380 where: short stacking energy: -144.166 Base-Backbone interact. energy: 0.815 local terms energy: -197.812598 where: bonds (distance) C4'-P energy: -51.133 bonds (distance) P-C4' energy: -61.071 flat angles C4'-P-C4' energy: -50.112 flat angles P-C4'-P energy: -28.322 tors. eta vs tors. theta energy: -7.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1372.937072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.937072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.937072 (E_RNA) where: Base-Base interactions energy: -924.116 where: short stacking energy: -420.968 Base-Backbone interact. energy: -0.306 local terms energy: -448.515775 where: bonds (distance) C4'-P energy: -88.813 bonds (distance) P-C4' energy: -76.815 flat angles C4'-P-C4' energy: -98.529 flat angles P-C4'-P energy: -59.354 tors. eta vs tors. theta energy: -125.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1282.938926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.938926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.938926 (E_RNA) where: Base-Base interactions energy: -883.869 where: short stacking energy: -371.578 Base-Backbone interact. energy: -0.433 local terms energy: -398.637103 where: bonds (distance) C4'-P energy: -83.622 bonds (distance) P-C4' energy: -74.007 flat angles C4'-P-C4' energy: -88.246 flat angles P-C4'-P energy: -50.040 tors. eta vs tors. theta energy: -102.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1208.943938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.943938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.943938 (E_RNA) where: Base-Base interactions energy: -806.666 where: short stacking energy: -359.211 Base-Backbone interact. energy: -0.023 local terms energy: -402.255240 where: bonds (distance) C4'-P energy: -64.980 bonds (distance) P-C4' energy: -81.630 flat angles C4'-P-C4' energy: -89.621 flat angles P-C4'-P energy: -60.990 tors. eta vs tors. theta energy: -105.034 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: 2 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1023.941423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.941423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.941423 (E_RNA) where: Base-Base interactions energy: -671.737 where: short stacking energy: -311.405 Base-Backbone interact. energy: -0.415 local terms energy: -351.790179 where: bonds (distance) C4'-P energy: -65.817 bonds (distance) P-C4' energy: -66.679 flat angles C4'-P-C4' energy: -78.782 flat angles P-C4'-P energy: -56.229 tors. eta vs tors. theta energy: -84.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -960.962746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.962746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.962746 (E_RNA) where: Base-Base interactions energy: -618.836 where: short stacking energy: -283.767 Base-Backbone interact. energy: -3.836 local terms energy: -338.291172 where: bonds (distance) C4'-P energy: -79.030 bonds (distance) P-C4' energy: -71.239 flat angles C4'-P-C4' energy: -74.745 flat angles P-C4'-P energy: -44.381 tors. eta vs tors. theta energy: -68.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -795.227707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.227707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.227707 (E_RNA) where: Base-Base interactions energy: -494.797 where: short stacking energy: -248.211 Base-Backbone interact. energy: -0.092 local terms energy: -300.338483 where: bonds (distance) C4'-P energy: -74.133 bonds (distance) P-C4' energy: -62.650 flat angles C4'-P-C4' energy: -72.222 flat angles P-C4'-P energy: -38.019 tors. eta vs tors. theta energy: -53.314 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: 161 Temperature: 1.200000 Total energy: -694.170737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.170737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.170737 (E_RNA) where: Base-Base interactions energy: -397.648 where: short stacking energy: -214.956 Base-Backbone interact. energy: -1.646 local terms energy: -294.876250 where: bonds (distance) C4'-P energy: -61.116 bonds (distance) P-C4' energy: -64.404 flat angles C4'-P-C4' energy: -63.618 flat angles P-C4'-P energy: -51.697 tors. eta vs tors. theta energy: -54.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -548.357974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.357974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.357974 (E_RNA) where: Base-Base interactions energy: -311.564 where: short stacking energy: -179.427 Base-Backbone interact. energy: 0.381 local terms energy: -237.174975 where: bonds (distance) C4'-P energy: -49.859 bonds (distance) P-C4' energy: -78.965 flat angles C4'-P-C4' energy: -55.564 flat angles P-C4'-P energy: -32.432 tors. eta vs tors. theta energy: -20.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -447.407232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.407232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.407232 (E_RNA) where: Base-Base interactions energy: -229.675 where: short stacking energy: -134.665 Base-Backbone interact. energy: 0.713 local terms energy: -218.444617 where: bonds (distance) C4'-P energy: -56.905 bonds (distance) P-C4' energy: -62.237 flat angles C4'-P-C4' energy: -64.997 flat angles P-C4'-P energy: -35.429 tors. eta vs tors. theta energy: 1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -308.460553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.460553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.460553 (E_RNA) where: Base-Base interactions energy: -120.738 where: short stacking energy: -106.515 Base-Backbone interact. energy: -0.784 local terms energy: -186.938690 where: bonds (distance) C4'-P energy: -52.954 bonds (distance) P-C4' energy: -62.814 flat angles C4'-P-C4' energy: -43.910 flat angles P-C4'-P energy: -38.130 tors. eta vs tors. theta energy: 10.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1378.445564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.445564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.445564 (E_RNA) where: Base-Base interactions energy: -929.865 where: short stacking energy: -415.445 Base-Backbone interact. energy: -2.165 local terms energy: -446.415472 where: bonds (distance) C4'-P energy: -77.986 bonds (distance) P-C4' energy: -89.532 flat angles C4'-P-C4' energy: -90.232 flat angles P-C4'-P energy: -66.438 tors. eta vs tors. theta energy: -122.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1275.171548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.171548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.171548 (E_RNA) where: Base-Base interactions energy: -873.023 where: short stacking energy: -387.133 Base-Backbone interact. energy: -1.461 local terms energy: -400.687681 where: bonds (distance) C4'-P energy: -85.486 bonds (distance) P-C4' energy: -62.214 flat angles C4'-P-C4' energy: -92.021 flat angles P-C4'-P energy: -50.205 tors. eta vs tors. theta energy: -110.761 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: 9 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1221.919562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.919562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.919562 (E_RNA) where: Base-Base interactions energy: -822.526 where: short stacking energy: -353.094 Base-Backbone interact. energy: -5.174 local terms energy: -394.219634 where: bonds (distance) C4'-P energy: -73.016 bonds (distance) P-C4' energy: -76.133 flat angles C4'-P-C4' energy: -77.107 flat angles P-C4'-P energy: -66.064 tors. eta vs tors. theta energy: -101.899 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: 2 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1008.371552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.371552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.371552 (E_RNA) where: Base-Base interactions energy: -666.827 where: short stacking energy: -318.659 Base-Backbone interact. energy: -1.359 local terms energy: -340.185339 where: bonds (distance) C4'-P energy: -61.106 bonds (distance) P-C4' energy: -76.185 flat angles C4'-P-C4' energy: -72.475 flat angles P-C4'-P energy: -53.076 tors. eta vs tors. theta energy: -77.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1072.125434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.125434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.125434 (E_RNA) where: Base-Base interactions energy: -719.205 where: short stacking energy: -338.532 Base-Backbone interact. energy: -1.454 local terms energy: -351.466663 where: bonds (distance) C4'-P energy: -60.707 bonds (distance) P-C4' energy: -77.615 flat angles C4'-P-C4' energy: -74.991 flat angles P-C4'-P energy: -47.457 tors. eta vs tors. theta energy: -90.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -806.758971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.758971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.758971 (E_RNA) where: Base-Base interactions energy: -499.770 where: short stacking energy: -234.751 Base-Backbone interact. energy: -2.579 local terms energy: -304.410282 where: bonds (distance) C4'-P energy: -72.510 bonds (distance) P-C4' energy: -67.248 flat angles C4'-P-C4' energy: -73.822 flat angles P-C4'-P energy: -36.433 tors. eta vs tors. theta energy: -54.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -650.077173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.077173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.077173 (E_RNA) where: Base-Base interactions energy: -395.149 where: short stacking energy: -188.095 Base-Backbone interact. energy: 0.971 local terms energy: -255.899075 where: bonds (distance) C4'-P energy: -64.429 bonds (distance) P-C4' energy: -60.926 flat angles C4'-P-C4' energy: -53.351 flat angles P-C4'-P energy: -40.665 tors. eta vs tors. theta energy: -36.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -540.953585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.953585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.953585 (E_RNA) where: Base-Base interactions energy: -270.211 where: short stacking energy: -165.650 Base-Backbone interact. energy: -0.510 local terms energy: -270.232222 where: bonds (distance) C4'-P energy: -62.131 bonds (distance) P-C4' energy: -72.560 flat angles C4'-P-C4' energy: -67.187 flat angles P-C4'-P energy: -46.811 tors. eta vs tors. theta energy: -21.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -469.514081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.514081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.514081 (E_RNA) where: Base-Base interactions energy: -248.749 where: short stacking energy: -136.181 Base-Backbone interact. energy: -0.394 local terms energy: -220.371295 where: bonds (distance) C4'-P energy: -59.185 bonds (distance) P-C4' energy: -53.691 flat angles C4'-P-C4' energy: -66.676 flat angles P-C4'-P energy: -45.050 tors. eta vs tors. theta energy: 4.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -313.996409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.996409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.996409 (E_RNA) where: Base-Base interactions energy: -120.408 where: short stacking energy: -101.646 Base-Backbone interact. energy: 0.340 local terms energy: -193.927893 where: bonds (distance) C4'-P energy: -65.812 bonds (distance) P-C4' energy: -67.381 flat angles C4'-P-C4' energy: -42.600 flat angles P-C4'-P energy: -27.703 tors. eta vs tors. theta energy: 9.568 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: 1, replica: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1392.058607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.058607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.058607 (E_RNA) where: Base-Base interactions energy: -948.611 where: short stacking energy: -431.488 Base-Backbone interact. energy: -1.001 local terms energy: -442.447166 where: bonds (distance) C4'-P energy: -87.835 bonds (distance) P-C4' energy: -88.313 flat angles C4'-P-C4' energy: -82.141 flat angles P-C4'-P energy: -52.378 tors. eta vs tors. theta energy: -131.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1290.664516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.664516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.664516 (E_RNA) where: Base-Base interactions energy: -883.890 where: short stacking energy: -385.925 Base-Backbone interact. energy: -0.184 local terms energy: -406.590368 where: bonds (distance) C4'-P energy: -71.869 bonds (distance) P-C4' energy: -79.980 flat angles C4'-P-C4' energy: -90.440 flat angles P-C4'-P energy: -60.151 tors. eta vs tors. theta energy: -104.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1208.581174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.581174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.581174 (E_RNA) where: Base-Base interactions energy: -793.383 where: short stacking energy: -374.083 Base-Backbone interact. energy: -1.396 local terms energy: -413.801618 where: bonds (distance) C4'-P energy: -81.480 bonds (distance) P-C4' energy: -70.197 flat angles C4'-P-C4' energy: -88.864 flat angles P-C4'-P energy: -66.324 tors. eta vs tors. theta energy: -106.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1070.475278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.475278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.475278 (E_RNA) where: Base-Base interactions energy: -711.463 where: short stacking energy: -329.364 Base-Backbone interact. energy: -0.990 local terms energy: -358.022753 where: bonds (distance) C4'-P energy: -68.575 bonds (distance) P-C4' energy: -70.984 flat angles C4'-P-C4' energy: -80.400 flat angles P-C4'-P energy: -49.186 tors. eta vs tors. theta energy: -88.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1051.764771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.764771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.764771 (E_RNA) where: Base-Base interactions energy: -704.832 where: short stacking energy: -300.894 Base-Backbone interact. energy: 0.930 local terms energy: -347.862670 where: bonds (distance) C4'-P energy: -73.554 bonds (distance) P-C4' energy: -72.337 flat angles C4'-P-C4' energy: -69.088 flat angles P-C4'-P energy: -54.690 tors. eta vs tors. theta energy: -78.195 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: 4 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -842.705273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.705273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.705273 (E_RNA) where: Base-Base interactions energy: -519.455 where: short stacking energy: -258.368 Base-Backbone interact. energy: 0.261 local terms energy: -323.512004 where: bonds (distance) C4'-P energy: -67.221 bonds (distance) P-C4' energy: -69.724 flat angles C4'-P-C4' energy: -74.711 flat angles P-C4'-P energy: -43.729 tors. eta vs tors. theta energy: -68.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -666.653769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.653769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.653769 (E_RNA) where: Base-Base interactions energy: -372.782 where: short stacking energy: -194.982 Base-Backbone interact. energy: 0.247 local terms energy: -294.118574 where: bonds (distance) C4'-P energy: -61.467 bonds (distance) P-C4' energy: -78.519 flat angles C4'-P-C4' energy: -72.560 flat angles P-C4'-P energy: -45.128 tors. eta vs tors. theta energy: -36.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -545.556765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.556765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.556765 (E_RNA) where: Base-Base interactions energy: -270.013 where: short stacking energy: -162.557 Base-Backbone interact. energy: -1.409 local terms energy: -274.134619 where: bonds (distance) C4'-P energy: -71.819 bonds (distance) P-C4' energy: -80.066 flat angles C4'-P-C4' energy: -66.132 flat angles P-C4'-P energy: -33.541 tors. eta vs tors. theta energy: -22.576 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: 5 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -472.774390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.774390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.774390 (E_RNA) where: Base-Base interactions energy: -221.367 where: short stacking energy: -134.436 Base-Backbone interact. energy: -2.339 local terms energy: -249.068451 where: bonds (distance) C4'-P energy: -60.022 bonds (distance) P-C4' energy: -70.662 flat angles C4'-P-C4' energy: -63.152 flat angles P-C4'-P energy: -37.542 tors. eta vs tors. theta energy: -17.691 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: 163 Temperature: 1.350000 Total energy: -386.583821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.583821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.583821 (E_RNA) where: Base-Base interactions energy: -145.680 where: short stacking energy: -109.627 Base-Backbone interact. energy: -1.089 local terms energy: -239.815260 where: bonds (distance) C4'-P energy: -71.599 bonds (distance) P-C4' energy: -82.344 flat angles C4'-P-C4' energy: -56.724 flat angles P-C4'-P energy: -33.658 tors. eta vs tors. theta energy: 4.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1353.554426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.554426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.554426 (E_RNA) where: Base-Base interactions energy: -907.851 where: short stacking energy: -426.830 Base-Backbone interact. energy: -1.386 local terms energy: -444.316946 where: bonds (distance) C4'-P energy: -78.992 bonds (distance) P-C4' energy: -85.639 flat angles C4'-P-C4' energy: -91.793 flat angles P-C4'-P energy: -59.800 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: 2, replica: 7 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1277.565210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.565210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.565210 (E_RNA) where: Base-Base interactions energy: -863.627 where: short stacking energy: -363.398 Base-Backbone interact. energy: -1.267 local terms energy: -412.671217 where: bonds (distance) C4'-P energy: -77.084 bonds (distance) P-C4' energy: -88.686 flat angles C4'-P-C4' energy: -88.216 flat angles P-C4'-P energy: -56.776 tors. eta vs tors. theta energy: -101.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1225.744195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.744195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.744195 (E_RNA) where: Base-Base interactions energy: -798.819 where: short stacking energy: -367.519 Base-Backbone interact. energy: -1.703 local terms energy: -425.222067 where: bonds (distance) C4'-P energy: -78.783 bonds (distance) P-C4' energy: -82.480 flat angles C4'-P-C4' energy: -92.328 flat angles P-C4'-P energy: -59.381 tors. eta vs tors. theta energy: -112.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1076.663859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.663859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.663859 (E_RNA) where: Base-Base interactions energy: -708.066 where: short stacking energy: -322.659 Base-Backbone interact. energy: -1.242 local terms energy: -367.355807 where: bonds (distance) C4'-P energy: -74.866 bonds (distance) P-C4' energy: -75.095 flat angles C4'-P-C4' energy: -82.355 flat angles P-C4'-P energy: -59.173 tors. eta vs tors. theta energy: -75.867 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: 2 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1031.261263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.261263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.261263 (E_RNA) where: Base-Base interactions energy: -699.712 where: short stacking energy: -309.478 Base-Backbone interact. energy: 1.873 local terms energy: -333.422878 where: bonds (distance) C4'-P energy: -67.886 bonds (distance) P-C4' energy: -71.628 flat angles C4'-P-C4' energy: -69.394 flat angles P-C4'-P energy: -47.526 tors. eta vs tors. theta energy: -76.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -820.184785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.184785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.184785 (E_RNA) where: Base-Base interactions energy: -516.260 where: short stacking energy: -260.920 Base-Backbone interact. energy: -0.348 local terms energy: -303.576857 where: bonds (distance) C4'-P energy: -71.381 bonds (distance) P-C4' energy: -68.403 flat angles C4'-P-C4' energy: -74.195 flat angles P-C4'-P energy: -39.224 tors. eta vs tors. theta energy: -50.374 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: 164 Temperature: 1.200000 Total energy: -662.265371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.265371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.265371 (E_RNA) where: Base-Base interactions energy: -368.752 where: short stacking energy: -209.406 Base-Backbone interact. energy: 0.834 local terms energy: -294.347740 where: bonds (distance) C4'-P energy: -53.372 bonds (distance) P-C4' energy: -78.135 flat angles C4'-P-C4' energy: -66.502 flat angles P-C4'-P energy: -53.715 tors. eta vs tors. theta energy: -42.624 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: 6 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -554.958291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.958291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.958291 (E_RNA) where: Base-Base interactions energy: -275.920 where: short stacking energy: -164.127 Base-Backbone interact. energy: -0.896 local terms energy: -278.142887 where: bonds (distance) C4'-P energy: -75.565 bonds (distance) P-C4' energy: -75.439 flat angles C4'-P-C4' energy: -58.859 flat angles P-C4'-P energy: -49.674 tors. eta vs tors. theta energy: -18.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -509.982468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.982468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.982468 (E_RNA) where: Base-Base interactions energy: -271.053 where: short stacking energy: -137.971 Base-Backbone interact. energy: 1.727 local terms energy: -240.655515 where: bonds (distance) C4'-P energy: -57.566 bonds (distance) P-C4' energy: -72.833 flat angles C4'-P-C4' energy: -65.896 flat angles P-C4'-P energy: -35.961 tors. eta vs tors. theta energy: -8.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -386.091904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.091904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.091904 (E_RNA) where: Base-Base interactions energy: -192.304 where: short stacking energy: -128.134 Base-Backbone interact. energy: -1.065 local terms energy: -192.723314 where: bonds (distance) C4'-P energy: -45.806 bonds (distance) P-C4' energy: -68.600 flat angles C4'-P-C4' energy: -62.763 flat angles P-C4'-P energy: -26.551 tors. eta vs tors. theta energy: 10.997 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: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1345.767952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.767952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.767952 (E_RNA) where: Base-Base interactions energy: -917.658 where: short stacking energy: -418.454 Base-Backbone interact. energy: -1.634 local terms energy: -426.476341 where: bonds (distance) C4'-P energy: -69.168 bonds (distance) P-C4' energy: -82.238 flat angles C4'-P-C4' energy: -88.897 flat angles P-C4'-P energy: -61.672 tors. eta vs tors. theta energy: -124.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1224.270491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.270491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.270491 (E_RNA) where: Base-Base interactions energy: -809.557 where: short stacking energy: -398.102 Base-Backbone interact. energy: -0.683 local terms energy: -414.030997 where: bonds (distance) C4'-P energy: -73.194 bonds (distance) P-C4' energy: -74.384 flat angles C4'-P-C4' energy: -87.892 flat angles P-C4'-P energy: -60.735 tors. eta vs tors. theta energy: -117.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1251.674756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.674756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.674756 (E_RNA) where: Base-Base interactions energy: -852.516 where: short stacking energy: -370.759 Base-Backbone interact. energy: -0.215 local terms energy: -398.943802 where: bonds (distance) C4'-P energy: -82.380 bonds (distance) P-C4' energy: -70.143 flat angles C4'-P-C4' energy: -87.276 flat angles P-C4'-P energy: -48.974 tors. eta vs tors. theta energy: -110.171 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: 1 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1079.456191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.456191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.456191 (E_RNA) where: Base-Base interactions energy: -722.489 where: short stacking energy: -327.098 Base-Backbone interact. energy: -2.041 local terms energy: -354.926156 where: bonds (distance) C4'-P energy: -61.573 bonds (distance) P-C4' energy: -66.994 flat angles C4'-P-C4' energy: -78.094 flat angles P-C4'-P energy: -61.316 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: 5, replica: 2 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1045.778664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.778664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.778664 (E_RNA) where: Base-Base interactions energy: -688.073 where: short stacking energy: -307.485 Base-Backbone interact. energy: 2.911 local terms energy: -360.616782 where: bonds (distance) C4'-P energy: -67.451 bonds (distance) P-C4' energy: -75.970 flat angles C4'-P-C4' energy: -82.512 flat angles P-C4'-P energy: -55.675 tors. eta vs tors. theta energy: -79.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -797.835318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.835318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.835318 (E_RNA) where: Base-Base interactions energy: -499.521 where: short stacking energy: -240.705 Base-Backbone interact. energy: -0.066 local terms energy: -298.247795 where: bonds (distance) C4'-P energy: -66.778 bonds (distance) P-C4' energy: -62.788 flat angles C4'-P-C4' energy: -73.880 flat angles P-C4'-P energy: -42.104 tors. eta vs tors. theta energy: -52.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -634.045271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.045271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.045271 (E_RNA) where: Base-Base interactions energy: -358.417 where: short stacking energy: -189.950 Base-Backbone interact. energy: -0.070 local terms energy: -275.558039 where: bonds (distance) C4'-P energy: -67.924 bonds (distance) P-C4' energy: -74.306 flat angles C4'-P-C4' energy: -65.309 flat angles P-C4'-P energy: -39.007 tors. eta vs tors. theta energy: -29.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -544.581002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.581002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.581002 (E_RNA) where: Base-Base interactions energy: -276.519 where: short stacking energy: -155.286 Base-Backbone interact. energy: 2.292 local terms energy: -270.354196 where: bonds (distance) C4'-P energy: -68.957 bonds (distance) P-C4' energy: -64.183 flat angles C4'-P-C4' energy: -79.017 flat angles P-C4'-P energy: -43.082 tors. eta vs tors. theta energy: -15.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -470.476456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.476456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.476456 (E_RNA) where: Base-Base interactions energy: -241.162 where: short stacking energy: -135.554 Base-Backbone interact. energy: 0.219 local terms energy: -229.532987 where: bonds (distance) C4'-P energy: -62.849 bonds (distance) P-C4' energy: -60.275 flat angles C4'-P-C4' energy: -46.457 flat angles P-C4'-P energy: -46.090 tors. eta vs tors. theta energy: -13.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -410.765710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.765710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.765710 (E_RNA) where: Base-Base interactions energy: -179.172 where: short stacking energy: -129.365 Base-Backbone interact. energy: -1.196 local terms energy: -230.398582 where: bonds (distance) C4'-P energy: -66.557 bonds (distance) P-C4' energy: -75.313 flat angles C4'-P-C4' energy: -49.223 flat angles P-C4'-P energy: -34.826 tors. eta vs tors. theta energy: -4.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1346.557772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.557772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.557772 (E_RNA) where: Base-Base interactions energy: -889.248 where: short stacking energy: -413.209 Base-Backbone interact. energy: -0.257 local terms energy: -457.052348 where: bonds (distance) C4'-P energy: -84.407 bonds (distance) P-C4' energy: -86.268 flat angles C4'-P-C4' energy: -100.069 flat angles P-C4'-P energy: -60.510 tors. eta vs tors. theta energy: -125.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1242.845092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.845092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.845092 (E_RNA) where: Base-Base interactions energy: -828.281 where: short stacking energy: -390.037 Base-Backbone interact. energy: -0.863 local terms energy: -413.700740 where: bonds (distance) C4'-P energy: -77.969 bonds (distance) P-C4' energy: -74.195 flat angles C4'-P-C4' energy: -90.761 flat angles P-C4'-P energy: -63.271 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: 3, replica: 7 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1264.667762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.667762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.667762 (E_RNA) where: Base-Base interactions energy: -860.915 where: short stacking energy: -371.752 Base-Backbone interact. energy: 0.407 local terms energy: -404.159676 where: bonds (distance) C4'-P energy: -62.142 bonds (distance) P-C4' energy: -86.413 flat angles C4'-P-C4' energy: -81.591 flat angles P-C4'-P energy: -61.357 tors. eta vs tors. theta energy: -112.657 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: 1 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1102.072775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.072775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.072775 (E_RNA) where: Base-Base interactions energy: -727.534 where: short stacking energy: -343.673 Base-Backbone interact. energy: -2.054 local terms energy: -372.484673 where: bonds (distance) C4'-P energy: -73.616 bonds (distance) P-C4' energy: -76.550 flat angles C4'-P-C4' energy: -75.984 flat angles P-C4'-P energy: -53.663 tors. eta vs tors. theta energy: -92.671 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: 2 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1064.823639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.823639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.823639 (E_RNA) where: Base-Base interactions energy: -722.597 where: short stacking energy: -316.110 Base-Backbone interact. energy: -1.842 local terms energy: -340.385077 where: bonds (distance) C4'-P energy: -76.149 bonds (distance) P-C4' energy: -70.882 flat angles C4'-P-C4' energy: -69.959 flat angles P-C4'-P energy: -47.385 tors. eta vs tors. theta energy: -76.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -821.847406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.847406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.847406 (E_RNA) where: Base-Base interactions energy: -519.111 where: short stacking energy: -250.137 Base-Backbone interact. energy: -1.563 local terms energy: -301.173811 where: bonds (distance) C4'-P energy: -65.087 bonds (distance) P-C4' energy: -74.588 flat angles C4'-P-C4' energy: -69.196 flat angles P-C4'-P energy: -43.573 tors. eta vs tors. theta energy: -48.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -633.702868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.702868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.702868 (E_RNA) where: Base-Base interactions energy: -348.605 where: short stacking energy: -209.212 Base-Backbone interact. energy: -0.194 local terms energy: -284.903452 where: bonds (distance) C4'-P energy: -70.516 bonds (distance) P-C4' energy: -67.520 flat angles C4'-P-C4' energy: -59.701 flat angles P-C4'-P energy: -50.049 tors. eta vs tors. theta energy: -37.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -533.824909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.824909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.824909 (E_RNA) where: Base-Base interactions energy: -291.677 where: short stacking energy: -184.607 Base-Backbone interact. energy: 1.870 local terms energy: -244.017738 where: bonds (distance) C4'-P energy: -62.902 bonds (distance) P-C4' energy: -74.432 flat angles C4'-P-C4' energy: -55.332 flat angles P-C4'-P energy: -32.697 tors. eta vs tors. theta energy: -18.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -489.210266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.210266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.210266 (E_RNA) where: Base-Base interactions energy: -235.010 where: short stacking energy: -125.074 Base-Backbone interact. energy: 0.106 local terms energy: -254.306638 where: bonds (distance) C4'-P energy: -62.425 bonds (distance) P-C4' energy: -79.588 flat angles C4'-P-C4' energy: -62.539 flat angles P-C4'-P energy: -39.517 tors. eta vs tors. theta energy: -10.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -328.937246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.937246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.937246 (E_RNA) where: Base-Base interactions energy: -100.127 where: short stacking energy: -74.138 Base-Backbone interact. energy: -0.379 local terms energy: -228.432238 where: bonds (distance) C4'-P energy: -77.482 bonds (distance) P-C4' energy: -72.292 flat angles C4'-P-C4' energy: -57.027 flat angles P-C4'-P energy: -44.817 tors. eta vs tors. theta energy: 23.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1347.004762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.004762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.004762 (E_RNA) where: Base-Base interactions energy: -895.729 where: short stacking energy: -424.214 Base-Backbone interact. energy: 0.584 local terms energy: -451.860173 where: bonds (distance) C4'-P energy: -75.411 bonds (distance) P-C4' energy: -78.797 flat angles C4'-P-C4' energy: -95.966 flat angles P-C4'-P energy: -69.683 tors. eta vs tors. theta energy: -132.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1234.377717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.377717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.377717 (E_RNA) where: Base-Base interactions energy: -813.626 where: short stacking energy: -384.719 Base-Backbone interact. energy: -1.371 local terms energy: -419.380172 where: bonds (distance) C4'-P energy: -71.493 bonds (distance) P-C4' energy: -78.102 flat angles C4'-P-C4' energy: -87.424 flat angles P-C4'-P energy: -64.455 tors. eta vs tors. theta energy: -117.907 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: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1221.738729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.738729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.738729 (E_RNA) where: Base-Base interactions energy: -818.373 where: short stacking energy: -372.195 Base-Backbone interact. energy: -2.097 local terms energy: -401.269021 where: bonds (distance) C4'-P energy: -69.651 bonds (distance) P-C4' energy: -74.048 flat angles C4'-P-C4' energy: -87.141 flat angles P-C4'-P energy: -59.247 tors. eta vs tors. theta energy: -111.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1095.492034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.492034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.492034 (E_RNA) where: Base-Base interactions energy: -719.344 where: short stacking energy: -319.826 Base-Backbone interact. energy: -2.440 local terms energy: -373.708274 where: bonds (distance) C4'-P energy: -72.721 bonds (distance) P-C4' energy: -73.676 flat angles C4'-P-C4' energy: -76.516 flat angles P-C4'-P energy: -55.781 tors. eta vs tors. theta energy: -95.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1044.178854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.178854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.178854 (E_RNA) where: Base-Base interactions energy: -686.231 where: short stacking energy: -304.716 Base-Backbone interact. energy: -1.566 local terms energy: -356.381801 where: bonds (distance) C4'-P energy: -79.798 bonds (distance) P-C4' energy: -69.879 flat angles C4'-P-C4' energy: -77.404 flat angles P-C4'-P energy: -52.488 tors. eta vs tors. theta energy: -76.813 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: 4 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -839.163378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.163378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.163378 (E_RNA) where: Base-Base interactions energy: -496.897 where: short stacking energy: -257.000 Base-Backbone interact. energy: -0.032 local terms energy: -342.234705 where: bonds (distance) C4'-P energy: -77.676 bonds (distance) P-C4' energy: -69.166 flat angles C4'-P-C4' energy: -80.876 flat angles P-C4'-P energy: -46.841 tors. eta vs tors. theta energy: -67.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -651.892598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.892598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.892598 (E_RNA) where: Base-Base interactions energy: -368.364 where: short stacking energy: -208.116 Base-Backbone interact. energy: -0.828 local terms energy: -282.700617 where: bonds (distance) C4'-P energy: -63.546 bonds (distance) P-C4' energy: -76.869 flat angles C4'-P-C4' energy: -63.994 flat angles P-C4'-P energy: -34.455 tors. eta vs tors. theta energy: -43.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -573.082650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.082650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.082650 (E_RNA) where: Base-Base interactions energy: -314.954 where: short stacking energy: -168.472 Base-Backbone interact. energy: -1.531 local terms energy: -256.597790 where: bonds (distance) C4'-P energy: -60.738 bonds (distance) P-C4' energy: -73.335 flat angles C4'-P-C4' energy: -80.797 flat angles P-C4'-P energy: -24.726 tors. eta vs tors. theta energy: -17.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -495.560868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.560868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.560868 (E_RNA) where: Base-Base interactions energy: -258.271 where: short stacking energy: -146.488 Base-Backbone interact. energy: -1.170 local terms energy: -236.120466 where: bonds (distance) C4'-P energy: -76.682 bonds (distance) P-C4' energy: -67.893 flat angles C4'-P-C4' energy: -57.245 flat angles P-C4'-P energy: -22.340 tors. eta vs tors. theta energy: -11.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -355.135241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.135241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.135241 (E_RNA) where: Base-Base interactions energy: -130.733 where: short stacking energy: -90.972 Base-Backbone interact. energy: 5.363 local terms energy: -229.765799 where: bonds (distance) C4'-P energy: -67.541 bonds (distance) P-C4' energy: -65.562 flat angles C4'-P-C4' energy: -66.981 flat angles P-C4'-P energy: -35.309 tors. eta vs tors. theta energy: 5.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1354.831579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.831579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.831579 (E_RNA) where: Base-Base interactions energy: -904.757 where: short stacking energy: -413.490 Base-Backbone interact. energy: -1.027 local terms energy: -449.047885 where: bonds (distance) C4'-P energy: -81.966 bonds (distance) P-C4' energy: -85.665 flat angles C4'-P-C4' energy: -89.325 flat angles P-C4'-P energy: -65.448 tors. eta vs tors. theta energy: -126.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1244.637609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.637609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.637609 (E_RNA) where: Base-Base interactions energy: -830.089 where: short stacking energy: -386.992 Base-Backbone interact. energy: -1.509 local terms energy: -413.039152 where: bonds (distance) C4'-P energy: -74.216 bonds (distance) P-C4' energy: -81.162 flat angles C4'-P-C4' energy: -92.177 flat angles P-C4'-P energy: -59.002 tors. eta vs tors. theta energy: -106.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1250.405191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.405191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.405191 (E_RNA) where: Base-Base interactions energy: -840.135 where: short stacking energy: -372.768 Base-Backbone interact. energy: -2.193 local terms energy: -408.077121 where: bonds (distance) C4'-P energy: -71.412 bonds (distance) P-C4' energy: -76.729 flat angles C4'-P-C4' energy: -94.172 flat angles P-C4'-P energy: -56.924 tors. eta vs tors. theta energy: -108.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1112.067295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.067295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.067295 (E_RNA) where: Base-Base interactions energy: -740.489 where: short stacking energy: -335.814 Base-Backbone interact. energy: -1.537 local terms energy: -370.041761 where: bonds (distance) C4'-P energy: -76.038 bonds (distance) P-C4' energy: -74.155 flat angles C4'-P-C4' energy: -72.739 flat angles P-C4'-P energy: -54.640 tors. eta vs tors. theta energy: -92.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -983.274348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.274348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.274348 (E_RNA) where: Base-Base interactions energy: -643.657 where: short stacking energy: -289.875 Base-Backbone interact. energy: -1.942 local terms energy: -337.675913 where: bonds (distance) C4'-P energy: -76.070 bonds (distance) P-C4' energy: -78.355 flat angles C4'-P-C4' energy: -71.604 flat angles P-C4'-P energy: -51.064 tors. eta vs tors. theta energy: -60.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -818.859851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.859851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.859851 (E_RNA) where: Base-Base interactions energy: -520.206 where: short stacking energy: -254.200 Base-Backbone interact. energy: 6.306 local terms energy: -304.959217 where: bonds (distance) C4'-P energy: -68.008 bonds (distance) P-C4' energy: -69.868 flat angles C4'-P-C4' energy: -67.256 flat angles P-C4'-P energy: -45.654 tors. eta vs tors. theta energy: -54.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -667.975665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.975665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.975665 (E_RNA) where: Base-Base interactions energy: -388.429 where: short stacking energy: -185.331 Base-Backbone interact. energy: 0.164 local terms energy: -279.711473 where: bonds (distance) C4'-P energy: -67.559 bonds (distance) P-C4' energy: -79.047 flat angles C4'-P-C4' energy: -64.945 flat angles P-C4'-P energy: -44.282 tors. eta vs tors. theta energy: -23.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -591.392459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.392459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.392459 (E_RNA) where: Base-Base interactions energy: -307.602 where: short stacking energy: -188.720 Base-Backbone interact. energy: -0.475 local terms energy: -283.315634 where: bonds (distance) C4'-P energy: -63.645 bonds (distance) P-C4' energy: -72.096 flat angles C4'-P-C4' energy: -71.662 flat angles P-C4'-P energy: -41.501 tors. eta vs tors. theta energy: -34.412 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: 5 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -489.029684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.029684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.029684 (E_RNA) where: Base-Base interactions energy: -224.005 where: short stacking energy: -139.976 Base-Backbone interact. energy: -1.106 local terms energy: -263.918585 where: bonds (distance) C4'-P energy: -64.233 bonds (distance) P-C4' energy: -76.190 flat angles C4'-P-C4' energy: -63.437 flat angles P-C4'-P energy: -45.441 tors. eta vs tors. theta energy: -14.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -317.986773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.986773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.986773 (E_RNA) where: Base-Base interactions energy: -124.827 where: short stacking energy: -102.991 Base-Backbone interact. energy: -0.393 local terms energy: -192.766857 where: bonds (distance) C4'-P energy: -59.975 bonds (distance) P-C4' energy: -63.425 flat angles C4'-P-C4' energy: -50.753 flat angles P-C4'-P energy: -38.728 tors. eta vs tors. theta energy: 20.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1375.326802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.326802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.326802 (E_RNA) where: Base-Base interactions energy: -925.865 where: short stacking energy: -409.736 Base-Backbone interact. energy: -1.105 local terms energy: -448.356450 where: bonds (distance) C4'-P energy: -83.602 bonds (distance) P-C4' energy: -89.080 flat angles C4'-P-C4' energy: -89.479 flat angles P-C4'-P energy: -64.556 tors. eta vs tors. theta energy: -121.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1236.916590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.916590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.916590 (E_RNA) where: Base-Base interactions energy: -804.938 where: short stacking energy: -380.648 Base-Backbone interact. energy: -1.693 local terms energy: -430.286028 where: bonds (distance) C4'-P energy: -85.527 bonds (distance) P-C4' energy: -78.695 flat angles C4'-P-C4' energy: -84.560 flat angles P-C4'-P energy: -64.957 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: 3, replica: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1244.360826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.360826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.360826 (E_RNA) where: Base-Base interactions energy: -857.000 where: short stacking energy: -364.053 Base-Backbone interact. energy: 1.236 local terms energy: -388.597553 where: bonds (distance) C4'-P energy: -79.503 bonds (distance) P-C4' energy: -71.057 flat angles C4'-P-C4' energy: -85.386 flat angles P-C4'-P energy: -56.145 tors. eta vs tors. theta energy: -96.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1184.972836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.972836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.972836 (E_RNA) where: Base-Base interactions energy: -811.915 where: short stacking energy: -343.797 Base-Backbone interact. energy: -2.101 local terms energy: -370.956352 where: bonds (distance) C4'-P energy: -68.386 bonds (distance) P-C4' energy: -83.262 flat angles C4'-P-C4' energy: -71.449 flat angles P-C4'-P energy: -46.746 tors. eta vs tors. theta energy: -101.113 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: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1015.671238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.671238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.671238 (E_RNA) where: Base-Base interactions energy: -641.148 where: short stacking energy: -305.011 Base-Backbone interact. energy: -3.812 local terms energy: -370.711970 where: bonds (distance) C4'-P energy: -81.441 bonds (distance) P-C4' energy: -76.024 flat angles C4'-P-C4' energy: -78.450 flat angles P-C4'-P energy: -65.095 tors. eta vs tors. theta energy: -69.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -874.349005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.349005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.349005 (E_RNA) where: Base-Base interactions energy: -574.486 where: short stacking energy: -274.561 Base-Backbone interact. energy: 0.063 local terms energy: -299.925891 where: bonds (distance) C4'-P energy: -73.937 bonds (distance) P-C4' energy: -69.914 flat angles C4'-P-C4' energy: -60.757 flat angles P-C4'-P energy: -38.064 tors. eta vs tors. theta energy: -57.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -702.759932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.759932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.759932 (E_RNA) where: Base-Base interactions energy: -410.836 where: short stacking energy: -218.499 Base-Backbone interact. energy: 1.873 local terms energy: -293.797455 where: bonds (distance) C4'-P energy: -80.711 bonds (distance) P-C4' energy: -73.210 flat angles C4'-P-C4' energy: -70.617 flat angles P-C4'-P energy: -36.037 tors. eta vs tors. theta energy: -33.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -539.588987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.588987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.588987 (E_RNA) where: Base-Base interactions energy: -285.960 where: short stacking energy: -161.755 Base-Backbone interact. energy: 0.642 local terms energy: -254.271500 where: bonds (distance) C4'-P energy: -64.046 bonds (distance) P-C4' energy: -74.871 flat angles C4'-P-C4' energy: -65.546 flat angles P-C4'-P energy: -42.388 tors. eta vs tors. theta energy: -7.420 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: 9, replica: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -507.275183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.275183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.275183 (E_RNA) where: Base-Base interactions energy: -260.615 where: short stacking energy: -139.154 Base-Backbone interact. energy: 0.912 local terms energy: -247.572945 where: bonds (distance) C4'-P energy: -71.835 bonds (distance) P-C4' energy: -75.915 flat angles C4'-P-C4' energy: -68.854 flat angles P-C4'-P energy: -28.677 tors. eta vs tors. theta energy: -2.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -327.822882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.822882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.822882 (E_RNA) where: Base-Base interactions energy: -116.164 where: short stacking energy: -100.031 Base-Backbone interact. energy: -2.449 local terms energy: -209.209472 where: bonds (distance) C4'-P energy: -72.988 bonds (distance) P-C4' energy: -66.877 flat angles C4'-P-C4' energy: -53.478 flat angles P-C4'-P energy: -28.719 tors. eta vs tors. theta energy: 12.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1356.596092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.596092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.596092 (E_RNA) where: Base-Base interactions energy: -916.614 where: short stacking energy: -407.999 Base-Backbone interact. energy: 0.082 local terms energy: -440.064366 where: bonds (distance) C4'-P energy: -83.063 bonds (distance) P-C4' energy: -84.052 flat angles C4'-P-C4' energy: -90.558 flat angles P-C4'-P energy: -62.380 tors. eta vs tors. theta energy: -120.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1257.922518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.922518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.922518 (E_RNA) where: Base-Base interactions energy: -826.258 where: short stacking energy: -387.433 Base-Backbone interact. energy: -1.842 local terms energy: -429.822797 where: bonds (distance) C4'-P energy: -73.089 bonds (distance) P-C4' energy: -82.714 flat angles C4'-P-C4' energy: -94.469 flat angles P-C4'-P energy: -64.820 tors. eta vs tors. theta energy: -114.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1237.566143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.566143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.566143 (E_RNA) where: Base-Base interactions energy: -858.972 where: short stacking energy: -372.621 Base-Backbone interact. energy: 2.154 local terms energy: -380.748601 where: bonds (distance) C4'-P energy: -73.109 bonds (distance) P-C4' energy: -70.091 flat angles C4'-P-C4' energy: -88.962 flat angles P-C4'-P energy: -50.957 tors. eta vs tors. theta energy: -97.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1135.974692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.974692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.974692 (E_RNA) where: Base-Base interactions energy: -748.573 where: short stacking energy: -330.653 Base-Backbone interact. energy: -2.262 local terms energy: -385.139445 where: bonds (distance) C4'-P energy: -71.755 bonds (distance) P-C4' energy: -76.640 flat angles C4'-P-C4' energy: -84.446 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: -96.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -976.275085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.275085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.275085 (E_RNA) where: Base-Base interactions energy: -620.418 where: short stacking energy: -287.167 Base-Backbone interact. energy: 0.030 local terms energy: -355.886614 where: bonds (distance) C4'-P energy: -70.308 bonds (distance) P-C4' energy: -76.804 flat angles C4'-P-C4' energy: -79.653 flat angles P-C4'-P energy: -59.868 tors. eta vs tors. theta energy: -69.252 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: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -930.296157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.296157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.296157 (E_RNA) where: Base-Base interactions energy: -591.972 where: short stacking energy: -288.939 Base-Backbone interact. energy: 3.695 local terms energy: -342.019229 where: bonds (distance) C4'-P energy: -67.630 bonds (distance) P-C4' energy: -65.811 flat angles C4'-P-C4' energy: -80.954 flat angles P-C4'-P energy: -48.462 tors. eta vs tors. theta energy: -79.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -710.079953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.079953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.079953 (E_RNA) where: Base-Base interactions energy: -410.048 where: short stacking energy: -223.608 Base-Backbone interact. energy: 1.358 local terms energy: -301.389605 where: bonds (distance) C4'-P energy: -66.158 bonds (distance) P-C4' energy: -76.408 flat angles C4'-P-C4' energy: -63.569 flat angles P-C4'-P energy: -45.239 tors. eta vs tors. theta energy: -50.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -551.691572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.691572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.691572 (E_RNA) where: Base-Base interactions energy: -285.628 where: short stacking energy: -171.090 Base-Backbone interact. energy: 1.286 local terms energy: -267.349021 where: bonds (distance) C4'-P energy: -60.743 bonds (distance) P-C4' energy: -76.610 flat angles C4'-P-C4' energy: -78.760 flat angles P-C4'-P energy: -42.372 tors. eta vs tors. theta energy: -8.864 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: 9, replica: 5 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -499.992929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.992929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.992929 (E_RNA) where: Base-Base interactions energy: -259.712 where: short stacking energy: -130.362 Base-Backbone interact. energy: -1.206 local terms energy: -239.074743 where: bonds (distance) C4'-P energy: -61.885 bonds (distance) P-C4' energy: -64.972 flat angles C4'-P-C4' energy: -65.117 flat angles P-C4'-P energy: -35.825 tors. eta vs tors. theta energy: -11.276 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: 10, replica: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -319.716710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.716710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.716710 (E_RNA) where: Base-Base interactions energy: -112.052 where: short stacking energy: -105.575 Base-Backbone interact. energy: 0.238 local terms energy: -207.903065 where: bonds (distance) C4'-P energy: -49.244 bonds (distance) P-C4' energy: -73.412 flat angles C4'-P-C4' energy: -55.694 flat angles P-C4'-P energy: -30.851 tors. eta vs tors. theta energy: 1.298 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: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1343.996726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.996726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.996726 (E_RNA) where: Base-Base interactions energy: -894.979 where: short stacking energy: -430.909 Base-Backbone interact. energy: -0.657 local terms energy: -448.360425 where: bonds (distance) C4'-P energy: -78.161 bonds (distance) P-C4' energy: -85.132 flat angles C4'-P-C4' energy: -90.029 flat angles P-C4'-P energy: -59.128 tors. eta vs tors. theta energy: -135.910 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: 7 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1266.064041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.064041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.064041 (E_RNA) where: Base-Base interactions energy: -866.423 where: short stacking energy: -383.406 Base-Backbone interact. energy: -0.442 local terms energy: -399.199557 where: bonds (distance) C4'-P energy: -78.244 bonds (distance) P-C4' energy: -58.603 flat angles C4'-P-C4' energy: -93.321 flat angles P-C4'-P energy: -56.623 tors. eta vs tors. theta energy: -112.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1223.995512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.995512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.995512 (E_RNA) where: Base-Base interactions energy: -817.472 where: short stacking energy: -392.070 Base-Backbone interact. energy: -1.938 local terms energy: -404.585272 where: bonds (distance) C4'-P energy: -77.907 bonds (distance) P-C4' energy: -78.984 flat angles C4'-P-C4' energy: -83.988 flat angles P-C4'-P energy: -51.187 tors. eta vs tors. theta energy: -112.521 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: 171 Temperature: 1.050000 Total energy: -1124.360082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.360082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.360082 (E_RNA) where: Base-Base interactions energy: -746.003 where: short stacking energy: -329.747 Base-Backbone interact. energy: -1.602 local terms energy: -376.755603 where: bonds (distance) C4'-P energy: -64.614 bonds (distance) P-C4' energy: -83.651 flat angles C4'-P-C4' energy: -78.556 flat angles P-C4'-P energy: -61.645 tors. eta vs tors. theta energy: -88.290 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: 1 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1024.398404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.398404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.398404 (E_RNA) where: Base-Base interactions energy: -674.440 where: short stacking energy: -321.772 Base-Backbone interact. energy: -3.616 local terms energy: -346.342896 where: bonds (distance) C4'-P energy: -73.317 bonds (distance) P-C4' energy: -73.749 flat angles C4'-P-C4' energy: -77.579 flat angles P-C4'-P energy: -41.283 tors. eta vs tors. theta energy: -80.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -865.821452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.821452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.821452 (E_RNA) where: Base-Base interactions energy: -551.531 where: short stacking energy: -284.932 Base-Backbone interact. energy: -0.348 local terms energy: -313.942727 where: bonds (distance) C4'-P energy: -53.117 bonds (distance) P-C4' energy: -59.364 flat angles C4'-P-C4' energy: -82.233 flat angles P-C4'-P energy: -52.587 tors. eta vs tors. theta energy: -66.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -674.509687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.509687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.509687 (E_RNA) where: Base-Base interactions energy: -399.130 where: short stacking energy: -201.244 Base-Backbone interact. energy: -2.443 local terms energy: -272.936547 where: bonds (distance) C4'-P energy: -52.238 bonds (distance) P-C4' energy: -65.870 flat angles C4'-P-C4' energy: -71.632 flat angles P-C4'-P energy: -48.883 tors. eta vs tors. theta energy: -34.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -557.835248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.835248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.835248 (E_RNA) where: Base-Base interactions energy: -289.162 where: short stacking energy: -173.555 Base-Backbone interact. energy: -2.159 local terms energy: -266.514568 where: bonds (distance) C4'-P energy: -69.982 bonds (distance) P-C4' energy: -71.370 flat angles C4'-P-C4' energy: -52.199 flat angles P-C4'-P energy: -35.834 tors. eta vs tors. theta energy: -37.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -503.502413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.502413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.502413 (E_RNA) where: Base-Base interactions energy: -261.778 where: short stacking energy: -136.136 Base-Backbone interact. energy: 0.201 local terms energy: -241.925702 where: bonds (distance) C4'-P energy: -66.652 bonds (distance) P-C4' energy: -64.401 flat angles C4'-P-C4' energy: -58.387 flat angles P-C4'-P energy: -40.122 tors. eta vs tors. theta energy: -12.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -331.059424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.059424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.059424 (E_RNA) where: Base-Base interactions energy: -119.989 where: short stacking energy: -111.262 Base-Backbone interact. energy: -0.634 local terms energy: -210.435937 where: bonds (distance) C4'-P energy: -65.384 bonds (distance) P-C4' energy: -57.236 flat angles C4'-P-C4' energy: -41.137 flat angles P-C4'-P energy: -38.601 tors. eta vs tors. theta energy: -8.078 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: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1378.595159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.595159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.595159 (E_RNA) where: Base-Base interactions energy: -933.664 where: short stacking energy: -423.558 Base-Backbone interact. energy: -1.295 local terms energy: -443.636086 where: bonds (distance) C4'-P energy: -84.587 bonds (distance) P-C4' energy: -78.553 flat angles C4'-P-C4' energy: -94.419 flat angles P-C4'-P energy: -59.120 tors. eta vs tors. theta energy: -126.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1277.865785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.865785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.865785 (E_RNA) where: Base-Base interactions energy: -867.199 where: short stacking energy: -386.421 Base-Backbone interact. energy: -0.624 local terms energy: -410.042767 where: bonds (distance) C4'-P energy: -87.533 bonds (distance) P-C4' energy: -79.590 flat angles C4'-P-C4' energy: -85.523 flat angles P-C4'-P energy: -52.886 tors. eta vs tors. theta energy: -104.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1234.528111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.528111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.528111 (E_RNA) where: Base-Base interactions energy: -843.170 where: short stacking energy: -389.622 Base-Backbone interact. energy: -1.872 local terms energy: -389.486262 where: bonds (distance) C4'-P energy: -64.394 bonds (distance) P-C4' energy: -73.665 flat angles C4'-P-C4' energy: -83.604 flat angles P-C4'-P energy: -53.436 tors. eta vs tors. theta energy: -114.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1139.915575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.915575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.915575 (E_RNA) where: Base-Base interactions energy: -739.877 where: short stacking energy: -320.742 Base-Backbone interact. energy: -2.122 local terms energy: -397.916751 where: bonds (distance) C4'-P energy: -80.853 bonds (distance) P-C4' energy: -76.529 flat angles C4'-P-C4' energy: -90.858 flat angles P-C4'-P energy: -53.900 tors. eta vs tors. theta energy: -95.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1031.750370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.750370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.750370 (E_RNA) where: Base-Base interactions energy: -710.281 where: short stacking energy: -336.008 Base-Backbone interact. energy: -0.647 local terms energy: -320.821562 where: bonds (distance) C4'-P energy: -77.068 bonds (distance) P-C4' energy: -64.238 flat angles C4'-P-C4' energy: -73.619 flat angles P-C4'-P energy: -42.054 tors. eta vs tors. theta energy: -63.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -869.968941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.968941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.968941 (E_RNA) where: Base-Base interactions energy: -556.613 where: short stacking energy: -253.078 Base-Backbone interact. energy: -2.445 local terms energy: -310.911675 where: bonds (distance) C4'-P energy: -79.230 bonds (distance) P-C4' energy: -58.781 flat angles C4'-P-C4' energy: -70.565 flat angles P-C4'-P energy: -46.957 tors. eta vs tors. theta energy: -55.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -674.830971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.830971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.830971 (E_RNA) where: Base-Base interactions energy: -388.528 where: short stacking energy: -212.508 Base-Backbone interact. energy: -1.608 local terms energy: -284.695392 where: bonds (distance) C4'-P energy: -62.284 bonds (distance) P-C4' energy: -84.959 flat angles C4'-P-C4' energy: -59.133 flat angles P-C4'-P energy: -53.641 tors. eta vs tors. theta energy: -24.678 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: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -573.019021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.019021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.019021 (E_RNA) where: Base-Base interactions energy: -313.314 where: short stacking energy: -172.805 Base-Backbone interact. energy: -3.194 local terms energy: -256.510819 where: bonds (distance) C4'-P energy: -59.470 bonds (distance) P-C4' energy: -79.351 flat angles C4'-P-C4' energy: -55.858 flat angles P-C4'-P energy: -39.582 tors. eta vs tors. theta energy: -22.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -554.488675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.488675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.488675 (E_RNA) where: Base-Base interactions energy: -308.281 where: short stacking energy: -171.610 Base-Backbone interact. energy: -3.238 local terms energy: -242.969893 where: bonds (distance) C4'-P energy: -46.438 bonds (distance) P-C4' energy: -78.028 flat angles C4'-P-C4' energy: -56.766 flat angles P-C4'-P energy: -46.800 tors. eta vs tors. theta energy: -14.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -335.216320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.216320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.216320 (E_RNA) where: Base-Base interactions energy: -126.431 where: short stacking energy: -97.119 Base-Backbone interact. energy: -1.247 local terms energy: -207.538909 where: bonds (distance) C4'-P energy: -68.499 bonds (distance) P-C4' energy: -64.010 flat angles C4'-P-C4' energy: -53.875 flat angles P-C4'-P energy: -24.423 tors. eta vs tors. theta energy: 3.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1352.190227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.190227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.190227 (E_RNA) where: Base-Base interactions energy: -926.256 where: short stacking energy: -422.070 Base-Backbone interact. energy: 2.040 local terms energy: -427.973875 where: bonds (distance) C4'-P energy: -75.470 bonds (distance) P-C4' energy: -77.020 flat angles C4'-P-C4' energy: -93.077 flat angles P-C4'-P energy: -58.118 tors. eta vs tors. theta energy: -124.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1304.179153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.179153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.179153 (E_RNA) where: Base-Base interactions energy: -884.306 where: short stacking energy: -376.565 Base-Backbone interact. energy: -0.947 local terms energy: -418.926203 where: bonds (distance) C4'-P energy: -80.125 bonds (distance) P-C4' energy: -79.863 flat angles C4'-P-C4' energy: -90.418 flat angles P-C4'-P energy: -60.208 tors. eta vs tors. theta energy: -108.313 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: 173 Temperature: 1.000000 Total energy: -1244.016025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.016025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.016025 (E_RNA) where: Base-Base interactions energy: -831.265 where: short stacking energy: -403.909 Base-Backbone interact. energy: -0.641 local terms energy: -412.109395 where: bonds (distance) C4'-P energy: -68.536 bonds (distance) P-C4' energy: -70.619 flat angles C4'-P-C4' energy: -98.907 flat angles P-C4'-P energy: -54.221 tors. eta vs tors. theta energy: -119.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1149.650582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.650582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.650582 (E_RNA) where: Base-Base interactions energy: -768.027 where: short stacking energy: -347.265 Base-Backbone interact. energy: -0.427 local terms energy: -381.197341 where: bonds (distance) C4'-P energy: -72.174 bonds (distance) P-C4' energy: -73.639 flat angles C4'-P-C4' energy: -78.876 flat angles P-C4'-P energy: -53.854 tors. eta vs tors. theta energy: -102.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1035.957786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.957786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.957786 (E_RNA) where: Base-Base interactions energy: -679.557 where: short stacking energy: -315.140 Base-Backbone interact. energy: 0.201 local terms energy: -356.601625 where: bonds (distance) C4'-P energy: -79.399 bonds (distance) P-C4' energy: -71.986 flat angles C4'-P-C4' energy: -67.563 flat angles P-C4'-P energy: -61.163 tors. eta vs tors. theta energy: -76.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -836.997245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.997245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.997245 (E_RNA) where: Base-Base interactions energy: -542.639 where: short stacking energy: -245.198 Base-Backbone interact. energy: -2.329 local terms energy: -292.029823 where: bonds (distance) C4'-P energy: -62.427 bonds (distance) P-C4' energy: -63.796 flat angles C4'-P-C4' energy: -66.345 flat angles P-C4'-P energy: -38.271 tors. eta vs tors. theta energy: -61.191 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: 173 Temperature: 1.200000 Total energy: -681.483932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.483932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.483932 (E_RNA) where: Base-Base interactions energy: -395.541 where: short stacking energy: -203.035 Base-Backbone interact. energy: -1.043 local terms energy: -284.899891 where: bonds (distance) C4'-P energy: -75.421 bonds (distance) P-C4' energy: -67.038 flat angles C4'-P-C4' energy: -65.377 flat angles P-C4'-P energy: -39.518 tors. eta vs tors. theta energy: -37.545 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: 5 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -555.012190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.012190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.012190 (E_RNA) where: Base-Base interactions energy: -280.537 where: short stacking energy: -156.381 Base-Backbone interact. energy: -1.925 local terms energy: -272.550155 where: bonds (distance) C4'-P energy: -74.663 bonds (distance) P-C4' energy: -71.125 flat angles C4'-P-C4' energy: -69.490 flat angles P-C4'-P energy: -37.112 tors. eta vs tors. theta energy: -20.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -527.634643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.634643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.634643 (E_RNA) where: Base-Base interactions energy: -283.507 where: short stacking energy: -169.093 Base-Backbone interact. energy: 0.609 local terms energy: -244.737121 where: bonds (distance) C4'-P energy: -55.985 bonds (distance) P-C4' energy: -67.451 flat angles C4'-P-C4' energy: -69.545 flat angles P-C4'-P energy: -24.886 tors. eta vs tors. theta energy: -26.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -333.060818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.060818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.060818 (E_RNA) where: Base-Base interactions energy: -112.954 where: short stacking energy: -110.854 Base-Backbone interact. energy: -0.763 local terms energy: -219.343296 where: bonds (distance) C4'-P energy: -59.530 bonds (distance) P-C4' energy: -68.804 flat angles C4'-P-C4' energy: -56.824 flat angles P-C4'-P energy: -35.532 tors. eta vs tors. theta energy: 1.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1380.902132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.902132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.902132 (E_RNA) where: Base-Base interactions energy: -929.304 where: short stacking energy: -444.611 Base-Backbone interact. energy: -1.142 local terms energy: -450.455629 where: bonds (distance) C4'-P energy: -78.903 bonds (distance) P-C4' energy: -82.952 flat angles C4'-P-C4' energy: -85.743 flat angles P-C4'-P energy: -59.602 tors. eta vs tors. theta energy: -143.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1294.957322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.957322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.957322 (E_RNA) where: Base-Base interactions energy: -883.807 where: short stacking energy: -386.922 Base-Backbone interact. energy: -2.412 local terms energy: -408.737581 where: bonds (distance) C4'-P energy: -75.523 bonds (distance) P-C4' energy: -77.715 flat angles C4'-P-C4' energy: -95.003 flat angles P-C4'-P energy: -46.132 tors. eta vs tors. theta energy: -114.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1228.829033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.829033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.829033 (E_RNA) where: Base-Base interactions energy: -840.065 where: short stacking energy: -398.416 Base-Backbone interact. energy: 0.673 local terms energy: -389.436303 where: bonds (distance) C4'-P energy: -72.244 bonds (distance) P-C4' energy: -74.150 flat angles C4'-P-C4' energy: -86.036 flat angles P-C4'-P energy: -47.786 tors. eta vs tors. theta energy: -109.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1130.217163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.217163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.217163 (E_RNA) where: Base-Base interactions energy: -753.599 where: short stacking energy: -327.389 Base-Backbone interact. energy: -1.173 local terms energy: -375.444480 where: bonds (distance) C4'-P energy: -66.252 bonds (distance) P-C4' energy: -76.930 flat angles C4'-P-C4' energy: -82.976 flat angles P-C4'-P energy: -54.029 tors. eta vs tors. theta energy: -95.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1023.234525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.234525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.234525 (E_RNA) where: Base-Base interactions energy: -660.390 where: short stacking energy: -307.431 Base-Backbone interact. energy: -1.796 local terms energy: -361.047810 where: bonds (distance) C4'-P energy: -72.343 bonds (distance) P-C4' energy: -72.976 flat angles C4'-P-C4' energy: -83.220 flat angles P-C4'-P energy: -51.478 tors. eta vs tors. theta energy: -81.030 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: 4 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -872.874452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.874452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.874452 (E_RNA) where: Base-Base interactions energy: -514.552 where: short stacking energy: -261.176 Base-Backbone interact. energy: -1.742 local terms energy: -356.579795 where: bonds (distance) C4'-P energy: -71.918 bonds (distance) P-C4' energy: -85.760 flat angles C4'-P-C4' energy: -84.283 flat angles P-C4'-P energy: -55.424 tors. eta vs tors. theta energy: -59.194 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: 7, replica: 3 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -735.123460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.123460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.123460 (E_RNA) where: Base-Base interactions energy: -432.740 where: short stacking energy: -221.183 Base-Backbone interact. energy: -1.236 local terms energy: -301.148235 where: bonds (distance) C4'-P energy: -65.487 bonds (distance) P-C4' energy: -80.455 flat angles C4'-P-C4' energy: -74.362 flat angles P-C4'-P energy: -54.367 tors. eta vs tors. theta energy: -26.476 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: 5 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -582.642429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.642429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.642429 (E_RNA) where: Base-Base interactions energy: -310.581 where: short stacking energy: -180.927 Base-Backbone interact. energy: -2.085 local terms energy: -269.976845 where: bonds (distance) C4'-P energy: -64.650 bonds (distance) P-C4' energy: -82.324 flat angles C4'-P-C4' energy: -54.779 flat angles P-C4'-P energy: -34.443 tors. eta vs tors. theta energy: -33.781 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: 9, replica: 6 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -544.588284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.588284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.588284 (E_RNA) where: Base-Base interactions energy: -276.733 where: short stacking energy: -157.599 Base-Backbone interact. energy: 1.191 local terms energy: -269.045804 where: bonds (distance) C4'-P energy: -70.608 bonds (distance) P-C4' energy: -69.524 flat angles C4'-P-C4' energy: -62.739 flat angles P-C4'-P energy: -47.616 tors. eta vs tors. theta energy: -18.559 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: 174 Temperature: 1.350000 Total energy: -339.611258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.611258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.611258 (E_RNA) where: Base-Base interactions energy: -116.265 where: short stacking energy: -96.310 Base-Backbone interact. energy: 4.650 local terms energy: -227.995647 where: bonds (distance) C4'-P energy: -72.141 bonds (distance) P-C4' energy: -81.489 flat angles C4'-P-C4' energy: -36.645 flat angles P-C4'-P energy: -40.758 tors. eta vs tors. theta energy: 3.038 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: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1364.729540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.729540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.729540 (E_RNA) where: Base-Base interactions energy: -909.823 where: short stacking energy: -415.500 Base-Backbone interact. energy: -1.015 local terms energy: -453.891661 where: bonds (distance) C4'-P energy: -76.857 bonds (distance) P-C4' energy: -79.193 flat angles C4'-P-C4' energy: -97.577 flat angles P-C4'-P energy: -68.130 tors. eta vs tors. theta energy: -132.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1270.107399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.107399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.107399 (E_RNA) where: Base-Base interactions energy: -859.244 where: short stacking energy: -367.738 Base-Backbone interact. energy: -1.365 local terms energy: -409.498170 where: bonds (distance) C4'-P energy: -71.639 bonds (distance) P-C4' energy: -76.806 flat angles C4'-P-C4' energy: -94.769 flat angles P-C4'-P energy: -58.188 tors. eta vs tors. theta energy: -108.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1219.679804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.679804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.679804 (E_RNA) where: Base-Base interactions energy: -806.439 where: short stacking energy: -390.159 Base-Backbone interact. energy: -0.557 local terms energy: -412.684038 where: bonds (distance) C4'-P energy: -74.122 bonds (distance) P-C4' energy: -74.711 flat angles C4'-P-C4' energy: -91.391 flat angles P-C4'-P energy: -53.106 tors. eta vs tors. theta energy: -119.354 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: 4, replica: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1130.019717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.019717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.019717 (E_RNA) where: Base-Base interactions energy: -753.597 where: short stacking energy: -330.567 Base-Backbone interact. energy: -0.942 local terms energy: -375.481063 where: bonds (distance) C4'-P energy: -63.877 bonds (distance) P-C4' energy: -73.110 flat angles C4'-P-C4' energy: -77.984 flat angles P-C4'-P energy: -61.044 tors. eta vs tors. theta energy: -99.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1037.778413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.778413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.778413 (E_RNA) where: Base-Base interactions energy: -681.346 where: short stacking energy: -320.090 Base-Backbone interact. energy: -1.289 local terms energy: -355.143276 where: bonds (distance) C4'-P energy: -62.176 bonds (distance) P-C4' energy: -65.973 flat angles C4'-P-C4' energy: -84.965 flat angles P-C4'-P energy: -53.513 tors. eta vs tors. theta energy: -88.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -854.973902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.973902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.973902 (E_RNA) where: Base-Base interactions energy: -537.413 where: short stacking energy: -250.762 Base-Backbone interact. energy: -0.983 local terms energy: -316.578118 where: bonds (distance) C4'-P energy: -74.472 bonds (distance) P-C4' energy: -72.052 flat angles C4'-P-C4' energy: -66.318 flat angles P-C4'-P energy: -42.014 tors. eta vs tors. theta energy: -61.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -720.383139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.383139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.383139 (E_RNA) where: Base-Base interactions energy: -428.926 where: short stacking energy: -203.283 Base-Backbone interact. energy: -2.673 local terms energy: -288.783560 where: bonds (distance) C4'-P energy: -63.008 bonds (distance) P-C4' energy: -78.768 flat angles C4'-P-C4' energy: -63.961 flat angles P-C4'-P energy: -45.615 tors. eta vs tors. theta energy: -37.431 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: 8, replica: 5 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -570.620167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.620167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.620167 (E_RNA) where: Base-Base interactions energy: -316.201 where: short stacking energy: -143.277 Base-Backbone interact. energy: 6.479 local terms energy: -260.897837 where: bonds (distance) C4'-P energy: -75.348 bonds (distance) P-C4' energy: -69.340 flat angles C4'-P-C4' energy: -62.231 flat angles P-C4'-P energy: -33.837 tors. eta vs tors. theta energy: -20.142 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: 9, replica: 6 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -501.672098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.672098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.672098 (E_RNA) where: Base-Base interactions energy: -246.569 where: short stacking energy: -141.182 Base-Backbone interact. energy: 4.078 local terms energy: -259.180776 where: bonds (distance) C4'-P energy: -68.138 bonds (distance) P-C4' energy: -82.001 flat angles C4'-P-C4' energy: -73.043 flat angles P-C4'-P energy: -31.962 tors. eta vs tors. theta energy: -4.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -317.104621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.104621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.104621 (E_RNA) where: Base-Base interactions energy: -100.300 where: short stacking energy: -77.415 Base-Backbone interact. energy: 0.811 local terms energy: -217.615427 where: bonds (distance) C4'-P energy: -66.373 bonds (distance) P-C4' energy: -78.452 flat angles C4'-P-C4' energy: -52.177 flat angles P-C4'-P energy: -29.188 tors. eta vs tors. theta energy: 8.574 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: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1372.789722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.789722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.789722 (E_RNA) where: Base-Base interactions energy: -931.554 where: short stacking energy: -426.944 Base-Backbone interact. energy: -0.505 local terms energy: -440.730818 where: bonds (distance) C4'-P energy: -73.313 bonds (distance) P-C4' energy: -82.674 flat angles C4'-P-C4' energy: -93.368 flat angles P-C4'-P energy: -65.988 tors. eta vs tors. theta energy: -125.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1291.611174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.611174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.611174 (E_RNA) where: Base-Base interactions energy: -864.080 where: short stacking energy: -378.486 Base-Backbone interact. energy: -0.951 local terms energy: -426.580068 where: bonds (distance) C4'-P energy: -79.185 bonds (distance) P-C4' energy: -81.077 flat angles C4'-P-C4' energy: -91.611 flat angles P-C4'-P energy: -63.034 tors. eta vs tors. theta energy: -111.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1161.281622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.281622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.281622 (E_RNA) where: Base-Base interactions energy: -778.808 where: short stacking energy: -355.791 Base-Backbone interact. energy: -0.006 local terms energy: -382.467174 where: bonds (distance) C4'-P energy: -71.219 bonds (distance) P-C4' energy: -84.571 flat angles C4'-P-C4' energy: -80.528 flat angles P-C4'-P energy: -52.852 tors. eta vs tors. theta energy: -93.298 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: 9 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1168.811470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.811470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.811470 (E_RNA) where: Base-Base interactions energy: -774.068 where: short stacking energy: -382.683 Base-Backbone interact. energy: -0.264 local terms energy: -394.479392 where: bonds (distance) C4'-P energy: -67.662 bonds (distance) P-C4' energy: -70.759 flat angles C4'-P-C4' energy: -88.982 flat angles P-C4'-P energy: -48.330 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: 176 Temperature: 1.100000 Total energy: -1066.549526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.549526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.549526 (E_RNA) where: Base-Base interactions energy: -694.970 where: short stacking energy: -337.168 Base-Backbone interact. energy: 0.113 local terms energy: -371.692148 where: bonds (distance) C4'-P energy: -66.356 bonds (distance) P-C4' energy: -87.701 flat angles C4'-P-C4' energy: -89.396 flat angles P-C4'-P energy: -41.282 tors. eta vs tors. theta energy: -86.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -864.566829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.566829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.566829 (E_RNA) where: Base-Base interactions energy: -537.152 where: short stacking energy: -260.236 Base-Backbone interact. energy: -0.501 local terms energy: -326.913751 where: bonds (distance) C4'-P energy: -73.083 bonds (distance) P-C4' energy: -62.086 flat angles C4'-P-C4' energy: -68.058 flat angles P-C4'-P energy: -54.247 tors. eta vs tors. theta energy: -69.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -713.788807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.788807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.788807 (E_RNA) where: Base-Base interactions energy: -424.096 where: short stacking energy: -210.963 Base-Backbone interact. energy: 0.161 local terms energy: -289.853677 where: bonds (distance) C4'-P energy: -61.312 bonds (distance) P-C4' energy: -59.662 flat angles C4'-P-C4' energy: -71.085 flat angles P-C4'-P energy: -55.458 tors. eta vs tors. theta energy: -42.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -578.092557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.092557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.092557 (E_RNA) where: Base-Base interactions energy: -294.480 where: short stacking energy: -153.225 Base-Backbone interact. energy: 2.015 local terms energy: -285.627365 where: bonds (distance) C4'-P energy: -64.381 bonds (distance) P-C4' energy: -88.625 flat angles C4'-P-C4' energy: -64.769 flat angles P-C4'-P energy: -49.782 tors. eta vs tors. theta energy: -18.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -530.858032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.858032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.858032 (E_RNA) where: Base-Base interactions energy: -263.306 where: short stacking energy: -170.930 Base-Backbone interact. energy: -1.645 local terms energy: -265.906280 where: bonds (distance) C4'-P energy: -70.644 bonds (distance) P-C4' energy: -72.454 flat angles C4'-P-C4' energy: -58.217 flat angles P-C4'-P energy: -32.887 tors. eta vs tors. theta energy: -31.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -327.108192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.108192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.108192 (E_RNA) where: Base-Base interactions energy: -107.281 where: short stacking energy: -100.205 Base-Backbone interact. energy: 1.594 local terms energy: -221.421913 where: bonds (distance) C4'-P energy: -65.840 bonds (distance) P-C4' energy: -65.352 flat angles C4'-P-C4' energy: -53.786 flat angles P-C4'-P energy: -35.926 tors. eta vs tors. theta energy: -0.518 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: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1340.106400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.106400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.106400 (E_RNA) where: Base-Base interactions energy: -907.824 where: short stacking energy: -415.535 Base-Backbone interact. energy: -0.761 local terms energy: -431.521472 where: bonds (distance) C4'-P energy: -68.411 bonds (distance) P-C4' energy: -86.382 flat angles C4'-P-C4' energy: -92.718 flat angles P-C4'-P energy: -62.010 tors. eta vs tors. theta energy: -122.000 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: 7 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1269.809608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.809608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.809608 (E_RNA) where: Base-Base interactions energy: -859.399 where: short stacking energy: -388.168 Base-Backbone interact. energy: 2.201 local terms energy: -412.612080 where: bonds (distance) C4'-P energy: -73.753 bonds (distance) P-C4' energy: -76.539 flat angles C4'-P-C4' energy: -82.542 flat angles P-C4'-P energy: -61.369 tors. eta vs tors. theta energy: -118.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1154.582623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.582623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.582623 (E_RNA) where: Base-Base interactions energy: -767.450 where: short stacking energy: -332.148 Base-Backbone interact. energy: -1.529 local terms energy: -385.604255 where: bonds (distance) C4'-P energy: -82.347 bonds (distance) P-C4' energy: -75.045 flat angles C4'-P-C4' energy: -83.933 flat angles P-C4'-P energy: -56.592 tors. eta vs tors. theta energy: -87.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1151.826980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.826980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.826980 (E_RNA) where: Base-Base interactions energy: -767.216 where: short stacking energy: -372.337 Base-Backbone interact. energy: 3.062 local terms energy: -387.672588 where: bonds (distance) C4'-P energy: -63.314 bonds (distance) P-C4' energy: -79.917 flat angles C4'-P-C4' energy: -78.843 flat angles P-C4'-P energy: -57.270 tors. eta vs tors. theta energy: -108.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1033.161481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.161481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.161481 (E_RNA) where: Base-Base interactions energy: -676.835 where: short stacking energy: -320.432 Base-Backbone interact. energy: -1.767 local terms energy: -354.559690 where: bonds (distance) C4'-P energy: -66.337 bonds (distance) P-C4' energy: -80.687 flat angles C4'-P-C4' energy: -80.814 flat angles P-C4'-P energy: -52.053 tors. eta vs tors. theta energy: -74.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -864.389483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.389483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.389483 (E_RNA) where: Base-Base interactions energy: -538.313 where: short stacking energy: -248.654 Base-Backbone interact. energy: -0.687 local terms energy: -325.388908 where: bonds (distance) C4'-P energy: -60.726 bonds (distance) P-C4' energy: -75.886 flat angles C4'-P-C4' energy: -73.843 flat angles P-C4'-P energy: -59.637 tors. eta vs tors. theta energy: -55.298 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: 3 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -704.645951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.645951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.645951 (E_RNA) where: Base-Base interactions energy: -419.994 where: short stacking energy: -217.758 Base-Backbone interact. energy: -1.183 local terms energy: -283.468521 where: bonds (distance) C4'-P energy: -64.852 bonds (distance) P-C4' energy: -78.511 flat angles C4'-P-C4' energy: -52.489 flat angles P-C4'-P energy: -49.051 tors. eta vs tors. theta energy: -38.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -539.577827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.577827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.577827 (E_RNA) where: Base-Base interactions energy: -299.330 where: short stacking energy: -167.086 Base-Backbone interact. energy: -2.521 local terms energy: -237.726588 where: bonds (distance) C4'-P energy: -70.339 bonds (distance) P-C4' energy: -71.175 flat angles C4'-P-C4' energy: -48.242 flat angles P-C4'-P energy: -21.098 tors. eta vs tors. theta energy: -26.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -505.202246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.202246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.202246 (E_RNA) where: Base-Base interactions energy: -246.266 where: short stacking energy: -140.375 Base-Backbone interact. energy: 4.294 local terms energy: -263.230815 where: bonds (distance) C4'-P energy: -76.855 bonds (distance) P-C4' energy: -71.164 flat angles C4'-P-C4' energy: -71.942 flat angles P-C4'-P energy: -34.572 tors. eta vs tors. theta energy: -8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -333.366179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.366179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.366179 (E_RNA) where: Base-Base interactions energy: -113.436 where: short stacking energy: -106.297 Base-Backbone interact. energy: 2.700 local terms energy: -222.630559 where: bonds (distance) C4'-P energy: -66.372 bonds (distance) P-C4' energy: -73.101 flat angles C4'-P-C4' energy: -47.862 flat angles P-C4'-P energy: -39.118 tors. eta vs tors. theta energy: 3.823 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: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1360.099157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.099157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.099157 (E_RNA) where: Base-Base interactions energy: -916.336 where: short stacking energy: -431.229 Base-Backbone interact. energy: 1.147 local terms energy: -444.909686 where: bonds (distance) C4'-P energy: -77.957 bonds (distance) P-C4' energy: -87.249 flat angles C4'-P-C4' energy: -91.976 flat angles P-C4'-P energy: -63.272 tors. eta vs tors. theta energy: -124.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1282.622752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.622752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.622752 (E_RNA) where: Base-Base interactions energy: -864.906 where: short stacking energy: -392.024 Base-Backbone interact. energy: 3.734 local terms energy: -421.451170 where: bonds (distance) C4'-P energy: -75.013 bonds (distance) P-C4' energy: -84.301 flat angles C4'-P-C4' energy: -84.780 flat angles P-C4'-P energy: -63.385 tors. eta vs tors. theta energy: -113.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1204.448665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.448665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.448665 (E_RNA) where: Base-Base interactions energy: -793.552 where: short stacking energy: -383.842 Base-Backbone interact. energy: 0.161 local terms energy: -411.057423 where: bonds (distance) C4'-P energy: -76.854 bonds (distance) P-C4' energy: -81.664 flat angles C4'-P-C4' energy: -78.817 flat angles P-C4'-P energy: -52.468 tors. eta vs tors. theta energy: -121.254 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: 2 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1150.438246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.438246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.438246 (E_RNA) where: Base-Base interactions energy: -785.820 where: short stacking energy: -358.672 Base-Backbone interact. energy: 9.319 local terms energy: -373.937060 where: bonds (distance) C4'-P energy: -72.524 bonds (distance) P-C4' energy: -73.991 flat angles C4'-P-C4' energy: -84.180 flat angles P-C4'-P energy: -49.396 tors. eta vs tors. theta energy: -93.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1024.679445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.679445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.679445 (E_RNA) where: Base-Base interactions energy: -668.769 where: short stacking energy: -315.831 Base-Backbone interact. energy: -2.823 local terms energy: -353.087579 where: bonds (distance) C4'-P energy: -70.443 bonds (distance) P-C4' energy: -70.556 flat angles C4'-P-C4' energy: -87.806 flat angles P-C4'-P energy: -43.813 tors. eta vs tors. theta energy: -80.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -835.862230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.862230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.862230 (E_RNA) where: Base-Base interactions energy: -521.309 where: short stacking energy: -246.009 Base-Backbone interact. energy: 0.980 local terms energy: -315.533899 where: bonds (distance) C4'-P energy: -63.620 bonds (distance) P-C4' energy: -70.989 flat angles C4'-P-C4' energy: -71.400 flat angles P-C4'-P energy: -50.220 tors. eta vs tors. theta energy: -59.304 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: 7, replica: 3 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -737.987214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.987214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.987214 (E_RNA) where: Base-Base interactions energy: -444.941 where: short stacking energy: -234.590 Base-Backbone interact. energy: 0.502 local terms energy: -293.548107 where: bonds (distance) C4'-P energy: -61.802 bonds (distance) P-C4' energy: -83.969 flat angles C4'-P-C4' energy: -62.505 flat angles P-C4'-P energy: -36.300 tors. eta vs tors. theta energy: -48.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -512.724682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.724682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.724682 (E_RNA) where: Base-Base interactions energy: -234.402 where: short stacking energy: -146.659 Base-Backbone interact. energy: 0.272 local terms energy: -278.594700 where: bonds (distance) C4'-P energy: -77.573 bonds (distance) P-C4' energy: -75.625 flat angles C4'-P-C4' energy: -69.000 flat angles P-C4'-P energy: -47.645 tors. eta vs tors. theta energy: -8.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -515.120494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.120494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.120494 (E_RNA) where: Base-Base interactions energy: -259.141 where: short stacking energy: -143.612 Base-Backbone interact. energy: -1.069 local terms energy: -254.910856 where: bonds (distance) C4'-P energy: -55.227 bonds (distance) P-C4' energy: -76.145 flat angles C4'-P-C4' energy: -69.871 flat angles P-C4'-P energy: -36.231 tors. eta vs tors. theta energy: -17.437 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: 10, replica: 8 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -320.214342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.214342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.214342 (E_RNA) where: Base-Base interactions energy: -116.687 where: short stacking energy: -86.345 Base-Backbone interact. energy: 0.332 local terms energy: -203.859137 where: bonds (distance) C4'-P energy: -71.311 bonds (distance) P-C4' energy: -74.734 flat angles C4'-P-C4' energy: -56.125 flat angles P-C4'-P energy: -24.666 tors. eta vs tors. theta energy: 22.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1375.940986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.940986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.940986 (E_RNA) where: Base-Base interactions energy: -938.623 where: short stacking energy: -438.755 Base-Backbone interact. energy: -1.272 local terms energy: -436.046341 where: bonds (distance) C4'-P energy: -69.642 bonds (distance) P-C4' energy: -81.872 flat angles C4'-P-C4' energy: -97.344 flat angles P-C4'-P energy: -56.201 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: 2, replica: 7 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1290.181491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.181491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.181491 (E_RNA) where: Base-Base interactions energy: -878.299 where: short stacking energy: -372.557 Base-Backbone interact. energy: 0.765 local terms energy: -412.647746 where: bonds (distance) C4'-P energy: -70.797 bonds (distance) P-C4' energy: -84.478 flat angles C4'-P-C4' energy: -86.268 flat angles P-C4'-P energy: -62.824 tors. eta vs tors. theta energy: -108.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1221.850393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.850393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.850393 (E_RNA) where: Base-Base interactions energy: -803.296 where: short stacking energy: -387.761 Base-Backbone interact. energy: -0.779 local terms energy: -417.774949 where: bonds (distance) C4'-P energy: -68.021 bonds (distance) P-C4' energy: -86.926 flat angles C4'-P-C4' energy: -86.329 flat angles P-C4'-P energy: -55.392 tors. eta vs tors. theta energy: -121.106 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: 2 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1146.882022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.882022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.882022 (E_RNA) where: Base-Base interactions energy: -754.602 where: short stacking energy: -331.412 Base-Backbone interact. energy: -1.558 local terms energy: -390.721755 where: bonds (distance) C4'-P energy: -75.853 bonds (distance) P-C4' energy: -81.524 flat angles C4'-P-C4' energy: -77.698 flat angles P-C4'-P energy: -58.951 tors. eta vs tors. theta energy: -96.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1069.777280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.777280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.777280 (E_RNA) where: Base-Base interactions energy: -703.019 where: short stacking energy: -320.905 Base-Backbone interact. energy: 2.264 local terms energy: -369.021555 where: bonds (distance) C4'-P energy: -74.193 bonds (distance) P-C4' energy: -71.568 flat angles C4'-P-C4' energy: -85.289 flat angles P-C4'-P energy: -51.734 tors. eta vs tors. theta energy: -86.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -810.216080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.216080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.216080 (E_RNA) where: Base-Base interactions energy: -500.541 where: short stacking energy: -243.552 Base-Backbone interact. energy: 5.177 local terms energy: -314.852130 where: bonds (distance) C4'-P energy: -77.022 bonds (distance) P-C4' energy: -79.662 flat angles C4'-P-C4' energy: -70.387 flat angles P-C4'-P energy: -35.438 tors. eta vs tors. theta energy: -52.343 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: 3 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -738.878960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.878960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.878960 (E_RNA) where: Base-Base interactions energy: -466.675 where: short stacking energy: -210.539 Base-Backbone interact. energy: -1.425 local terms energy: -270.779054 where: bonds (distance) C4'-P energy: -65.511 bonds (distance) P-C4' energy: -70.627 flat angles C4'-P-C4' energy: -61.024 flat angles P-C4'-P energy: -38.038 tors. eta vs tors. theta energy: -35.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -549.709720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.709720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.709720 (E_RNA) where: Base-Base interactions energy: -288.233 where: short stacking energy: -175.339 Base-Backbone interact. energy: -2.232 local terms energy: -259.244652 where: bonds (distance) C4'-P energy: -72.518 bonds (distance) P-C4' energy: -65.025 flat angles C4'-P-C4' energy: -62.905 flat angles P-C4'-P energy: -34.534 tors. eta vs tors. theta energy: -24.262 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: 5 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -476.046775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.046775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.046775 (E_RNA) where: Base-Base interactions energy: -236.280 where: short stacking energy: -140.573 Base-Backbone interact. energy: -0.141 local terms energy: -239.626213 where: bonds (distance) C4'-P energy: -72.009 bonds (distance) P-C4' energy: -67.851 flat angles C4'-P-C4' energy: -48.781 flat angles P-C4'-P energy: -33.258 tors. eta vs tors. theta energy: -17.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -340.871190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.871190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.871190 (E_RNA) where: Base-Base interactions energy: -121.462 where: short stacking energy: -113.930 Base-Backbone interact. energy: -1.432 local terms energy: -217.977159 where: bonds (distance) C4'-P energy: -63.329 bonds (distance) P-C4' energy: -71.859 flat angles C4'-P-C4' energy: -54.134 flat angles P-C4'-P energy: -30.959 tors. eta vs tors. theta energy: 2.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1364.338349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.338349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.338349 (E_RNA) where: Base-Base interactions energy: -931.399 where: short stacking energy: -441.054 Base-Backbone interact. energy: -1.274 local terms energy: -431.665816 where: bonds (distance) C4'-P energy: -70.190 bonds (distance) P-C4' energy: -88.082 flat angles C4'-P-C4' energy: -87.790 flat angles P-C4'-P energy: -52.655 tors. eta vs tors. theta energy: -132.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1281.767315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.767315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.767315 (E_RNA) where: Base-Base interactions energy: -878.164 where: short stacking energy: -369.707 Base-Backbone interact. energy: 0.416 local terms energy: -404.019950 where: bonds (distance) C4'-P energy: -68.522 bonds (distance) P-C4' energy: -83.772 flat angles C4'-P-C4' energy: -90.292 flat angles P-C4'-P energy: -55.073 tors. eta vs tors. theta energy: -106.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1159.701367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.701367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.701367 (E_RNA) where: Base-Base interactions energy: -783.266 where: short stacking energy: -338.218 Base-Backbone interact. energy: -3.773 local terms energy: -372.661471 where: bonds (distance) C4'-P energy: -71.314 bonds (distance) P-C4' energy: -76.129 flat angles C4'-P-C4' energy: -81.681 flat angles P-C4'-P energy: -51.127 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: 4, replica: 9 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1184.432513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.432513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.432513 (E_RNA) where: Base-Base interactions energy: -784.702 where: short stacking energy: -368.659 Base-Backbone interact. energy: 0.183 local terms energy: -399.913724 where: bonds (distance) C4'-P energy: -69.769 bonds (distance) P-C4' energy: -83.090 flat angles C4'-P-C4' energy: -79.139 flat angles P-C4'-P energy: -57.239 tors. eta vs tors. theta energy: -110.677 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: 1 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1021.473815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.473815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.473815 (E_RNA) where: Base-Base interactions energy: -668.759 where: short stacking energy: -332.483 Base-Backbone interact. energy: 0.582 local terms energy: -353.297420 where: bonds (distance) C4'-P energy: -60.941 bonds (distance) P-C4' energy: -65.489 flat angles C4'-P-C4' energy: -84.775 flat angles P-C4'-P energy: -56.420 tors. eta vs tors. theta energy: -85.673 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: 4 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -811.691636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.691636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.691636 (E_RNA) where: Base-Base interactions energy: -515.535 where: short stacking energy: -242.191 Base-Backbone interact. energy: 1.185 local terms energy: -297.341804 where: bonds (distance) C4'-P energy: -76.804 bonds (distance) P-C4' energy: -63.301 flat angles C4'-P-C4' energy: -60.104 flat angles P-C4'-P energy: -46.507 tors. eta vs tors. theta energy: -50.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -696.134272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.134272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.134272 (E_RNA) where: Base-Base interactions energy: -403.540 where: short stacking energy: -198.091 Base-Backbone interact. energy: -3.578 local terms energy: -289.016039 where: bonds (distance) C4'-P energy: -58.252 bonds (distance) P-C4' energy: -66.149 flat angles C4'-P-C4' energy: -80.001 flat angles P-C4'-P energy: -54.072 tors. eta vs tors. theta energy: -30.542 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: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -559.850886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.850886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.850886 (E_RNA) where: Base-Base interactions energy: -277.847 where: short stacking energy: -164.201 Base-Backbone interact. energy: -0.201 local terms energy: -281.803322 where: bonds (distance) C4'-P energy: -69.185 bonds (distance) P-C4' energy: -76.417 flat angles C4'-P-C4' energy: -64.454 flat angles P-C4'-P energy: -44.206 tors. eta vs tors. theta energy: -27.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -348.275343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.275343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.275343 (E_RNA) where: Base-Base interactions energy: -125.526 where: short stacking energy: -101.347 Base-Backbone interact. energy: -1.670 local terms energy: -221.079560 where: bonds (distance) C4'-P energy: -77.759 bonds (distance) P-C4' energy: -73.167 flat angles C4'-P-C4' energy: -53.565 flat angles P-C4'-P energy: -37.519 tors. eta vs tors. theta energy: 20.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -478.074062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.074062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.074062 (E_RNA) where: Base-Base interactions energy: -230.537 where: short stacking energy: -111.778 Base-Backbone interact. energy: -0.783 local terms energy: -246.753752 where: bonds (distance) C4'-P energy: -76.213 bonds (distance) P-C4' energy: -81.887 flat angles C4'-P-C4' energy: -50.546 flat angles P-C4'-P energy: -29.169 tors. eta vs tors. theta energy: -8.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1367.341573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.341573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.341573 (E_RNA) where: Base-Base interactions energy: -920.108 where: short stacking energy: -422.661 Base-Backbone interact. energy: -0.033 local terms energy: -447.200530 where: bonds (distance) C4'-P energy: -80.250 bonds (distance) P-C4' energy: -82.406 flat angles C4'-P-C4' energy: -92.671 flat angles P-C4'-P energy: -64.608 tors. eta vs tors. theta energy: -127.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1287.669858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.669858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.669858 (E_RNA) where: Base-Base interactions energy: -876.580 where: short stacking energy: -382.395 Base-Backbone interact. energy: -1.849 local terms energy: -409.240668 where: bonds (distance) C4'-P energy: -70.535 bonds (distance) P-C4' energy: -73.326 flat angles C4'-P-C4' energy: -94.784 flat angles P-C4'-P energy: -57.707 tors. eta vs tors. theta energy: -112.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1167.630785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.630785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.630785 (E_RNA) where: Base-Base interactions energy: -781.212 where: short stacking energy: -326.625 Base-Backbone interact. energy: -1.698 local terms energy: -384.720448 where: bonds (distance) C4'-P energy: -74.608 bonds (distance) P-C4' energy: -72.508 flat angles C4'-P-C4' energy: -84.846 flat angles P-C4'-P energy: -52.235 tors. eta vs tors. theta energy: -100.524 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: 4, replica: 9 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1165.078386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.078386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.078386 (E_RNA) where: Base-Base interactions energy: -777.242 where: short stacking energy: -359.231 Base-Backbone interact. energy: -0.069 local terms energy: -387.767534 where: bonds (distance) C4'-P energy: -68.692 bonds (distance) P-C4' energy: -79.619 flat angles C4'-P-C4' energy: -87.734 flat angles P-C4'-P energy: -53.192 tors. eta vs tors. theta energy: -98.530 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: 1 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1065.023471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.023471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.023471 (E_RNA) where: Base-Base interactions energy: -700.001 where: short stacking energy: -321.582 Base-Backbone interact. energy: -2.669 local terms energy: -362.354069 where: bonds (distance) C4'-P energy: -61.941 bonds (distance) P-C4' energy: -75.927 flat angles C4'-P-C4' energy: -73.878 flat angles P-C4'-P energy: -58.782 tors. eta vs tors. theta energy: -91.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -857.224511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.224511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.224511 (E_RNA) where: Base-Base interactions energy: -514.903 where: short stacking energy: -255.804 Base-Backbone interact. energy: 0.959 local terms energy: -343.280091 where: bonds (distance) C4'-P energy: -73.431 bonds (distance) P-C4' energy: -65.785 flat angles C4'-P-C4' energy: -77.384 flat angles P-C4'-P energy: -59.768 tors. eta vs tors. theta energy: -66.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -686.979373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.979373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.979373 (E_RNA) where: Base-Base interactions energy: -400.222 where: short stacking energy: -193.195 Base-Backbone interact. energy: -0.878 local terms energy: -285.879474 where: bonds (distance) C4'-P energy: -60.681 bonds (distance) P-C4' energy: -65.784 flat angles C4'-P-C4' energy: -78.356 flat angles P-C4'-P energy: -51.662 tors. eta vs tors. theta energy: -29.396 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: 6 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -626.368642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.368642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.368642 (E_RNA) where: Base-Base interactions energy: -343.203 where: short stacking energy: -195.965 Base-Backbone interact. energy: -0.822 local terms energy: -282.343596 where: bonds (distance) C4'-P energy: -58.055 bonds (distance) P-C4' energy: -78.314 flat angles C4'-P-C4' energy: -65.561 flat angles P-C4'-P energy: -41.028 tors. eta vs tors. theta energy: -39.386 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: 8 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -405.593895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.593895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.593895 (E_RNA) where: Base-Base interactions energy: -166.801 where: short stacking energy: -133.270 Base-Backbone interact. energy: -0.143 local terms energy: -238.649014 where: bonds (distance) C4'-P energy: -68.345 bonds (distance) P-C4' energy: -69.674 flat angles C4'-P-C4' energy: -54.604 flat angles P-C4'-P energy: -43.626 tors. eta vs tors. theta energy: -2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -480.834815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.834815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.834815 (E_RNA) where: Base-Base interactions energy: -249.058 where: short stacking energy: -143.106 Base-Backbone interact. energy: -0.733 local terms energy: -231.043646 where: bonds (distance) C4'-P energy: -66.841 bonds (distance) P-C4' energy: -67.598 flat angles C4'-P-C4' energy: -41.723 flat angles P-C4'-P energy: -49.750 tors. eta vs tors. theta energy: -5.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1367.443612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.443612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.443612 (E_RNA) where: Base-Base interactions energy: -926.794 where: short stacking energy: -406.125 Base-Backbone interact. energy: -1.425 local terms energy: -439.224473 where: bonds (distance) C4'-P energy: -75.530 bonds (distance) P-C4' energy: -80.572 flat angles C4'-P-C4' energy: -88.143 flat angles P-C4'-P energy: -62.682 tors. eta vs tors. theta energy: -132.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1290.351422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.351422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.351422 (E_RNA) where: Base-Base interactions energy: -873.989 where: short stacking energy: -365.761 Base-Backbone interact. energy: -1.481 local terms energy: -414.881639 where: bonds (distance) C4'-P energy: -82.014 bonds (distance) P-C4' energy: -82.378 flat angles C4'-P-C4' energy: -94.257 flat angles P-C4'-P energy: -45.619 tors. eta vs tors. theta energy: -110.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1204.641446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.641446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.641446 (E_RNA) where: Base-Base interactions energy: -804.438 where: short stacking energy: -354.056 Base-Backbone interact. energy: -2.353 local terms energy: -397.849465 where: bonds (distance) C4'-P energy: -71.829 bonds (distance) P-C4' energy: -73.473 flat angles C4'-P-C4' energy: -88.542 flat angles P-C4'-P energy: -55.906 tors. eta vs tors. theta energy: -108.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1162.941264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.941264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.941264 (E_RNA) where: Base-Base interactions energy: -769.565 where: short stacking energy: -357.123 Base-Backbone interact. energy: -1.279 local terms energy: -392.097378 where: bonds (distance) C4'-P energy: -74.915 bonds (distance) P-C4' energy: -78.274 flat angles C4'-P-C4' energy: -82.252 flat angles P-C4'-P energy: -53.065 tors. eta vs tors. theta energy: -103.592 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: 182 Temperature: 1.100000 Total energy: -1005.093320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.093320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.093320 (E_RNA) where: Base-Base interactions energy: -658.033 where: short stacking energy: -296.651 Base-Backbone interact. energy: -0.159 local terms energy: -346.901280 where: bonds (distance) C4'-P energy: -63.518 bonds (distance) P-C4' energy: -70.946 flat angles C4'-P-C4' energy: -79.393 flat angles P-C4'-P energy: -57.683 tors. eta vs tors. theta energy: -75.362 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: 4 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -821.952740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.952740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.952740 (E_RNA) where: Base-Base interactions energy: -514.415 where: short stacking energy: -244.666 Base-Backbone interact. energy: 0.250 local terms energy: -307.787492 where: bonds (distance) C4'-P energy: -66.850 bonds (distance) P-C4' energy: -71.746 flat angles C4'-P-C4' energy: -76.130 flat angles P-C4'-P energy: -46.886 tors. eta vs tors. theta energy: -46.176 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: 3 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -697.401881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.401881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.401881 (E_RNA) where: Base-Base interactions energy: -437.815 where: short stacking energy: -233.130 Base-Backbone interact. energy: -0.137 local terms energy: -259.449532 where: bonds (distance) C4'-P energy: -65.011 bonds (distance) P-C4' energy: -64.867 flat angles C4'-P-C4' energy: -55.937 flat angles P-C4'-P energy: -24.126 tors. eta vs tors. theta energy: -49.508 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: 6 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -632.290709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.290709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.290709 (E_RNA) where: Base-Base interactions energy: -343.633 where: short stacking energy: -182.478 Base-Backbone interact. energy: -1.123 local terms energy: -287.534574 where: bonds (distance) C4'-P energy: -70.355 bonds (distance) P-C4' energy: -65.755 flat angles C4'-P-C4' energy: -78.510 flat angles P-C4'-P energy: -44.240 tors. eta vs tors. theta energy: -28.675 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: 5 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -579.361291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.361291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.361291 (E_RNA) where: Base-Base interactions energy: -324.326 where: short stacking energy: -164.485 Base-Backbone interact. energy: -3.178 local terms energy: -251.857188 where: bonds (distance) C4'-P energy: -61.140 bonds (distance) P-C4' energy: -63.981 flat angles C4'-P-C4' energy: -67.473 flat angles P-C4'-P energy: -35.098 tors. eta vs tors. theta energy: -24.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -387.458018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.458018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.458018 (E_RNA) where: Base-Base interactions energy: -151.361 where: short stacking energy: -111.797 Base-Backbone interact. energy: 0.735 local terms energy: -236.832341 where: bonds (distance) C4'-P energy: -69.473 bonds (distance) P-C4' energy: -69.232 flat angles C4'-P-C4' energy: -63.466 flat angles P-C4'-P energy: -35.165 tors. eta vs tors. theta energy: 0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1364.721781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.721781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.721781 (E_RNA) where: Base-Base interactions energy: -929.380 where: short stacking energy: -438.173 Base-Backbone interact. energy: -0.322 local terms energy: -435.020032 where: bonds (distance) C4'-P energy: -78.803 bonds (distance) P-C4' energy: -71.589 flat angles C4'-P-C4' energy: -89.810 flat angles P-C4'-P energy: -63.337 tors. eta vs tors. theta energy: -131.481 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: 2, replica: 7 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1307.186337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.186337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.186337 (E_RNA) where: Base-Base interactions energy: -898.844 where: short stacking energy: -386.909 Base-Backbone interact. energy: 1.864 local terms energy: -410.206539 where: bonds (distance) C4'-P energy: -82.294 bonds (distance) P-C4' energy: -73.657 flat angles C4'-P-C4' energy: -87.359 flat angles P-C4'-P energy: -61.313 tors. eta vs tors. theta energy: -105.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1237.338216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.338216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.338216 (E_RNA) where: Base-Base interactions energy: -824.114 where: short stacking energy: -373.359 Base-Backbone interact. energy: -2.685 local terms energy: -410.539037 where: bonds (distance) C4'-P energy: -70.255 bonds (distance) P-C4' energy: -80.411 flat angles C4'-P-C4' energy: -90.560 flat angles P-C4'-P energy: -65.919 tors. eta vs tors. theta energy: -103.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1152.404192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.404192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.404192 (E_RNA) where: Base-Base interactions energy: -752.494 where: short stacking energy: -343.379 Base-Backbone interact. energy: -1.203 local terms energy: -398.707101 where: bonds (distance) C4'-P energy: -78.692 bonds (distance) P-C4' energy: -73.527 flat angles C4'-P-C4' energy: -89.355 flat angles P-C4'-P energy: -46.164 tors. eta vs tors. theta energy: -110.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1028.534410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.534410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.534410 (E_RNA) where: Base-Base interactions energy: -676.119 where: short stacking energy: -289.762 Base-Backbone interact. energy: -0.568 local terms energy: -351.847017 where: bonds (distance) C4'-P energy: -70.211 bonds (distance) P-C4' energy: -79.281 flat angles C4'-P-C4' energy: -73.786 flat angles P-C4'-P energy: -52.550 tors. eta vs tors. theta energy: -76.018 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: 183 Temperature: 1.150000 Total energy: -840.318807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.318807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.318807 (E_RNA) where: Base-Base interactions energy: -515.190 where: short stacking energy: -244.445 Base-Backbone interact. energy: -0.812 local terms energy: -324.316611 where: bonds (distance) C4'-P energy: -68.760 bonds (distance) P-C4' energy: -76.358 flat angles C4'-P-C4' energy: -78.630 flat angles P-C4'-P energy: -43.903 tors. eta vs tors. theta energy: -56.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -705.661018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.661018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.661018 (E_RNA) where: Base-Base interactions energy: -437.631 where: short stacking energy: -207.029 Base-Backbone interact. energy: -0.187 local terms energy: -267.842581 where: bonds (distance) C4'-P energy: -62.201 bonds (distance) P-C4' energy: -62.399 flat angles C4'-P-C4' energy: -68.341 flat angles P-C4'-P energy: -38.440 tors. eta vs tors. theta energy: -36.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -635.243012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.243012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.243012 (E_RNA) where: Base-Base interactions energy: -347.115 where: short stacking energy: -175.947 Base-Backbone interact. energy: -1.882 local terms energy: -286.245755 where: bonds (distance) C4'-P energy: -71.351 bonds (distance) P-C4' energy: -82.171 flat angles C4'-P-C4' energy: -67.723 flat angles P-C4'-P energy: -39.689 tors. eta vs tors. theta energy: -25.312 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: 5 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -534.106876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.106876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.106876 (E_RNA) where: Base-Base interactions energy: -278.373 where: short stacking energy: -147.799 Base-Backbone interact. energy: -1.709 local terms energy: -254.024055 where: bonds (distance) C4'-P energy: -66.911 bonds (distance) P-C4' energy: -85.932 flat angles C4'-P-C4' energy: -54.100 flat angles P-C4'-P energy: -40.321 tors. eta vs tors. theta energy: -6.761 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: 8 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -326.358627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.358627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.358627 (E_RNA) where: Base-Base interactions energy: -124.064 where: short stacking energy: -84.312 Base-Backbone interact. energy: 1.522 local terms energy: -203.817114 where: bonds (distance) C4'-P energy: -71.359 bonds (distance) P-C4' energy: -69.839 flat angles C4'-P-C4' energy: -42.405 flat angles P-C4'-P energy: -35.932 tors. eta vs tors. theta energy: 15.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1376.767044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.767044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.767044 (E_RNA) where: Base-Base interactions energy: -941.496 where: short stacking energy: -416.621 Base-Backbone interact. energy: -0.445 local terms energy: -434.826006 where: bonds (distance) C4'-P energy: -76.789 bonds (distance) P-C4' energy: -75.554 flat angles C4'-P-C4' energy: -87.349 flat angles P-C4'-P energy: -67.564 tors. eta vs tors. theta energy: -127.570 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: 7 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1261.066917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.066917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.066917 (E_RNA) where: Base-Base interactions energy: -850.793 where: short stacking energy: -357.369 Base-Backbone interact. energy: -1.065 local terms energy: -409.208978 where: bonds (distance) C4'-P energy: -85.254 bonds (distance) P-C4' energy: -79.365 flat angles C4'-P-C4' energy: -81.007 flat angles P-C4'-P energy: -52.594 tors. eta vs tors. theta energy: -110.988 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: 2 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1247.309495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.309495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.309495 (E_RNA) where: Base-Base interactions energy: -827.570 where: short stacking energy: -387.602 Base-Backbone interact. energy: -2.613 local terms energy: -417.126704 where: bonds (distance) C4'-P energy: -70.284 bonds (distance) P-C4' energy: -78.267 flat angles C4'-P-C4' energy: -87.442 flat angles P-C4'-P energy: -66.426 tors. eta vs tors. theta energy: -114.707 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: 9 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1126.955275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.955275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.955275 (E_RNA) where: Base-Base interactions energy: -763.715 where: short stacking energy: -352.690 Base-Backbone interact. energy: -2.804 local terms energy: -360.436281 where: bonds (distance) C4'-P energy: -67.442 bonds (distance) P-C4' energy: -73.996 flat angles C4'-P-C4' energy: -70.109 flat angles P-C4'-P energy: -54.272 tors. eta vs tors. theta energy: -94.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1046.182320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.182320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.182320 (E_RNA) where: Base-Base interactions energy: -685.078 where: short stacking energy: -312.566 Base-Backbone interact. energy: -1.324 local terms energy: -359.780766 where: bonds (distance) C4'-P energy: -67.439 bonds (distance) P-C4' energy: -74.382 flat angles C4'-P-C4' energy: -85.568 flat angles P-C4'-P energy: -50.080 tors. eta vs tors. theta energy: -82.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -866.981159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.981159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.981159 (E_RNA) where: Base-Base interactions energy: -522.375 where: short stacking energy: -250.464 Base-Backbone interact. energy: -0.346 local terms energy: -344.260136 where: bonds (distance) C4'-P energy: -74.169 bonds (distance) P-C4' energy: -81.098 flat angles C4'-P-C4' energy: -79.276 flat angles P-C4'-P energy: -56.790 tors. eta vs tors. theta energy: -52.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -727.422023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.422023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.422023 (E_RNA) where: Base-Base interactions energy: -420.655 where: short stacking energy: -210.707 Base-Backbone interact. energy: 0.168 local terms energy: -306.934807 where: bonds (distance) C4'-P energy: -71.111 bonds (distance) P-C4' energy: -58.221 flat angles C4'-P-C4' energy: -78.640 flat angles P-C4'-P energy: -47.109 tors. eta vs tors. theta energy: -51.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -576.978156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.978156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.978156 (E_RNA) where: Base-Base interactions energy: -329.638 where: short stacking energy: -179.579 Base-Backbone interact. energy: 0.955 local terms energy: -248.294824 where: bonds (distance) C4'-P energy: -58.106 bonds (distance) P-C4' energy: -73.900 flat angles C4'-P-C4' energy: -68.671 flat angles P-C4'-P energy: -32.862 tors. eta vs tors. theta energy: -14.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -543.874743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.874743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.874743 (E_RNA) where: Base-Base interactions energy: -285.259 where: short stacking energy: -138.228 Base-Backbone interact. energy: 1.700 local terms energy: -260.315736 where: bonds (distance) C4'-P energy: -76.118 bonds (distance) P-C4' energy: -72.718 flat angles C4'-P-C4' energy: -58.135 flat angles P-C4'-P energy: -39.487 tors. eta vs tors. theta energy: -13.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -320.321987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.321987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.321987 (E_RNA) where: Base-Base interactions energy: -113.397 where: short stacking energy: -104.988 Base-Backbone interact. energy: 0.877 local terms energy: -207.802054 where: bonds (distance) C4'-P energy: -70.268 bonds (distance) P-C4' energy: -73.646 flat angles C4'-P-C4' energy: -53.169 flat angles P-C4'-P energy: -17.797 tors. eta vs tors. theta energy: 7.078 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: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1359.731096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.731096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.731096 (E_RNA) where: Base-Base interactions energy: -925.514 where: short stacking energy: -410.638 Base-Backbone interact. energy: -0.730 local terms energy: -433.487876 where: bonds (distance) C4'-P energy: -77.720 bonds (distance) P-C4' energy: -84.739 flat angles C4'-P-C4' energy: -84.107 flat angles P-C4'-P energy: -65.249 tors. eta vs tors. theta energy: -121.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1281.239232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.239232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.239232 (E_RNA) where: Base-Base interactions energy: -878.485 where: short stacking energy: -381.854 Base-Backbone interact. energy: -1.810 local terms energy: -400.943812 where: bonds (distance) C4'-P energy: -79.500 bonds (distance) P-C4' energy: -77.872 flat angles C4'-P-C4' energy: -83.307 flat angles P-C4'-P energy: -55.148 tors. eta vs tors. theta energy: -105.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1201.739538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.739538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.739538 (E_RNA) where: Base-Base interactions energy: -804.927 where: short stacking energy: -350.649 Base-Backbone interact. energy: -2.360 local terms energy: -394.452891 where: bonds (distance) C4'-P energy: -75.046 bonds (distance) P-C4' energy: -72.980 flat angles C4'-P-C4' energy: -84.022 flat angles P-C4'-P energy: -56.608 tors. eta vs tors. theta energy: -105.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1143.701872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.701872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.701872 (E_RNA) where: Base-Base interactions energy: -764.655 where: short stacking energy: -350.666 Base-Backbone interact. energy: -2.258 local terms energy: -376.789212 where: bonds (distance) C4'-P energy: -76.222 bonds (distance) P-C4' energy: -75.197 flat angles C4'-P-C4' energy: -71.657 flat angles P-C4'-P energy: -55.254 tors. eta vs tors. theta energy: -98.459 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: 185 Temperature: 1.100000 Total energy: -1042.975037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.975037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.975037 (E_RNA) where: Base-Base interactions energy: -693.775 where: short stacking energy: -304.457 Base-Backbone interact. energy: -3.731 local terms energy: -345.469383 where: bonds (distance) C4'-P energy: -64.660 bonds (distance) P-C4' energy: -64.988 flat angles C4'-P-C4' energy: -74.310 flat angles P-C4'-P energy: -49.218 tors. eta vs tors. theta energy: -92.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -852.175390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.175390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.175390 (E_RNA) where: Base-Base interactions energy: -538.786 where: short stacking energy: -259.513 Base-Backbone interact. energy: 0.722 local terms energy: -314.112023 where: bonds (distance) C4'-P energy: -69.036 bonds (distance) P-C4' energy: -66.416 flat angles C4'-P-C4' energy: -69.649 flat angles P-C4'-P energy: -50.692 tors. eta vs tors. theta energy: -58.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -699.442289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.442289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.442289 (E_RNA) where: Base-Base interactions energy: -424.986 where: short stacking energy: -214.379 Base-Backbone interact. energy: -0.184 local terms energy: -274.272055 where: bonds (distance) C4'-P energy: -65.663 bonds (distance) P-C4' energy: -75.498 flat angles C4'-P-C4' energy: -63.694 flat angles P-C4'-P energy: -39.100 tors. eta vs tors. theta energy: -30.317 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: 6 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -610.933496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.933496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.933496 (E_RNA) where: Base-Base interactions energy: -350.454 where: short stacking energy: -210.658 Base-Backbone interact. energy: -0.618 local terms energy: -259.861621 where: bonds (distance) C4'-P energy: -55.642 bonds (distance) P-C4' energy: -72.456 flat angles C4'-P-C4' energy: -55.758 flat angles P-C4'-P energy: -50.547 tors. eta vs tors. theta energy: -25.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -525.173030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.173030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.173030 (E_RNA) where: Base-Base interactions energy: -270.184 where: short stacking energy: -143.937 Base-Backbone interact. energy: 0.940 local terms energy: -255.929219 where: bonds (distance) C4'-P energy: -59.351 bonds (distance) P-C4' energy: -82.473 flat angles C4'-P-C4' energy: -65.294 flat angles P-C4'-P energy: -41.846 tors. eta vs tors. theta energy: -6.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -326.322411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.322411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.322411 (E_RNA) where: Base-Base interactions energy: -114.850 where: short stacking energy: -81.286 Base-Backbone interact. energy: -0.602 local terms energy: -210.870193 where: bonds (distance) C4'-P energy: -46.294 bonds (distance) P-C4' energy: -68.810 flat angles C4'-P-C4' energy: -65.056 flat angles P-C4'-P energy: -39.020 tors. eta vs tors. theta energy: 8.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1369.831925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.831925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.831925 (E_RNA) where: Base-Base interactions energy: -930.259 where: short stacking energy: -426.391 Base-Backbone interact. energy: -0.394 local terms energy: -439.178375 where: bonds (distance) C4'-P energy: -75.464 bonds (distance) P-C4' energy: -87.173 flat angles C4'-P-C4' energy: -86.507 flat angles P-C4'-P energy: -65.349 tors. eta vs tors. theta energy: -124.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1298.958696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.958696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.958696 (E_RNA) where: Base-Base interactions energy: -863.519 where: short stacking energy: -382.162 Base-Backbone interact. energy: 2.702 local terms energy: -438.140802 where: bonds (distance) C4'-P energy: -78.709 bonds (distance) P-C4' energy: -83.610 flat angles C4'-P-C4' energy: -88.929 flat angles P-C4'-P energy: -62.354 tors. eta vs tors. theta energy: -124.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1199.688607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.688607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.688607 (E_RNA) where: Base-Base interactions energy: -804.527 where: short stacking energy: -388.801 Base-Backbone interact. energy: -1.823 local terms energy: -393.338540 where: bonds (distance) C4'-P energy: -69.418 bonds (distance) P-C4' energy: -74.775 flat angles C4'-P-C4' energy: -85.384 flat angles P-C4'-P energy: -51.023 tors. eta vs tors. theta energy: -112.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1137.908235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.908235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.908235 (E_RNA) where: Base-Base interactions energy: -771.670 where: short stacking energy: -367.838 Base-Backbone interact. energy: -2.060 local terms energy: -364.178790 where: bonds (distance) C4'-P energy: -66.389 bonds (distance) P-C4' energy: -76.622 flat angles C4'-P-C4' energy: -79.120 flat angles P-C4'-P energy: -46.387 tors. eta vs tors. theta energy: -95.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1054.728571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.728571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.728571 (E_RNA) where: Base-Base interactions energy: -692.196 where: short stacking energy: -340.506 Base-Backbone interact. energy: -3.021 local terms energy: -359.511718 where: bonds (distance) C4'-P energy: -61.633 bonds (distance) P-C4' energy: -72.642 flat angles C4'-P-C4' energy: -75.818 flat angles P-C4'-P energy: -57.800 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: 6, replica: 4 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -899.098842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.098842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.098842 (E_RNA) where: Base-Base interactions energy: -576.087 where: short stacking energy: -261.070 Base-Backbone interact. energy: -2.235 local terms energy: -320.777513 where: bonds (distance) C4'-P energy: -80.945 bonds (distance) P-C4' energy: -73.084 flat angles C4'-P-C4' energy: -77.162 flat angles P-C4'-P energy: -31.150 tors. eta vs tors. theta energy: -58.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -731.788372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.788372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.788372 (E_RNA) where: Base-Base interactions energy: -426.462 where: short stacking energy: -215.840 Base-Backbone interact. energy: 2.119 local terms energy: -307.445959 where: bonds (distance) C4'-P energy: -78.096 bonds (distance) P-C4' energy: -73.361 flat angles C4'-P-C4' energy: -71.113 flat angles P-C4'-P energy: -43.391 tors. eta vs tors. theta energy: -41.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -639.896342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.896342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.896342 (E_RNA) where: Base-Base interactions energy: -358.567 where: short stacking energy: -187.736 Base-Backbone interact. energy: -1.544 local terms energy: -279.784453 where: bonds (distance) C4'-P energy: -66.922 bonds (distance) P-C4' energy: -72.585 flat angles C4'-P-C4' energy: -69.674 flat angles P-C4'-P energy: -37.227 tors. eta vs tors. theta energy: -33.376 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: 5 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -534.282175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.282175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.282175 (E_RNA) where: Base-Base interactions energy: -278.498 where: short stacking energy: -158.376 Base-Backbone interact. energy: -1.976 local terms energy: -253.807804 where: bonds (distance) C4'-P energy: -57.949 bonds (distance) P-C4' energy: -56.539 flat angles C4'-P-C4' energy: -69.526 flat angles P-C4'-P energy: -51.083 tors. eta vs tors. theta energy: -18.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -322.977570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.977570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.977570 (E_RNA) where: Base-Base interactions energy: -114.698 where: short stacking energy: -95.054 Base-Backbone interact. energy: 2.746 local terms energy: -211.026462 where: bonds (distance) C4'-P energy: -71.199 bonds (distance) P-C4' energy: -78.023 flat angles C4'-P-C4' energy: -46.886 flat angles P-C4'-P energy: -32.363 tors. eta vs tors. theta energy: 17.444 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: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1380.439285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.439285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.439285 (E_RNA) where: Base-Base interactions energy: -957.149 where: short stacking energy: -412.394 Base-Backbone interact. energy: -0.264 local terms energy: -423.026614 where: bonds (distance) C4'-P energy: -80.617 bonds (distance) P-C4' energy: -75.942 flat angles C4'-P-C4' energy: -85.518 flat angles P-C4'-P energy: -58.693 tors. eta vs tors. theta energy: -122.258 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: 7 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1292.671756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.671756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.671756 (E_RNA) where: Base-Base interactions energy: -878.765 where: short stacking energy: -373.191 Base-Backbone interact. energy: -3.471 local terms energy: -410.435444 where: bonds (distance) C4'-P energy: -77.190 bonds (distance) P-C4' energy: -74.924 flat angles C4'-P-C4' energy: -85.450 flat angles P-C4'-P energy: -63.185 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: 3, replica: 2 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1187.866049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.866049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.866049 (E_RNA) where: Base-Base interactions energy: -810.750 where: short stacking energy: -366.472 Base-Backbone interact. energy: -2.208 local terms energy: -374.907969 where: bonds (distance) C4'-P energy: -67.792 bonds (distance) P-C4' energy: -81.242 flat angles C4'-P-C4' energy: -80.597 flat angles P-C4'-P energy: -47.921 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: 4, replica: 9 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1172.104956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.104956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.104956 (E_RNA) where: Base-Base interactions energy: -792.054 where: short stacking energy: -376.889 Base-Backbone interact. energy: -1.040 local terms energy: -379.010709 where: bonds (distance) C4'-P energy: -75.268 bonds (distance) P-C4' energy: -65.773 flat angles C4'-P-C4' energy: -77.832 flat angles P-C4'-P energy: -57.391 tors. eta vs tors. theta energy: -102.747 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: 187 Temperature: 1.100000 Total energy: -995.083871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.083871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.083871 (E_RNA) where: Base-Base interactions energy: -631.142 where: short stacking energy: -308.832 Base-Backbone interact. energy: 0.395 local terms energy: -364.336535 where: bonds (distance) C4'-P energy: -58.214 bonds (distance) P-C4' energy: -83.281 flat angles C4'-P-C4' energy: -86.521 flat angles P-C4'-P energy: -59.087 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: 6, replica: 4 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -838.881941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.881941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.881941 (E_RNA) where: Base-Base interactions energy: -529.752 where: short stacking energy: -245.179 Base-Backbone interact. energy: -0.464 local terms energy: -308.665481 where: bonds (distance) C4'-P energy: -79.848 bonds (distance) P-C4' energy: -71.055 flat angles C4'-P-C4' energy: -62.725 flat angles P-C4'-P energy: -38.559 tors. eta vs tors. theta energy: -56.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -740.378598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.378598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.378598 (E_RNA) where: Base-Base interactions energy: -456.539 where: short stacking energy: -207.893 Base-Backbone interact. energy: 0.750 local terms energy: -284.589675 where: bonds (distance) C4'-P energy: -69.612 bonds (distance) P-C4' energy: -58.912 flat angles C4'-P-C4' energy: -66.581 flat angles P-C4'-P energy: -40.018 tors. eta vs tors. theta energy: -49.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -609.824951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.824951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.824951 (E_RNA) where: Base-Base interactions energy: -344.948 where: short stacking energy: -178.047 Base-Backbone interact. energy: 3.488 local terms energy: -268.365494 where: bonds (distance) C4'-P energy: -61.983 bonds (distance) P-C4' energy: -73.977 flat angles C4'-P-C4' energy: -61.178 flat angles P-C4'-P energy: -39.168 tors. eta vs tors. theta energy: -32.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -516.064634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.064634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.064634 (E_RNA) where: Base-Base interactions energy: -262.790 where: short stacking energy: -134.486 Base-Backbone interact. energy: -1.245 local terms energy: -252.029294 where: bonds (distance) C4'-P energy: -66.196 bonds (distance) P-C4' energy: -70.867 flat angles C4'-P-C4' energy: -49.815 flat angles P-C4'-P energy: -52.694 tors. eta vs tors. theta energy: -12.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -316.559808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.559808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.559808 (E_RNA) where: Base-Base interactions energy: -121.289 where: short stacking energy: -91.397 Base-Backbone interact. energy: -1.680 local terms energy: -193.590096 where: bonds (distance) C4'-P energy: -50.787 bonds (distance) P-C4' energy: -75.568 flat angles C4'-P-C4' energy: -60.013 flat angles P-C4'-P energy: -20.003 tors. eta vs tors. theta energy: 12.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1384.128981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.128981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.128981 (E_RNA) where: Base-Base interactions energy: -927.948 where: short stacking energy: -407.437 Base-Backbone interact. energy: -0.282 local terms energy: -455.898744 where: bonds (distance) C4'-P energy: -87.341 bonds (distance) P-C4' energy: -83.402 flat angles C4'-P-C4' energy: -91.824 flat angles P-C4'-P energy: -71.146 tors. eta vs tors. theta energy: -122.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1265.609260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.609260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.609260 (E_RNA) where: Base-Base interactions energy: -866.429 where: short stacking energy: -360.975 Base-Backbone interact. energy: -0.735 local terms energy: -398.445970 where: bonds (distance) C4'-P energy: -73.130 bonds (distance) P-C4' energy: -78.022 flat angles C4'-P-C4' energy: -85.184 flat angles P-C4'-P energy: -53.508 tors. eta vs tors. theta energy: -108.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1177.326283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.326283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.326283 (E_RNA) where: Base-Base interactions energy: -801.405 where: short stacking energy: -363.110 Base-Backbone interact. energy: -1.308 local terms energy: -374.613306 where: bonds (distance) C4'-P energy: -73.316 bonds (distance) P-C4' energy: -80.013 flat angles C4'-P-C4' energy: -77.715 flat angles P-C4'-P energy: -43.923 tors. eta vs tors. theta energy: -99.645 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: 9 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1117.421254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.421254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.421254 (E_RNA) where: Base-Base interactions energy: -754.977 where: short stacking energy: -351.350 Base-Backbone interact. energy: -0.919 local terms energy: -361.524855 where: bonds (distance) C4'-P energy: -64.977 bonds (distance) P-C4' energy: -75.390 flat angles C4'-P-C4' energy: -72.989 flat angles P-C4'-P energy: -53.622 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: 5, replica: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -991.931064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.931064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.931064 (E_RNA) where: Base-Base interactions energy: -634.968 where: short stacking energy: -303.968 Base-Backbone interact. energy: -0.966 local terms energy: -355.996288 where: bonds (distance) C4'-P energy: -72.828 bonds (distance) P-C4' energy: -68.498 flat angles C4'-P-C4' energy: -78.948 flat angles P-C4'-P energy: -53.327 tors. eta vs tors. theta energy: -82.395 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: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -838.023978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.023978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.023978 (E_RNA) where: Base-Base interactions energy: -510.857 where: short stacking energy: -230.597 Base-Backbone interact. energy: -0.637 local terms energy: -326.529614 where: bonds (distance) C4'-P energy: -75.224 bonds (distance) P-C4' energy: -73.365 flat angles C4'-P-C4' energy: -73.078 flat angles P-C4'-P energy: -54.643 tors. eta vs tors. theta energy: -50.219 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: 3 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -730.620057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.620057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.620057 (E_RNA) where: Base-Base interactions energy: -453.517 where: short stacking energy: -227.803 Base-Backbone interact. energy: -1.616 local terms energy: -275.486672 where: bonds (distance) C4'-P energy: -69.271 bonds (distance) P-C4' energy: -77.830 flat angles C4'-P-C4' energy: -55.467 flat angles P-C4'-P energy: -29.111 tors. eta vs tors. theta energy: -43.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -614.303435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.303435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.303435 (E_RNA) where: Base-Base interactions energy: -352.496 where: short stacking energy: -196.863 Base-Backbone interact. energy: 1.333 local terms energy: -263.141017 where: bonds (distance) C4'-P energy: -59.167 bonds (distance) P-C4' energy: -65.185 flat angles C4'-P-C4' energy: -72.596 flat angles P-C4'-P energy: -31.591 tors. eta vs tors. theta energy: -34.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -471.288363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.288363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.288363 (E_RNA) where: Base-Base interactions energy: -217.011 where: short stacking energy: -126.319 Base-Backbone interact. energy: -0.862 local terms energy: -253.415031 where: bonds (distance) C4'-P energy: -68.353 bonds (distance) P-C4' energy: -67.462 flat angles C4'-P-C4' energy: -66.355 flat angles P-C4'-P energy: -41.530 tors. eta vs tors. theta energy: -9.716 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: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -319.609651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.609651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.609651 (E_RNA) where: Base-Base interactions energy: -117.378 where: short stacking energy: -75.342 Base-Backbone interact. energy: 1.179 local terms energy: -203.410660 where: bonds (distance) C4'-P energy: -55.567 bonds (distance) P-C4' energy: -68.502 flat angles C4'-P-C4' energy: -58.856 flat angles P-C4'-P energy: -38.489 tors. eta vs tors. theta energy: 18.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1360.952169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.952169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.952169 (E_RNA) where: Base-Base interactions energy: -923.573 where: short stacking energy: -419.005 Base-Backbone interact. energy: 0.682 local terms energy: -438.061423 where: bonds (distance) C4'-P energy: -80.020 bonds (distance) P-C4' energy: -79.770 flat angles C4'-P-C4' energy: -95.562 flat angles P-C4'-P energy: -62.626 tors. eta vs tors. theta energy: -120.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1276.436982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.436982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.436982 (E_RNA) where: Base-Base interactions energy: -859.817 where: short stacking energy: -367.327 Base-Backbone interact. energy: -0.732 local terms energy: -415.888744 where: bonds (distance) C4'-P energy: -78.955 bonds (distance) P-C4' energy: -85.148 flat angles C4'-P-C4' energy: -83.285 flat angles P-C4'-P energy: -62.162 tors. eta vs tors. theta energy: -106.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1217.626607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.626607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.626607 (E_RNA) where: Base-Base interactions energy: -816.878 where: short stacking energy: -384.662 Base-Backbone interact. energy: -3.080 local terms energy: -397.668512 where: bonds (distance) C4'-P energy: -64.163 bonds (distance) P-C4' energy: -90.851 flat angles C4'-P-C4' energy: -85.405 flat angles P-C4'-P energy: -51.549 tors. eta vs tors. theta energy: -105.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1166.404721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.404721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.404721 (E_RNA) where: Base-Base interactions energy: -780.182 where: short stacking energy: -358.318 Base-Backbone interact. energy: -2.094 local terms energy: -384.129044 where: bonds (distance) C4'-P energy: -67.719 bonds (distance) P-C4' energy: -79.308 flat angles C4'-P-C4' energy: -79.186 flat angles P-C4'-P energy: -53.359 tors. eta vs tors. theta energy: -104.557 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: 5, replica: 1 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1004.958317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.958317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.958317 (E_RNA) where: Base-Base interactions energy: -651.138 where: short stacking energy: -316.293 Base-Backbone interact. energy: 2.130 local terms energy: -355.950030 where: bonds (distance) C4'-P energy: -76.655 bonds (distance) P-C4' energy: -77.702 flat angles C4'-P-C4' energy: -71.262 flat angles P-C4'-P energy: -51.925 tors. eta vs tors. theta energy: -78.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -906.724859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.724859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.724859 (E_RNA) where: Base-Base interactions energy: -565.967 where: short stacking energy: -265.369 Base-Backbone interact. energy: -2.047 local terms energy: -338.710440 where: bonds (distance) C4'-P energy: -72.696 bonds (distance) P-C4' energy: -68.287 flat angles C4'-P-C4' energy: -73.009 flat angles P-C4'-P energy: -49.993 tors. eta vs tors. theta energy: -74.725 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: 189 Temperature: 1.200000 Total energy: -740.242153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.242153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.242153 (E_RNA) where: Base-Base interactions energy: -461.294 where: short stacking energy: -208.433 Base-Backbone interact. energy: -1.378 local terms energy: -277.570174 where: bonds (distance) C4'-P energy: -67.284 bonds (distance) P-C4' energy: -56.310 flat angles C4'-P-C4' energy: -62.904 flat angles P-C4'-P energy: -43.207 tors. eta vs tors. theta energy: -47.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -610.963235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.963235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.963235 (E_RNA) where: Base-Base interactions energy: -344.475 where: short stacking energy: -176.455 Base-Backbone interact. energy: -2.124 local terms energy: -264.364242 where: bonds (distance) C4'-P energy: -51.053 bonds (distance) P-C4' energy: -70.504 flat angles C4'-P-C4' energy: -61.218 flat angles P-C4'-P energy: -51.520 tors. eta vs tors. theta energy: -30.070 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: 5 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -493.072765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.072765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.072765 (E_RNA) where: Base-Base interactions energy: -245.944 where: short stacking energy: -128.312 Base-Backbone interact. energy: 2.674 local terms energy: -249.802176 where: bonds (distance) C4'-P energy: -68.550 bonds (distance) P-C4' energy: -73.855 flat angles C4'-P-C4' energy: -68.036 flat angles P-C4'-P energy: -30.369 tors. eta vs tors. theta energy: -8.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -342.103112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.103112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.103112 (E_RNA) where: Base-Base interactions energy: -121.444 where: short stacking energy: -116.479 Base-Backbone interact. energy: -1.225 local terms energy: -219.433599 where: bonds (distance) C4'-P energy: -69.343 bonds (distance) P-C4' energy: -71.122 flat angles C4'-P-C4' energy: -61.496 flat angles P-C4'-P energy: -31.793 tors. eta vs tors. theta energy: 14.321 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: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1366.604021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.604021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.604021 (E_RNA) where: Base-Base interactions energy: -918.829 where: short stacking energy: -412.620 Base-Backbone interact. energy: -1.712 local terms energy: -446.063219 where: bonds (distance) C4'-P energy: -82.248 bonds (distance) P-C4' energy: -83.770 flat angles C4'-P-C4' energy: -93.148 flat angles P-C4'-P energy: -62.055 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: 2, replica: 7 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1286.747841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.747841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.747841 (E_RNA) where: Base-Base interactions energy: -870.050 where: short stacking energy: -369.736 Base-Backbone interact. energy: 2.607 local terms energy: -419.305292 where: bonds (distance) C4'-P energy: -79.168 bonds (distance) P-C4' energy: -81.302 flat angles C4'-P-C4' energy: -85.336 flat angles P-C4'-P energy: -64.901 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: 3, replica: 9 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1201.301831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.301831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.301831 (E_RNA) where: Base-Base interactions energy: -797.823 where: short stacking energy: -380.802 Base-Backbone interact. energy: -0.381 local terms energy: -403.097845 where: bonds (distance) C4'-P energy: -77.919 bonds (distance) P-C4' energy: -80.576 flat angles C4'-P-C4' energy: -86.556 flat angles P-C4'-P energy: -51.709 tors. eta vs tors. theta energy: -106.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1179.267705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.267705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.267705 (E_RNA) where: Base-Base interactions energy: -785.520 where: short stacking energy: -351.399 Base-Backbone interact. energy: -1.729 local terms energy: -392.019252 where: bonds (distance) C4'-P energy: -64.200 bonds (distance) P-C4' energy: -74.684 flat angles C4'-P-C4' energy: -96.080 flat angles P-C4'-P energy: -53.369 tors. eta vs tors. theta energy: -103.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -998.009305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.009305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.009305 (E_RNA) where: Base-Base interactions energy: -672.382 where: short stacking energy: -322.475 Base-Backbone interact. energy: -0.459 local terms energy: -325.167872 where: bonds (distance) C4'-P energy: -64.157 bonds (distance) P-C4' energy: -64.004 flat angles C4'-P-C4' energy: -68.780 flat angles P-C4'-P energy: -43.777 tors. eta vs tors. theta energy: -84.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -884.834444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.834444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.834444 (E_RNA) where: Base-Base interactions energy: -573.819 where: short stacking energy: -301.680 Base-Backbone interact. energy: -1.993 local terms energy: -309.021568 where: bonds (distance) C4'-P energy: -64.430 bonds (distance) P-C4' energy: -57.926 flat angles C4'-P-C4' energy: -70.908 flat angles P-C4'-P energy: -41.064 tors. eta vs tors. theta energy: -74.694 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: 3 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -769.424951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.424951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.424951 (E_RNA) where: Base-Base interactions energy: -457.207 where: short stacking energy: -228.745 Base-Backbone interact. energy: -2.157 local terms energy: -310.060828 where: bonds (distance) C4'-P energy: -69.060 bonds (distance) P-C4' energy: -84.100 flat angles C4'-P-C4' energy: -74.243 flat angles P-C4'-P energy: -30.781 tors. eta vs tors. theta energy: -51.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -644.037835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.037835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.037835 (E_RNA) where: Base-Base interactions energy: -359.492 where: short stacking energy: -193.081 Base-Backbone interact. energy: -0.347 local terms energy: -284.199255 where: bonds (distance) C4'-P energy: -68.102 bonds (distance) P-C4' energy: -77.352 flat angles C4'-P-C4' energy: -65.056 flat angles P-C4'-P energy: -45.207 tors. eta vs tors. theta energy: -28.483 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: 9, replica: 5 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -493.788070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.788070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.788070 (E_RNA) where: Base-Base interactions energy: -261.000 where: short stacking energy: -165.423 Base-Backbone interact. energy: 3.404 local terms energy: -236.191877 where: bonds (distance) C4'-P energy: -64.049 bonds (distance) P-C4' energy: -63.362 flat angles C4'-P-C4' energy: -62.540 flat angles P-C4'-P energy: -39.369 tors. eta vs tors. theta energy: -6.873 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: 190 Temperature: 1.350000 Total energy: -326.746039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.746039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.746039 (E_RNA) where: Base-Base interactions energy: -114.481 where: short stacking energy: -86.158 Base-Backbone interact. energy: -1.977 local terms energy: -210.287243 where: bonds (distance) C4'-P energy: -56.282 bonds (distance) P-C4' energy: -72.712 flat angles C4'-P-C4' energy: -56.686 flat angles P-C4'-P energy: -46.180 tors. eta vs tors. theta energy: 21.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1373.608861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.608861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.608861 (E_RNA) where: Base-Base interactions energy: -916.070 where: short stacking energy: -430.367 Base-Backbone interact. energy: -1.134 local terms energy: -456.404564 where: bonds (distance) C4'-P energy: -79.836 bonds (distance) P-C4' energy: -87.020 flat angles C4'-P-C4' energy: -94.634 flat angles P-C4'-P energy: -63.602 tors. eta vs tors. theta energy: -131.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1305.857267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.857267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.857267 (E_RNA) where: Base-Base interactions energy: -880.105 where: short stacking energy: -375.624 Base-Backbone interact. energy: 1.154 local terms energy: -426.906756 where: bonds (distance) C4'-P energy: -76.485 bonds (distance) P-C4' energy: -85.382 flat angles C4'-P-C4' energy: -98.097 flat angles P-C4'-P energy: -54.793 tors. eta vs tors. theta energy: -112.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1229.146556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.146556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.146556 (E_RNA) where: Base-Base interactions energy: -815.588 where: short stacking energy: -370.451 Base-Backbone interact. energy: -1.377 local terms energy: -412.181197 where: bonds (distance) C4'-P energy: -75.820 bonds (distance) P-C4' energy: -64.014 flat angles C4'-P-C4' energy: -90.278 flat angles P-C4'-P energy: -58.559 tors. eta vs tors. theta energy: -123.510 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: 2 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1163.259617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.259617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.259617 (E_RNA) where: Base-Base interactions energy: -771.450 where: short stacking energy: -358.095 Base-Backbone interact. energy: -1.943 local terms energy: -389.867146 where: bonds (distance) C4'-P energy: -78.052 bonds (distance) P-C4' energy: -70.610 flat angles C4'-P-C4' energy: -73.391 flat angles P-C4'-P energy: -61.941 tors. eta vs tors. theta energy: -105.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1005.165530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.165530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.165530 (E_RNA) where: Base-Base interactions energy: -661.924 where: short stacking energy: -316.963 Base-Backbone interact. energy: -0.753 local terms energy: -342.488036 where: bonds (distance) C4'-P energy: -65.339 bonds (distance) P-C4' energy: -71.226 flat angles C4'-P-C4' energy: -71.348 flat angles P-C4'-P energy: -51.955 tors. eta vs tors. theta energy: -82.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -907.075311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.075311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.075311 (E_RNA) where: Base-Base interactions energy: -576.243 where: short stacking energy: -267.891 Base-Backbone interact. energy: 2.096 local terms energy: -332.928697 where: bonds (distance) C4'-P energy: -65.843 bonds (distance) P-C4' energy: -72.055 flat angles C4'-P-C4' energy: -79.235 flat angles P-C4'-P energy: -57.052 tors. eta vs tors. theta energy: -58.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -731.631911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.631911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.631911 (E_RNA) where: Base-Base interactions energy: -433.130 where: short stacking energy: -198.421 Base-Backbone interact. energy: -3.734 local terms energy: -294.767342 where: bonds (distance) C4'-P energy: -73.096 bonds (distance) P-C4' energy: -74.083 flat angles C4'-P-C4' energy: -71.669 flat angles P-C4'-P energy: -39.600 tors. eta vs tors. theta energy: -36.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -645.313976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.313976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.313976 (E_RNA) where: Base-Base interactions energy: -361.015 where: short stacking energy: -189.573 Base-Backbone interact. energy: 3.154 local terms energy: -287.453621 where: bonds (distance) C4'-P energy: -79.958 bonds (distance) P-C4' energy: -67.746 flat angles C4'-P-C4' energy: -64.379 flat angles P-C4'-P energy: -44.159 tors. eta vs tors. theta energy: -31.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -470.284559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.284559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.284559 (E_RNA) where: Base-Base interactions energy: -223.135 where: short stacking energy: -120.876 Base-Backbone interact. energy: -0.155 local terms energy: -246.995278 where: bonds (distance) C4'-P energy: -74.602 bonds (distance) P-C4' energy: -69.858 flat angles C4'-P-C4' energy: -67.781 flat angles P-C4'-P energy: -29.233 tors. eta vs tors. theta energy: -5.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -320.738406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.738406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.738406 (E_RNA) where: Base-Base interactions energy: -103.272 where: short stacking energy: -88.618 Base-Backbone interact. energy: -0.915 local terms energy: -216.550683 where: bonds (distance) C4'-P energy: -60.842 bonds (distance) P-C4' energy: -70.279 flat angles C4'-P-C4' energy: -59.559 flat angles P-C4'-P energy: -39.908 tors. eta vs tors. theta energy: 14.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1316.420823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.420823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.420823 (E_RNA) where: Base-Base interactions energy: -894.125 where: short stacking energy: -397.745 Base-Backbone interact. energy: -1.079 local terms energy: -421.216623 where: bonds (distance) C4'-P energy: -77.302 bonds (distance) P-C4' energy: -81.692 flat angles C4'-P-C4' energy: -88.502 flat angles P-C4'-P energy: -59.714 tors. eta vs tors. theta energy: -114.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1355.181459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.181459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.181459 (E_RNA) where: Base-Base interactions energy: -923.651 where: short stacking energy: -423.181 Base-Backbone interact. energy: -1.756 local terms energy: -429.774889 where: bonds (distance) C4'-P energy: -83.124 bonds (distance) P-C4' energy: -77.993 flat angles C4'-P-C4' energy: -79.316 flat angles P-C4'-P energy: -60.819 tors. eta vs tors. theta energy: -128.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1241.394843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.394843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.394843 (E_RNA) where: Base-Base interactions energy: -817.029 where: short stacking energy: -374.795 Base-Backbone interact. energy: -2.005 local terms energy: -422.360393 where: bonds (distance) C4'-P energy: -80.674 bonds (distance) P-C4' energy: -88.478 flat angles C4'-P-C4' energy: -84.550 flat angles P-C4'-P energy: -58.983 tors. eta vs tors. theta energy: -109.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1152.451535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.451535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.451535 (E_RNA) where: Base-Base interactions energy: -781.784 where: short stacking energy: -357.488 Base-Backbone interact. energy: -0.259 local terms energy: -370.408373 where: bonds (distance) C4'-P energy: -72.575 bonds (distance) P-C4' energy: -59.751 flat angles C4'-P-C4' energy: -84.831 flat angles P-C4'-P energy: -54.529 tors. eta vs tors. theta energy: -98.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1023.688205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.688205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.688205 (E_RNA) where: Base-Base interactions energy: -660.010 where: short stacking energy: -295.488 Base-Backbone interact. energy: 0.261 local terms energy: -363.938907 where: bonds (distance) C4'-P energy: -82.239 bonds (distance) P-C4' energy: -70.875 flat angles C4'-P-C4' energy: -82.336 flat angles P-C4'-P energy: -51.619 tors. eta vs tors. theta energy: -76.870 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: 4 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -909.985942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.985942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.985942 (E_RNA) where: Base-Base interactions energy: -600.517 where: short stacking energy: -267.343 Base-Backbone interact. energy: -1.576 local terms energy: -307.892594 where: bonds (distance) C4'-P energy: -57.320 bonds (distance) P-C4' energy: -67.729 flat angles C4'-P-C4' energy: -70.441 flat angles P-C4'-P energy: -44.652 tors. eta vs tors. theta energy: -67.750 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: 3 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -730.293233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.293233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.293233 (E_RNA) where: Base-Base interactions energy: -445.304 where: short stacking energy: -200.266 Base-Backbone interact. energy: -1.497 local terms energy: -283.492847 where: bonds (distance) C4'-P energy: -81.926 bonds (distance) P-C4' energy: -62.591 flat angles C4'-P-C4' energy: -68.143 flat angles P-C4'-P energy: -43.074 tors. eta vs tors. theta energy: -27.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -587.489096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.489096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.489096 (E_RNA) where: Base-Base interactions energy: -340.147 where: short stacking energy: -182.437 Base-Backbone interact. energy: -0.827 local terms energy: -246.515766 where: bonds (distance) C4'-P energy: -51.092 bonds (distance) P-C4' energy: -58.915 flat angles C4'-P-C4' energy: -74.808 flat angles P-C4'-P energy: -42.102 tors. eta vs tors. theta energy: -19.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -484.896783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.896783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.896783 (E_RNA) where: Base-Base interactions energy: -249.975 where: short stacking energy: -148.909 Base-Backbone interact. energy: -0.379 local terms energy: -234.543005 where: bonds (distance) C4'-P energy: -62.600 bonds (distance) P-C4' energy: -78.550 flat angles C4'-P-C4' energy: -69.571 flat angles P-C4'-P energy: -23.707 tors. eta vs tors. theta energy: -0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -322.688651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.688651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.688651 (E_RNA) where: Base-Base interactions energy: -115.052 where: short stacking energy: -102.344 Base-Backbone interact. energy: -1.688 local terms energy: -205.949063 where: bonds (distance) C4'-P energy: -55.627 bonds (distance) P-C4' energy: -67.764 flat angles C4'-P-C4' energy: -58.613 flat angles P-C4'-P energy: -33.012 tors. eta vs tors. theta energy: 9.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1296.295556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.295556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.295556 (E_RNA) where: Base-Base interactions energy: -887.463 where: short stacking energy: -376.827 Base-Backbone interact. energy: -0.774 local terms energy: -408.058762 where: bonds (distance) C4'-P energy: -70.174 bonds (distance) P-C4' energy: -83.769 flat angles C4'-P-C4' energy: -91.062 flat angles P-C4'-P energy: -57.115 tors. eta vs tors. theta energy: -105.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1345.029466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.029466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.029466 (E_RNA) where: Base-Base interactions energy: -907.340 where: short stacking energy: -418.588 Base-Backbone interact. energy: -0.459 local terms energy: -437.230002 where: bonds (distance) C4'-P energy: -78.742 bonds (distance) P-C4' energy: -79.421 flat angles C4'-P-C4' energy: -93.805 flat angles P-C4'-P energy: -57.242 tors. eta vs tors. theta energy: -128.020 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: 9 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1230.588174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.588174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.588174 (E_RNA) where: Base-Base interactions energy: -821.450 where: short stacking energy: -378.975 Base-Backbone interact. energy: -0.527 local terms energy: -408.610904 where: bonds (distance) C4'-P energy: -77.879 bonds (distance) P-C4' energy: -72.069 flat angles C4'-P-C4' energy: -89.251 flat angles P-C4'-P energy: -56.266 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: 4, replica: 2 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1183.061363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.061363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.061363 (E_RNA) where: Base-Base interactions energy: -790.522 where: short stacking energy: -343.691 Base-Backbone interact. energy: -2.412 local terms energy: -390.128008 where: bonds (distance) C4'-P energy: -80.154 bonds (distance) P-C4' energy: -70.681 flat angles C4'-P-C4' energy: -85.708 flat angles P-C4'-P energy: -52.049 tors. eta vs tors. theta energy: -101.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -995.803216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.803216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.803216 (E_RNA) where: Base-Base interactions energy: -641.949 where: short stacking energy: -321.377 Base-Backbone interact. energy: 2.240 local terms energy: -356.094070 where: bonds (distance) C4'-P energy: -84.157 bonds (distance) P-C4' energy: -57.337 flat angles C4'-P-C4' energy: -83.262 flat angles P-C4'-P energy: -51.344 tors. eta vs tors. theta energy: -79.993 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: 193 Temperature: 1.150000 Total energy: -915.379369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.379369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.379369 (E_RNA) where: Base-Base interactions energy: -565.877 where: short stacking energy: -277.370 Base-Backbone interact. energy: -3.870 local terms energy: -345.632875 where: bonds (distance) C4'-P energy: -82.161 bonds (distance) P-C4' energy: -77.723 flat angles C4'-P-C4' energy: -70.105 flat angles P-C4'-P energy: -49.220 tors. eta vs tors. theta energy: -66.424 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: 7, replica: 3 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -698.872871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.872871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.872871 (E_RNA) where: Base-Base interactions energy: -422.268 where: short stacking energy: -211.593 Base-Backbone interact. energy: -2.739 local terms energy: -273.865637 where: bonds (distance) C4'-P energy: -60.713 bonds (distance) P-C4' energy: -63.822 flat angles C4'-P-C4' energy: -72.195 flat angles P-C4'-P energy: -40.783 tors. eta vs tors. theta energy: -36.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -582.634836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.634836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.634836 (E_RNA) where: Base-Base interactions energy: -299.679 where: short stacking energy: -180.445 Base-Backbone interact. energy: -1.382 local terms energy: -281.573314 where: bonds (distance) C4'-P energy: -68.738 bonds (distance) P-C4' energy: -77.429 flat angles C4'-P-C4' energy: -58.051 flat angles P-C4'-P energy: -47.912 tors. eta vs tors. theta energy: -29.443 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: 5 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -488.403511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.403511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.403511 (E_RNA) where: Base-Base interactions energy: -253.024 where: short stacking energy: -156.181 Base-Backbone interact. energy: -1.526 local terms energy: -233.853867 where: bonds (distance) C4'-P energy: -64.442 bonds (distance) P-C4' energy: -68.273 flat angles C4'-P-C4' energy: -59.099 flat angles P-C4'-P energy: -30.165 tors. eta vs tors. theta energy: -11.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -330.458244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.458244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.458244 (E_RNA) where: Base-Base interactions energy: -132.980 where: short stacking energy: -102.500 Base-Backbone interact. energy: -1.910 local terms energy: -195.568320 where: bonds (distance) C4'-P energy: -55.735 bonds (distance) P-C4' energy: -48.328 flat angles C4'-P-C4' energy: -54.019 flat angles P-C4'-P energy: -43.246 tors. eta vs tors. theta energy: 5.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1385.719336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.719336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.719336 (E_RNA) where: Base-Base interactions energy: -940.613 where: short stacking energy: -427.424 Base-Backbone interact. energy: -1.073 local terms energy: -444.033638 where: bonds (distance) C4'-P energy: -76.286 bonds (distance) P-C4' energy: -91.380 flat angles C4'-P-C4' energy: -85.961 flat angles P-C4'-P energy: -62.945 tors. eta vs tors. theta energy: -127.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1274.587393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.587393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.587393 (E_RNA) where: Base-Base interactions energy: -887.086 where: short stacking energy: -369.838 Base-Backbone interact. energy: -1.205 local terms energy: -386.296306 where: bonds (distance) C4'-P energy: -74.913 bonds (distance) P-C4' energy: -71.252 flat angles C4'-P-C4' energy: -81.098 flat angles P-C4'-P energy: -51.466 tors. eta vs tors. theta energy: -107.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1205.188613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.188613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.188613 (E_RNA) where: Base-Base interactions energy: -820.804 where: short stacking energy: -376.946 Base-Backbone interact. energy: -0.967 local terms energy: -383.417462 where: bonds (distance) C4'-P energy: -70.109 bonds (distance) P-C4' energy: -60.619 flat angles C4'-P-C4' energy: -78.895 flat angles P-C4'-P energy: -59.079 tors. eta vs tors. theta energy: -114.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1190.134967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.134967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.134967 (E_RNA) where: Base-Base interactions energy: -787.074 where: short stacking energy: -371.607 Base-Backbone interact. energy: -1.756 local terms energy: -401.305105 where: bonds (distance) C4'-P energy: -60.602 bonds (distance) P-C4' energy: -87.150 flat angles C4'-P-C4' energy: -84.440 flat angles P-C4'-P energy: -61.435 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: 5, replica: 1 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -983.206233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.206233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.206233 (E_RNA) where: Base-Base interactions energy: -630.297 where: short stacking energy: -293.252 Base-Backbone interact. energy: -0.728 local terms energy: -352.181071 where: bonds (distance) C4'-P energy: -69.261 bonds (distance) P-C4' energy: -76.792 flat angles C4'-P-C4' energy: -86.657 flat angles P-C4'-P energy: -52.610 tors. eta vs tors. theta energy: -66.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -875.528418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.528418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.528418 (E_RNA) where: Base-Base interactions energy: -548.313 where: short stacking energy: -261.544 Base-Backbone interact. energy: -0.451 local terms energy: -326.764270 where: bonds (distance) C4'-P energy: -70.042 bonds (distance) P-C4' energy: -69.287 flat angles C4'-P-C4' energy: -75.194 flat angles P-C4'-P energy: -47.663 tors. eta vs tors. theta energy: -64.578 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: 194 Temperature: 1.200000 Total energy: -729.481150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.481150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.481150 (E_RNA) where: Base-Base interactions energy: -421.676 where: short stacking energy: -220.753 Base-Backbone interact. energy: -0.798 local terms energy: -307.006818 where: bonds (distance) C4'-P energy: -77.485 bonds (distance) P-C4' energy: -70.024 flat angles C4'-P-C4' energy: -68.867 flat angles P-C4'-P energy: -46.872 tors. eta vs tors. theta energy: -43.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -578.661713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.661713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.661713 (E_RNA) where: Base-Base interactions energy: -286.770 where: short stacking energy: -186.424 Base-Backbone interact. energy: 2.712 local terms energy: -294.603626 where: bonds (distance) C4'-P energy: -70.592 bonds (distance) P-C4' energy: -92.745 flat angles C4'-P-C4' energy: -64.145 flat angles P-C4'-P energy: -39.136 tors. eta vs tors. theta energy: -27.986 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: 9, replica: 5 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -489.322005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.322005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.322005 (E_RNA) where: Base-Base interactions energy: -256.131 where: short stacking energy: -144.512 Base-Backbone interact. energy: -1.042 local terms energy: -232.149168 where: bonds (distance) C4'-P energy: -69.598 bonds (distance) P-C4' energy: -66.082 flat angles C4'-P-C4' energy: -60.659 flat angles P-C4'-P energy: -26.776 tors. eta vs tors. theta energy: -9.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -326.756723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.756723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.756723 (E_RNA) where: Base-Base interactions energy: -109.625 where: short stacking energy: -94.656 Base-Backbone interact. energy: 5.258 local terms energy: -222.390383 where: bonds (distance) C4'-P energy: -71.238 bonds (distance) P-C4' energy: -68.135 flat angles C4'-P-C4' energy: -61.231 flat angles P-C4'-P energy: -28.746 tors. eta vs tors. theta energy: 6.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1376.966271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.966271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.966271 (E_RNA) where: Base-Base interactions energy: -926.559 where: short stacking energy: -442.759 Base-Backbone interact. energy: -1.509 local terms energy: -448.897612 where: bonds (distance) C4'-P energy: -74.338 bonds (distance) P-C4' energy: -84.133 flat angles C4'-P-C4' energy: -98.474 flat angles P-C4'-P energy: -60.018 tors. eta vs tors. theta energy: -131.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1303.093506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.093506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.093506 (E_RNA) where: Base-Base interactions energy: -884.032 where: short stacking energy: -363.021 Base-Backbone interact. energy: -0.949 local terms energy: -418.112635 where: bonds (distance) C4'-P energy: -73.111 bonds (distance) P-C4' energy: -83.346 flat angles C4'-P-C4' energy: -86.118 flat angles P-C4'-P energy: -69.744 tors. eta vs tors. theta energy: -105.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1210.291947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.291947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.291947 (E_RNA) where: Base-Base interactions energy: -804.921 where: short stacking energy: -373.121 Base-Backbone interact. energy: -2.604 local terms energy: -402.766101 where: bonds (distance) C4'-P energy: -79.233 bonds (distance) P-C4' energy: -75.907 flat angles C4'-P-C4' energy: -81.394 flat angles P-C4'-P energy: -54.983 tors. eta vs tors. theta energy: -111.249 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: 195 Temperature: 1.050000 Total energy: -1190.914799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.914799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.914799 (E_RNA) where: Base-Base interactions energy: -792.384 where: short stacking energy: -346.641 Base-Backbone interact. energy: -3.516 local terms energy: -395.015030 where: bonds (distance) C4'-P energy: -76.164 bonds (distance) P-C4' energy: -71.291 flat angles C4'-P-C4' energy: -84.317 flat angles P-C4'-P energy: -58.600 tors. eta vs tors. theta energy: -104.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1024.321974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.321974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.321974 (E_RNA) where: Base-Base interactions energy: -665.624 where: short stacking energy: -319.468 Base-Backbone interact. energy: -0.689 local terms energy: -358.008740 where: bonds (distance) C4'-P energy: -69.851 bonds (distance) P-C4' energy: -80.714 flat angles C4'-P-C4' energy: -81.065 flat angles P-C4'-P energy: -46.958 tors. eta vs tors. theta energy: -79.421 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: 4 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -919.121022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.121022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.121022 (E_RNA) where: Base-Base interactions energy: -582.484 where: short stacking energy: -277.342 Base-Backbone interact. energy: -0.744 local terms energy: -335.893481 where: bonds (distance) C4'-P energy: -72.130 bonds (distance) P-C4' energy: -73.328 flat angles C4'-P-C4' energy: -76.410 flat angles P-C4'-P energy: -50.657 tors. eta vs tors. theta energy: -63.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -728.869034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.869034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.869034 (E_RNA) where: Base-Base interactions energy: -436.764 where: short stacking energy: -225.002 Base-Backbone interact. energy: 1.623 local terms energy: -293.728442 where: bonds (distance) C4'-P energy: -68.112 bonds (distance) P-C4' energy: -67.852 flat angles C4'-P-C4' energy: -66.966 flat angles P-C4'-P energy: -49.125 tors. eta vs tors. theta energy: -41.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -572.098936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.098936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.098936 (E_RNA) where: Base-Base interactions energy: -304.595 where: short stacking energy: -186.553 Base-Backbone interact. energy: 8.849 local terms energy: -276.353340 where: bonds (distance) C4'-P energy: -65.016 bonds (distance) P-C4' energy: -72.450 flat angles C4'-P-C4' energy: -61.686 flat angles P-C4'-P energy: -49.446 tors. eta vs tors. theta energy: -27.754 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: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -497.927010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.927010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.927010 (E_RNA) where: Base-Base interactions energy: -243.236 where: short stacking energy: -138.316 Base-Backbone interact. energy: -2.746 local terms energy: -251.945604 where: bonds (distance) C4'-P energy: -66.226 bonds (distance) P-C4' energy: -70.463 flat angles C4'-P-C4' energy: -66.729 flat angles P-C4'-P energy: -33.726 tors. eta vs tors. theta energy: -14.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -332.447163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.447163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.447163 (E_RNA) where: Base-Base interactions energy: -105.987 where: short stacking energy: -96.824 Base-Backbone interact. energy: 2.075 local terms energy: -228.535411 where: bonds (distance) C4'-P energy: -73.834 bonds (distance) P-C4' energy: -70.147 flat angles C4'-P-C4' energy: -52.572 flat angles P-C4'-P energy: -31.091 tors. eta vs tors. theta energy: -0.891 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: 10 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1373.904023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.904023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.904023 (E_RNA) where: Base-Base interactions energy: -955.315 where: short stacking energy: -421.874 Base-Backbone interact. energy: -0.308 local terms energy: -418.281569 where: bonds (distance) C4'-P energy: -57.547 bonds (distance) P-C4' energy: -83.758 flat angles C4'-P-C4' energy: -84.447 flat angles P-C4'-P energy: -55.592 tors. eta vs tors. theta energy: -136.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1281.063340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.063340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.063340 (E_RNA) where: Base-Base interactions energy: -882.921 where: short stacking energy: -350.983 Base-Backbone interact. energy: -1.529 local terms energy: -396.613552 where: bonds (distance) C4'-P energy: -74.903 bonds (distance) P-C4' energy: -71.592 flat angles C4'-P-C4' energy: -97.776 flat angles P-C4'-P energy: -53.720 tors. eta vs tors. theta energy: -98.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1183.605927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.605927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.605927 (E_RNA) where: Base-Base interactions energy: -791.527 where: short stacking energy: -366.666 Base-Backbone interact. energy: -1.711 local terms energy: -390.368237 where: bonds (distance) C4'-P energy: -74.020 bonds (distance) P-C4' energy: -70.150 flat angles C4'-P-C4' energy: -83.781 flat angles P-C4'-P energy: -63.063 tors. eta vs tors. theta energy: -99.355 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: 9 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1164.205951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.205951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.205951 (E_RNA) where: Base-Base interactions energy: -779.536 where: short stacking energy: -339.116 Base-Backbone interact. energy: -2.280 local terms energy: -382.389383 where: bonds (distance) C4'-P energy: -72.676 bonds (distance) P-C4' energy: -72.815 flat angles C4'-P-C4' energy: -82.933 flat angles P-C4'-P energy: -54.956 tors. eta vs tors. theta energy: -99.009 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: 196 Temperature: 1.100000 Total energy: -1009.202589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.202589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.202589 (E_RNA) where: Base-Base interactions energy: -654.931 where: short stacking energy: -309.883 Base-Backbone interact. energy: -1.081 local terms energy: -353.190458 where: bonds (distance) C4'-P energy: -70.994 bonds (distance) P-C4' energy: -65.038 flat angles C4'-P-C4' energy: -85.862 flat angles P-C4'-P energy: -42.868 tors. eta vs tors. theta energy: -88.428 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: 196 Temperature: 1.150000 Total energy: -912.148348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.148348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.148348 (E_RNA) where: Base-Base interactions energy: -607.803 where: short stacking energy: -245.921 Base-Backbone interact. energy: -1.791 local terms energy: -302.554265 where: bonds (distance) C4'-P energy: -69.702 bonds (distance) P-C4' energy: -73.275 flat angles C4'-P-C4' energy: -66.308 flat angles P-C4'-P energy: -47.056 tors. eta vs tors. theta energy: -46.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -740.440494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.440494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.440494 (E_RNA) where: Base-Base interactions energy: -454.497 where: short stacking energy: -225.026 Base-Backbone interact. energy: -1.346 local terms energy: -284.597212 where: bonds (distance) C4'-P energy: -67.913 bonds (distance) P-C4' energy: -57.215 flat angles C4'-P-C4' energy: -67.096 flat angles P-C4'-P energy: -43.760 tors. eta vs tors. theta energy: -48.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -564.426972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.426972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.426972 (E_RNA) where: Base-Base interactions energy: -279.583 where: short stacking energy: -186.507 Base-Backbone interact. energy: 0.751 local terms energy: -285.594806 where: bonds (distance) C4'-P energy: -67.732 bonds (distance) P-C4' energy: -79.108 flat angles C4'-P-C4' energy: -69.546 flat angles P-C4'-P energy: -34.140 tors. eta vs tors. theta energy: -35.069 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: 5 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -515.176720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.176720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.176720 (E_RNA) where: Base-Base interactions energy: -276.357 where: short stacking energy: -153.674 Base-Backbone interact. energy: 4.065 local terms energy: -242.885149 where: bonds (distance) C4'-P energy: -53.990 bonds (distance) P-C4' energy: -76.977 flat angles C4'-P-C4' energy: -57.839 flat angles P-C4'-P energy: -38.835 tors. eta vs tors. theta energy: -15.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -344.194590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.194590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.194590 (E_RNA) where: Base-Base interactions energy: -97.080 where: short stacking energy: -87.682 Base-Backbone interact. energy: 1.166 local terms energy: -248.281356 where: bonds (distance) C4'-P energy: -68.379 bonds (distance) P-C4' energy: -80.211 flat angles C4'-P-C4' energy: -64.959 flat angles P-C4'-P energy: -36.483 tors. eta vs tors. theta energy: 1.752 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: 10 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1384.440524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.440524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.440524 (E_RNA) where: Base-Base interactions energy: -945.837 where: short stacking energy: -419.084 Base-Backbone interact. energy: -0.218 local terms energy: -438.385247 where: bonds (distance) C4'-P energy: -74.396 bonds (distance) P-C4' energy: -83.393 flat angles C4'-P-C4' energy: -93.664 flat angles P-C4'-P energy: -59.824 tors. eta vs tors. theta energy: -127.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1276.888406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.888406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.888406 (E_RNA) where: Base-Base interactions energy: -866.930 where: short stacking energy: -373.114 Base-Backbone interact. energy: 1.681 local terms energy: -411.639898 where: bonds (distance) C4'-P energy: -72.643 bonds (distance) P-C4' energy: -79.926 flat angles C4'-P-C4' energy: -80.934 flat angles P-C4'-P energy: -63.628 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: 3, replica: 2 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1186.474830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.474830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.474830 (E_RNA) where: Base-Base interactions energy: -789.185 where: short stacking energy: -375.289 Base-Backbone interact. energy: -0.073 local terms energy: -397.216962 where: bonds (distance) C4'-P energy: -71.170 bonds (distance) P-C4' energy: -76.617 flat angles C4'-P-C4' energy: -83.581 flat angles P-C4'-P energy: -60.812 tors. eta vs tors. theta energy: -105.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1137.480319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.480319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.480319 (E_RNA) where: Base-Base interactions energy: -757.405 where: short stacking energy: -357.107 Base-Backbone interact. energy: -1.073 local terms energy: -379.002121 where: bonds (distance) C4'-P energy: -59.396 bonds (distance) P-C4' energy: -85.984 flat angles C4'-P-C4' energy: -83.724 flat angles P-C4'-P energy: -57.967 tors. eta vs tors. theta energy: -91.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -985.549876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.549876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.549876 (E_RNA) where: Base-Base interactions energy: -639.034 where: short stacking energy: -300.719 Base-Backbone interact. energy: 2.336 local terms energy: -348.851426 where: bonds (distance) C4'-P energy: -60.497 bonds (distance) P-C4' energy: -65.387 flat angles C4'-P-C4' energy: -86.121 flat angles P-C4'-P energy: -61.870 tors. eta vs tors. theta energy: -74.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -928.733433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.733433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.733433 (E_RNA) where: Base-Base interactions energy: -601.651 where: short stacking energy: -287.723 Base-Backbone interact. energy: -1.643 local terms energy: -325.438658 where: bonds (distance) C4'-P energy: -79.416 bonds (distance) P-C4' energy: -76.249 flat angles C4'-P-C4' energy: -70.424 flat angles P-C4'-P energy: -35.045 tors. eta vs tors. theta energy: -64.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -707.053004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.053004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.053004 (E_RNA) where: Base-Base interactions energy: -434.647 where: short stacking energy: -218.904 Base-Backbone interact. energy: -0.352 local terms energy: -272.053620 where: bonds (distance) C4'-P energy: -65.872 bonds (distance) P-C4' energy: -56.972 flat angles C4'-P-C4' energy: -66.809 flat angles P-C4'-P energy: -51.119 tors. eta vs tors. theta energy: -31.282 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: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -536.275281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.275281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.275281 (E_RNA) where: Base-Base interactions energy: -264.077 where: short stacking energy: -154.187 Base-Backbone interact. energy: 0.446 local terms energy: -272.644048 where: bonds (distance) C4'-P energy: -64.520 bonds (distance) P-C4' energy: -75.129 flat angles C4'-P-C4' energy: -67.004 flat angles P-C4'-P energy: -44.421 tors. eta vs tors. theta energy: -21.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -481.652187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.652187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.652187 (E_RNA) where: Base-Base interactions energy: -230.989 where: short stacking energy: -125.622 Base-Backbone interact. energy: 2.286 local terms energy: -252.949449 where: bonds (distance) C4'-P energy: -57.851 bonds (distance) P-C4' energy: -78.223 flat angles C4'-P-C4' energy: -60.342 flat angles P-C4'-P energy: -44.288 tors. eta vs tors. theta energy: -12.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -320.287584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.287584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.287584 (E_RNA) where: Base-Base interactions energy: -127.199 where: short stacking energy: -92.805 Base-Backbone interact. energy: 0.205 local terms energy: -193.293163 where: bonds (distance) C4'-P energy: -57.802 bonds (distance) P-C4' energy: -61.795 flat angles C4'-P-C4' energy: -68.347 flat angles P-C4'-P energy: -21.529 tors. eta vs tors. theta energy: 16.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1379.545597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.545597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.545597 (E_RNA) where: Base-Base interactions energy: -938.789 where: short stacking energy: -420.910 Base-Backbone interact. energy: -1.393 local terms energy: -439.364342 where: bonds (distance) C4'-P energy: -84.675 bonds (distance) P-C4' energy: -84.528 flat angles C4'-P-C4' energy: -88.133 flat angles P-C4'-P energy: -55.668 tors. eta vs tors. theta energy: -126.361 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: 198 Temperature: 0.950000 Total energy: -1265.149826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.149826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.149826 (E_RNA) where: Base-Base interactions energy: -864.091 where: short stacking energy: -367.923 Base-Backbone interact. energy: 0.213 local terms energy: -401.271397 where: bonds (distance) C4'-P energy: -76.751 bonds (distance) P-C4' energy: -76.211 flat angles C4'-P-C4' energy: -88.444 flat angles P-C4'-P energy: -54.109 tors. eta vs tors. theta energy: -105.757 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: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1182.683364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.683364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.683364 (E_RNA) where: Base-Base interactions energy: -802.904 where: short stacking energy: -380.485 Base-Backbone interact. energy: -1.288 local terms energy: -378.490700 where: bonds (distance) C4'-P energy: -63.910 bonds (distance) P-C4' energy: -71.812 flat angles C4'-P-C4' energy: -87.551 flat angles P-C4'-P energy: -55.476 tors. eta vs tors. theta energy: -99.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1142.965876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.965876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.965876 (E_RNA) where: Base-Base interactions energy: -742.811 where: short stacking energy: -345.720 Base-Backbone interact. energy: -1.203 local terms energy: -398.952412 where: bonds (distance) C4'-P energy: -74.083 bonds (distance) P-C4' energy: -83.111 flat angles C4'-P-C4' energy: -89.542 flat angles P-C4'-P energy: -56.062 tors. eta vs tors. theta energy: -96.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -993.361707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.361707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.361707 (E_RNA) where: Base-Base interactions energy: -660.473 where: short stacking energy: -299.956 Base-Backbone interact. energy: -1.207 local terms energy: -331.681947 where: bonds (distance) C4'-P energy: -68.405 bonds (distance) P-C4' energy: -71.284 flat angles C4'-P-C4' energy: -82.076 flat angles P-C4'-P energy: -39.432 tors. eta vs tors. theta energy: -70.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -921.202545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.202545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.202545 (E_RNA) where: Base-Base interactions energy: -591.768 where: short stacking energy: -272.726 Base-Backbone interact. energy: 2.730 local terms energy: -332.165233 where: bonds (distance) C4'-P energy: -60.262 bonds (distance) P-C4' energy: -62.363 flat angles C4'-P-C4' energy: -90.508 flat angles P-C4'-P energy: -53.297 tors. eta vs tors. theta energy: -65.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -691.388638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.388638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.388638 (E_RNA) where: Base-Base interactions energy: -411.531 where: short stacking energy: -187.662 Base-Backbone interact. energy: -2.482 local terms energy: -277.376096 where: bonds (distance) C4'-P energy: -72.302 bonds (distance) P-C4' energy: -75.950 flat angles C4'-P-C4' energy: -61.433 flat angles P-C4'-P energy: -37.296 tors. eta vs tors. theta energy: -30.394 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: 6 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -554.755519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.755519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.755519 (E_RNA) where: Base-Base interactions energy: -297.979 where: short stacking energy: -181.573 Base-Backbone interact. energy: -0.311 local terms energy: -256.465763 where: bonds (distance) C4'-P energy: -69.393 bonds (distance) P-C4' energy: -67.395 flat angles C4'-P-C4' energy: -66.074 flat angles P-C4'-P energy: -30.073 tors. eta vs tors. theta energy: -23.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -490.088974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.088974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.088974 (E_RNA) where: Base-Base interactions energy: -261.776 where: short stacking energy: -179.201 Base-Backbone interact. energy: 1.484 local terms energy: -229.796798 where: bonds (distance) C4'-P energy: -49.853 bonds (distance) P-C4' energy: -62.309 flat angles C4'-P-C4' energy: -66.030 flat angles P-C4'-P energy: -38.976 tors. eta vs tors. theta energy: -12.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -314.608847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.608847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.608847 (E_RNA) where: Base-Base interactions energy: -100.965 where: short stacking energy: -91.554 Base-Backbone interact. energy: 0.965 local terms energy: -214.608651 where: bonds (distance) C4'-P energy: -60.105 bonds (distance) P-C4' energy: -74.495 flat angles C4'-P-C4' energy: -52.011 flat angles P-C4'-P energy: -33.149 tors. eta vs tors. theta energy: 5.151 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: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1367.217547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.217547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.217547 (E_RNA) where: Base-Base interactions energy: -921.389 where: short stacking energy: -418.388 Base-Backbone interact. energy: -1.381 local terms energy: -444.447861 where: bonds (distance) C4'-P energy: -86.215 bonds (distance) P-C4' energy: -70.405 flat angles C4'-P-C4' energy: -98.396 flat angles P-C4'-P energy: -53.787 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: 2, replica: 7 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1289.520970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.520970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.520970 (E_RNA) where: Base-Base interactions energy: -870.919 where: short stacking energy: -368.519 Base-Backbone interact. energy: -1.530 local terms energy: -417.071594 where: bonds (distance) C4'-P energy: -71.126 bonds (distance) P-C4' energy: -82.849 flat angles C4'-P-C4' energy: -89.855 flat angles P-C4'-P energy: -58.049 tors. eta vs tors. theta energy: -115.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1206.223931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.223931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.223931 (E_RNA) where: Base-Base interactions energy: -797.155 where: short stacking energy: -365.754 Base-Backbone interact. energy: -1.236 local terms energy: -407.833003 where: bonds (distance) C4'-P energy: -69.759 bonds (distance) P-C4' energy: -88.464 flat angles C4'-P-C4' energy: -85.968 flat angles P-C4'-P energy: -49.147 tors. eta vs tors. theta energy: -114.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1127.242825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.242825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.242825 (E_RNA) where: Base-Base interactions energy: -743.859 where: short stacking energy: -351.606 Base-Backbone interact. energy: 1.940 local terms energy: -385.323356 where: bonds (distance) C4'-P energy: -73.834 bonds (distance) P-C4' energy: -73.173 flat angles C4'-P-C4' energy: -89.599 flat angles P-C4'-P energy: -58.449 tors. eta vs tors. theta energy: -90.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -984.595387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.595387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.595387 (E_RNA) where: Base-Base interactions energy: -660.269 where: short stacking energy: -291.431 Base-Backbone interact. energy: -1.270 local terms energy: -323.055927 where: bonds (distance) C4'-P energy: -67.113 bonds (distance) P-C4' energy: -59.877 flat angles C4'-P-C4' energy: -81.661 flat angles P-C4'-P energy: -48.045 tors. eta vs tors. theta energy: -66.361 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: 199 Temperature: 1.150000 Total energy: -913.673174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.673174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.673174 (E_RNA) where: Base-Base interactions energy: -598.027 where: short stacking energy: -263.397 Base-Backbone interact. energy: 1.780 local terms energy: -317.426275 where: bonds (distance) C4'-P energy: -67.232 bonds (distance) P-C4' energy: -62.467 flat angles C4'-P-C4' energy: -76.049 flat angles P-C4'-P energy: -52.893 tors. eta vs tors. theta energy: -58.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -724.743455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.743455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.743455 (E_RNA) where: Base-Base interactions energy: -431.381 where: short stacking energy: -233.086 Base-Backbone interact. energy: -2.354 local terms energy: -291.008634 where: bonds (distance) C4'-P energy: -60.150 bonds (distance) P-C4' energy: -63.419 flat angles C4'-P-C4' energy: -78.845 flat angles P-C4'-P energy: -40.701 tors. eta vs tors. theta energy: -47.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -545.186541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.186541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.186541 (E_RNA) where: Base-Base interactions energy: -303.629 where: short stacking energy: -184.846 Base-Backbone interact. energy: 0.903 local terms energy: -242.459817 where: bonds (distance) C4'-P energy: -70.838 bonds (distance) P-C4' energy: -63.569 flat angles C4'-P-C4' energy: -66.021 flat angles P-C4'-P energy: -27.871 tors. eta vs tors. theta energy: -14.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -478.118982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.118982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.118982 (E_RNA) where: Base-Base interactions energy: -235.618 where: short stacking energy: -133.857 Base-Backbone interact. energy: 2.091 local terms energy: -244.591990 where: bonds (distance) C4'-P energy: -59.781 bonds (distance) P-C4' energy: -62.363 flat angles C4'-P-C4' energy: -70.719 flat angles P-C4'-P energy: -34.704 tors. eta vs tors. theta energy: -17.024 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: 199 Temperature: 1.350000 Total energy: -326.859913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.859913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.859913 (E_RNA) where: Base-Base interactions energy: -125.543 where: short stacking energy: -97.147 Base-Backbone interact. energy: -1.442 local terms energy: -199.875757 where: bonds (distance) C4'-P energy: -60.113 bonds (distance) P-C4' energy: -70.691 flat angles C4'-P-C4' energy: -55.918 flat angles P-C4'-P energy: -40.319 tors. eta vs tors. theta energy: 27.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1375.145843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.145843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.145843 (E_RNA) where: Base-Base interactions energy: -906.841 where: short stacking energy: -427.664 Base-Backbone interact. energy: -1.965 local terms energy: -466.339845 where: bonds (distance) C4'-P energy: -89.308 bonds (distance) P-C4' energy: -78.331 flat angles C4'-P-C4' energy: -101.560 flat angles P-C4'-P energy: -67.531 tors. eta vs tors. theta energy: -129.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1315.923017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.923017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.923017 (E_RNA) where: Base-Base interactions energy: -884.865 where: short stacking energy: -397.598 Base-Backbone interact. energy: -0.837 local terms energy: -430.221430 where: bonds (distance) C4'-P energy: -74.897 bonds (distance) P-C4' energy: -79.034 flat angles C4'-P-C4' energy: -91.402 flat angles P-C4'-P energy: -61.244 tors. eta vs tors. theta energy: -123.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1190.272685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.272685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.272685 (E_RNA) where: Base-Base interactions energy: -795.297 where: short stacking energy: -370.831 Base-Backbone interact. energy: -0.887 local terms energy: -394.088850 where: bonds (distance) C4'-P energy: -63.959 bonds (distance) P-C4' energy: -74.027 flat angles C4'-P-C4' energy: -84.915 flat angles P-C4'-P energy: -55.257 tors. eta vs tors. theta energy: -115.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1177.447603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.447603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.447603 (E_RNA) where: Base-Base interactions energy: -791.465 where: short stacking energy: -342.956 Base-Backbone interact. energy: -3.382 local terms energy: -382.600716 where: bonds (distance) C4'-P energy: -80.922 bonds (distance) P-C4' energy: -75.986 flat angles C4'-P-C4' energy: -84.586 flat angles P-C4'-P energy: -58.461 tors. eta vs tors. theta energy: -82.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1017.196952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.196952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.196952 (E_RNA) where: Base-Base interactions energy: -666.973 where: short stacking energy: -309.382 Base-Backbone interact. energy: -0.764 local terms energy: -349.459949 where: bonds (distance) C4'-P energy: -77.418 bonds (distance) P-C4' energy: -74.227 flat angles C4'-P-C4' energy: -79.028 flat angles P-C4'-P energy: -41.563 tors. eta vs tors. theta energy: -77.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -952.901114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.901114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.901114 (E_RNA) where: Base-Base interactions energy: -614.137 where: short stacking energy: -287.327 Base-Backbone interact. energy: -1.058 local terms energy: -337.705633 where: bonds (distance) C4'-P energy: -72.774 bonds (distance) P-C4' energy: -61.899 flat angles C4'-P-C4' energy: -74.277 flat angles P-C4'-P energy: -52.031 tors. eta vs tors. theta energy: -76.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -812.879620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.879620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.879620 (E_RNA) where: Base-Base interactions energy: -502.258 where: short stacking energy: -233.907 Base-Backbone interact. energy: -0.660 local terms energy: -309.962053 where: bonds (distance) C4'-P energy: -76.035 bonds (distance) P-C4' energy: -84.647 flat angles C4'-P-C4' energy: -60.899 flat angles P-C4'-P energy: -42.811 tors. eta vs tors. theta energy: -45.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -567.383419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.383419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.383419 (E_RNA) where: Base-Base interactions energy: -313.230 where: short stacking energy: -163.245 Base-Backbone interact. energy: 0.530 local terms energy: -254.683051 where: bonds (distance) C4'-P energy: -71.052 bonds (distance) P-C4' energy: -70.681 flat angles C4'-P-C4' energy: -48.962 flat angles P-C4'-P energy: -44.890 tors. eta vs tors. theta energy: -19.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -494.578521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.578521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.578521 (E_RNA) where: Base-Base interactions energy: -265.465 where: short stacking energy: -144.052 Base-Backbone interact. energy: -0.286 local terms energy: -228.827295 where: bonds (distance) C4'-P energy: -50.755 bonds (distance) P-C4' energy: -72.222 flat angles C4'-P-C4' energy: -54.698 flat angles P-C4'-P energy: -48.158 tors. eta vs tors. theta energy: -2.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -324.773925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.773925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.773925 (E_RNA) where: Base-Base interactions energy: -113.622 where: short stacking energy: -106.976 Base-Backbone interact. energy: 2.961 local terms energy: -214.112253 where: bonds (distance) C4'-P energy: -66.924 bonds (distance) P-C4' energy: -62.856 flat angles C4'-P-C4' energy: -68.724 flat angles P-C4'-P energy: -20.236 tors. eta vs tors. theta energy: 4.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1370.160225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.160225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.160225 (E_RNA) where: Base-Base interactions energy: -921.688 where: short stacking energy: -432.821 Base-Backbone interact. energy: -0.520 local terms energy: -447.952119 where: bonds (distance) C4'-P energy: -72.396 bonds (distance) P-C4' energy: -80.784 flat angles C4'-P-C4' energy: -101.038 flat angles P-C4'-P energy: -63.918 tors. eta vs tors. theta energy: -129.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1326.145654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.145654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.145654 (E_RNA) where: Base-Base interactions energy: -894.050 where: short stacking energy: -393.730 Base-Backbone interact. energy: 1.497 local terms energy: -433.592254 where: bonds (distance) C4'-P energy: -77.090 bonds (distance) P-C4' energy: -80.061 flat angles C4'-P-C4' energy: -95.781 flat angles P-C4'-P energy: -58.845 tors. eta vs tors. theta energy: -121.816 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: 9 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1205.239337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.239337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.239337 (E_RNA) where: Base-Base interactions energy: -784.974 where: short stacking energy: -367.746 Base-Backbone interact. energy: -0.364 local terms energy: -419.900927 where: bonds (distance) C4'-P energy: -73.955 bonds (distance) P-C4' energy: -77.347 flat angles C4'-P-C4' energy: -88.175 flat angles P-C4'-P energy: -67.284 tors. eta vs tors. theta energy: -113.139 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: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1142.420300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.420300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.420300 (E_RNA) where: Base-Base interactions energy: -747.031 where: short stacking energy: -358.853 Base-Backbone interact. energy: -0.852 local terms energy: -394.536786 where: bonds (distance) C4'-P energy: -81.567 bonds (distance) P-C4' energy: -76.704 flat angles C4'-P-C4' energy: -91.534 flat angles P-C4'-P energy: -51.307 tors. eta vs tors. theta energy: -93.424 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: 1 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -993.982326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.982326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.982326 (E_RNA) where: Base-Base interactions energy: -627.112 where: short stacking energy: -268.781 Base-Backbone interact. energy: -0.800 local terms energy: -366.069983 where: bonds (distance) C4'-P energy: -74.091 bonds (distance) P-C4' energy: -87.409 flat angles C4'-P-C4' energy: -79.708 flat angles P-C4'-P energy: -52.649 tors. eta vs tors. theta energy: -72.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -840.036544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.036544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.036544 (E_RNA) where: Base-Base interactions energy: -524.923 where: short stacking energy: -249.259 Base-Backbone interact. energy: 0.539 local terms energy: -315.653013 where: bonds (distance) C4'-P energy: -78.201 bonds (distance) P-C4' energy: -67.592 flat angles C4'-P-C4' energy: -72.572 flat angles P-C4'-P energy: -50.427 tors. eta vs tors. theta energy: -46.860 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: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -914.641276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.641276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.641276 (E_RNA) where: Base-Base interactions energy: -606.656 where: short stacking energy: -278.301 Base-Backbone interact. energy: 0.292 local terms energy: -308.276645 where: bonds (distance) C4'-P energy: -68.011 bonds (distance) P-C4' energy: -77.474 flat angles C4'-P-C4' energy: -62.715 flat angles P-C4'-P energy: -34.070 tors. eta vs tors. theta energy: -66.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -544.876505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.876505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.876505 (E_RNA) where: Base-Base interactions energy: -298.970 where: short stacking energy: -169.664 Base-Backbone interact. energy: 0.622 local terms energy: -246.528413 where: bonds (distance) C4'-P energy: -76.831 bonds (distance) P-C4' energy: -63.090 flat angles C4'-P-C4' energy: -56.449 flat angles P-C4'-P energy: -35.358 tors. eta vs tors. theta energy: -14.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -489.268292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.268292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.268292 (E_RNA) where: Base-Base interactions energy: -257.739 where: short stacking energy: -148.681 Base-Backbone interact. energy: 6.609 local terms energy: -238.138779 where: bonds (distance) C4'-P energy: -65.244 bonds (distance) P-C4' energy: -56.875 flat angles C4'-P-C4' energy: -57.662 flat angles P-C4'-P energy: -46.711 tors. eta vs tors. theta energy: -11.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -315.284966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.284966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.284966 (E_RNA) where: Base-Base interactions energy: -105.787 where: short stacking energy: -92.750 Base-Backbone interact. energy: 3.448 local terms energy: -212.945653 where: bonds (distance) C4'-P energy: -55.519 bonds (distance) P-C4' energy: -89.116 flat angles C4'-P-C4' energy: -55.707 flat angles P-C4'-P energy: -25.135 tors. eta vs tors. theta energy: 12.531 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: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1383.364499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.364499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.364499 (E_RNA) where: Base-Base interactions energy: -949.183 where: short stacking energy: -419.471 Base-Backbone interact. energy: -1.122 local terms energy: -433.060245 where: bonds (distance) C4'-P energy: -75.077 bonds (distance) P-C4' energy: -76.038 flat angles C4'-P-C4' energy: -94.376 flat angles P-C4'-P energy: -61.592 tors. eta vs tors. theta energy: -125.978 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: 7 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1332.101653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.101653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.101653 (E_RNA) where: Base-Base interactions energy: -911.541 where: short stacking energy: -402.429 Base-Backbone interact. energy: -1.952 local terms energy: -418.608769 where: bonds (distance) C4'-P energy: -74.304 bonds (distance) P-C4' energy: -81.507 flat angles C4'-P-C4' energy: -89.970 flat angles P-C4'-P energy: -50.932 tors. eta vs tors. theta energy: -121.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1167.582722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.582722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.582722 (E_RNA) where: Base-Base interactions energy: -758.414 where: short stacking energy: -338.053 Base-Backbone interact. energy: -2.965 local terms energy: -406.203609 where: bonds (distance) C4'-P energy: -81.237 bonds (distance) P-C4' energy: -74.622 flat angles C4'-P-C4' energy: -85.180 flat angles P-C4'-P energy: -60.018 tors. eta vs tors. theta energy: -105.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1174.206293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.206293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.206293 (E_RNA) where: Base-Base interactions energy: -788.835 where: short stacking energy: -377.763 Base-Backbone interact. energy: 1.668 local terms energy: -387.038789 where: bonds (distance) C4'-P energy: -75.085 bonds (distance) P-C4' energy: -71.840 flat angles C4'-P-C4' energy: -80.040 flat angles P-C4'-P energy: -47.302 tors. eta vs tors. theta energy: -112.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1012.246571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.246571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.246571 (E_RNA) where: Base-Base interactions energy: -663.878 where: short stacking energy: -313.940 Base-Backbone interact. energy: -0.684 local terms energy: -347.684495 where: bonds (distance) C4'-P energy: -73.172 bonds (distance) P-C4' energy: -75.851 flat angles C4'-P-C4' energy: -70.243 flat angles P-C4'-P energy: -49.905 tors. eta vs tors. theta energy: -78.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -888.473870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.473870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.473870 (E_RNA) where: Base-Base interactions energy: -555.767 where: short stacking energy: -275.892 Base-Backbone interact. energy: 4.823 local terms energy: -337.529986 where: bonds (distance) C4'-P energy: -64.719 bonds (distance) P-C4' energy: -83.050 flat angles C4'-P-C4' energy: -81.460 flat angles P-C4'-P energy: -39.729 tors. eta vs tors. theta energy: -68.572 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: 202 Temperature: 1.200000 Total energy: -880.108915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.108915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.108915 (E_RNA) where: Base-Base interactions energy: -574.897 where: short stacking energy: -261.240 Base-Backbone interact. energy: -1.140 local terms energy: -304.072057 where: bonds (distance) C4'-P energy: -66.145 bonds (distance) P-C4' energy: -73.293 flat angles C4'-P-C4' energy: -54.481 flat angles P-C4'-P energy: -47.138 tors. eta vs tors. theta energy: -63.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -569.287071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.287071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.287071 (E_RNA) where: Base-Base interactions energy: -292.190 where: short stacking energy: -179.327 Base-Backbone interact. energy: 2.436 local terms energy: -279.532981 where: bonds (distance) C4'-P energy: -67.284 bonds (distance) P-C4' energy: -70.889 flat angles C4'-P-C4' energy: -65.535 flat angles P-C4'-P energy: -39.877 tors. eta vs tors. theta energy: -35.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -542.607251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.607251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.607251 (E_RNA) where: Base-Base interactions energy: -288.062 where: short stacking energy: -167.991 Base-Backbone interact. energy: -1.660 local terms energy: -252.885031 where: bonds (distance) C4'-P energy: -62.624 bonds (distance) P-C4' energy: -64.645 flat angles C4'-P-C4' energy: -62.206 flat angles P-C4'-P energy: -38.541 tors. eta vs tors. theta energy: -24.869 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: 202 Temperature: 1.350000 Total energy: -348.743916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.743916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.743916 (E_RNA) where: Base-Base interactions energy: -144.778 where: short stacking energy: -98.438 Base-Backbone interact. energy: 1.016 local terms energy: -204.982481 where: bonds (distance) C4'-P energy: -58.876 bonds (distance) P-C4' energy: -68.952 flat angles C4'-P-C4' energy: -60.253 flat angles P-C4'-P energy: -29.759 tors. eta vs tors. theta energy: 12.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1393.953974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.953974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.953974 (E_RNA) where: Base-Base interactions energy: -934.462 where: short stacking energy: -418.399 Base-Backbone interact. energy: 1.535 local terms energy: -461.026492 where: bonds (distance) C4'-P energy: -83.155 bonds (distance) P-C4' energy: -82.092 flat angles C4'-P-C4' energy: -97.148 flat angles P-C4'-P energy: -70.676 tors. eta vs tors. theta energy: -127.955 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: 7 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1307.558937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.558937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.558937 (E_RNA) where: Base-Base interactions energy: -900.137 where: short stacking energy: -382.735 Base-Backbone interact. energy: -0.991 local terms energy: -406.431601 where: bonds (distance) C4'-P energy: -80.370 bonds (distance) P-C4' energy: -74.430 flat angles C4'-P-C4' energy: -84.242 flat angles P-C4'-P energy: -54.373 tors. eta vs tors. theta energy: -113.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1149.192777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.192777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.192777 (E_RNA) where: Base-Base interactions energy: -754.444 where: short stacking energy: -349.285 Base-Backbone interact. energy: 1.976 local terms energy: -396.724904 where: bonds (distance) C4'-P energy: -77.372 bonds (distance) P-C4' energy: -82.861 flat angles C4'-P-C4' energy: -80.754 flat angles P-C4'-P energy: -58.655 tors. eta vs tors. theta energy: -97.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1151.460261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.460261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.460261 (E_RNA) where: Base-Base interactions energy: -753.895 where: short stacking energy: -362.028 Base-Backbone interact. energy: 2.013 local terms energy: -399.577775 where: bonds (distance) C4'-P energy: -74.224 bonds (distance) P-C4' energy: -85.610 flat angles C4'-P-C4' energy: -83.253 flat angles P-C4'-P energy: -46.831 tors. eta vs tors. theta energy: -109.659 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: 5, replica: 1 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -990.044390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.044390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.044390 (E_RNA) where: Base-Base interactions energy: -649.452 where: short stacking energy: -318.485 Base-Backbone interact. energy: -2.277 local terms energy: -338.315651 where: bonds (distance) C4'-P energy: -63.314 bonds (distance) P-C4' energy: -69.718 flat angles C4'-P-C4' energy: -81.047 flat angles P-C4'-P energy: -45.354 tors. eta vs tors. theta energy: -78.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -908.653815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.653815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.653815 (E_RNA) where: Base-Base interactions energy: -588.964 where: short stacking energy: -248.936 Base-Backbone interact. energy: -0.106 local terms energy: -319.583455 where: bonds (distance) C4'-P energy: -70.989 bonds (distance) P-C4' energy: -70.906 flat angles C4'-P-C4' energy: -69.911 flat angles P-C4'-P energy: -41.894 tors. eta vs tors. theta energy: -65.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -827.568511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.568511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.568511 (E_RNA) where: Base-Base interactions energy: -524.802 where: short stacking energy: -252.221 Base-Backbone interact. energy: 0.283 local terms energy: -303.049670 where: bonds (distance) C4'-P energy: -65.990 bonds (distance) P-C4' energy: -63.423 flat angles C4'-P-C4' energy: -71.536 flat angles P-C4'-P energy: -40.875 tors. eta vs tors. theta energy: -61.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -552.469409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.469409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.469409 (E_RNA) where: Base-Base interactions energy: -306.962 where: short stacking energy: -189.960 Base-Backbone interact. energy: -1.108 local terms energy: -244.399595 where: bonds (distance) C4'-P energy: -57.388 bonds (distance) P-C4' energy: -59.235 flat angles C4'-P-C4' energy: -66.943 flat angles P-C4'-P energy: -38.971 tors. eta vs tors. theta energy: -21.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -529.431918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.431918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.431918 (E_RNA) where: Base-Base interactions energy: -290.146 where: short stacking energy: -143.484 Base-Backbone interact. energy: 0.137 local terms energy: -239.423382 where: bonds (distance) C4'-P energy: -62.884 bonds (distance) P-C4' energy: -72.766 flat angles C4'-P-C4' energy: -63.927 flat angles P-C4'-P energy: -27.338 tors. eta vs tors. theta energy: -12.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -404.212702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.212702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.212702 (E_RNA) where: Base-Base interactions energy: -179.645 where: short stacking energy: -104.505 Base-Backbone interact. energy: -0.833 local terms energy: -223.734752 where: bonds (distance) C4'-P energy: -63.043 bonds (distance) P-C4' energy: -75.878 flat angles C4'-P-C4' energy: -51.548 flat angles P-C4'-P energy: -46.957 tors. eta vs tors. theta energy: 13.692 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: 1, replica: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1374.554076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.554076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.554076 (E_RNA) where: Base-Base interactions energy: -922.647 where: short stacking energy: -425.787 Base-Backbone interact. energy: -1.110 local terms energy: -450.796848 where: bonds (distance) C4'-P energy: -86.031 bonds (distance) P-C4' energy: -82.244 flat angles C4'-P-C4' energy: -90.023 flat angles P-C4'-P energy: -66.534 tors. eta vs tors. theta energy: -125.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1347.557367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.557367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.557367 (E_RNA) where: Base-Base interactions energy: -908.345 where: short stacking energy: -387.191 Base-Backbone interact. energy: -2.773 local terms energy: -436.440119 where: bonds (distance) C4'-P energy: -81.439 bonds (distance) P-C4' energy: -71.862 flat angles C4'-P-C4' energy: -95.408 flat angles P-C4'-P energy: -66.877 tors. eta vs tors. theta energy: -120.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1169.936960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.936960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.936960 (E_RNA) where: Base-Base interactions energy: -784.107 where: short stacking energy: -346.207 Base-Backbone interact. energy: -2.208 local terms energy: -383.622505 where: bonds (distance) C4'-P energy: -72.604 bonds (distance) P-C4' energy: -82.118 flat angles C4'-P-C4' energy: -89.216 flat angles P-C4'-P energy: -50.163 tors. eta vs tors. theta energy: -89.522 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: 9 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1126.629009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.629009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.629009 (E_RNA) where: Base-Base interactions energy: -751.822 where: short stacking energy: -348.134 Base-Backbone interact. energy: -2.129 local terms energy: -372.678673 where: bonds (distance) C4'-P energy: -75.267 bonds (distance) P-C4' energy: -79.081 flat angles C4'-P-C4' energy: -80.208 flat angles P-C4'-P energy: -43.347 tors. eta vs tors. theta energy: -94.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -923.253093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.253093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.253093 (E_RNA) where: Base-Base interactions energy: -601.867 where: short stacking energy: -269.411 Base-Backbone interact. energy: 1.016 local terms energy: -322.402341 where: bonds (distance) C4'-P energy: -62.512 bonds (distance) P-C4' energy: -72.097 flat angles C4'-P-C4' energy: -74.470 flat angles P-C4'-P energy: -39.663 tors. eta vs tors. theta energy: -73.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -994.661258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.661258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.661258 (E_RNA) where: Base-Base interactions energy: -618.512 where: short stacking energy: -302.209 Base-Backbone interact. energy: -1.959 local terms energy: -374.191069 where: bonds (distance) C4'-P energy: -72.977 bonds (distance) P-C4' energy: -84.811 flat angles C4'-P-C4' energy: -79.992 flat angles P-C4'-P energy: -51.026 tors. eta vs tors. theta energy: -85.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -786.657430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.657430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.657430 (E_RNA) where: Base-Base interactions energy: -500.194 where: short stacking energy: -229.830 Base-Backbone interact. energy: 0.454 local terms energy: -286.916878 where: bonds (distance) C4'-P energy: -68.628 bonds (distance) P-C4' energy: -58.457 flat angles C4'-P-C4' energy: -69.917 flat angles P-C4'-P energy: -29.893 tors. eta vs tors. theta energy: -60.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -603.946134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.946134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.946134 (E_RNA) where: Base-Base interactions energy: -314.623 where: short stacking energy: -191.552 Base-Backbone interact. energy: -1.514 local terms energy: -287.809589 where: bonds (distance) C4'-P energy: -57.559 bonds (distance) P-C4' energy: -70.214 flat angles C4'-P-C4' energy: -66.580 flat angles P-C4'-P energy: -46.073 tors. eta vs tors. theta energy: -47.384 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: 5 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -548.447616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.447616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.447616 (E_RNA) where: Base-Base interactions energy: -293.959 where: short stacking energy: -162.380 Base-Backbone interact. energy: 1.734 local terms energy: -256.222464 where: bonds (distance) C4'-P energy: -65.421 bonds (distance) P-C4' energy: -67.189 flat angles C4'-P-C4' energy: -56.072 flat angles P-C4'-P energy: -43.827 tors. eta vs tors. theta energy: -23.715 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: 8 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -399.617211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.617211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.617211 (E_RNA) where: Base-Base interactions energy: -174.495 where: short stacking energy: -123.818 Base-Backbone interact. energy: -0.635 local terms energy: -224.486943 where: bonds (distance) C4'-P energy: -63.272 bonds (distance) P-C4' energy: -73.993 flat angles C4'-P-C4' energy: -58.933 flat angles P-C4'-P energy: -31.348 tors. eta vs tors. theta energy: 3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1375.098032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.098032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.098032 (E_RNA) where: Base-Base interactions energy: -925.744 where: short stacking energy: -433.148 Base-Backbone interact. energy: -0.927 local terms energy: -448.426841 where: bonds (distance) C4'-P energy: -76.359 bonds (distance) P-C4' energy: -83.486 flat angles C4'-P-C4' energy: -96.547 flat angles P-C4'-P energy: -58.573 tors. eta vs tors. theta energy: -133.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1332.322854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.322854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.322854 (E_RNA) where: Base-Base interactions energy: -908.411 where: short stacking energy: -397.851 Base-Backbone interact. energy: -2.159 local terms energy: -421.753401 where: bonds (distance) C4'-P energy: -79.285 bonds (distance) P-C4' energy: -61.716 flat angles C4'-P-C4' energy: -93.395 flat angles P-C4'-P energy: -63.923 tors. eta vs tors. theta energy: -123.433 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: 2 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1159.971920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.971920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.971920 (E_RNA) where: Base-Base interactions energy: -774.983 where: short stacking energy: -342.962 Base-Backbone interact. energy: -1.078 local terms energy: -383.911148 where: bonds (distance) C4'-P energy: -77.346 bonds (distance) P-C4' energy: -68.528 flat angles C4'-P-C4' energy: -84.393 flat angles P-C4'-P energy: -53.372 tors. eta vs tors. theta energy: -100.273 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: 9 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1158.996881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.996881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.996881 (E_RNA) where: Base-Base interactions energy: -754.148 where: short stacking energy: -369.562 Base-Backbone interact. energy: -0.173 local terms energy: -404.676499 where: bonds (distance) C4'-P energy: -71.292 bonds (distance) P-C4' energy: -81.213 flat angles C4'-P-C4' energy: -81.895 flat angles P-C4'-P energy: -51.096 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: 4 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -928.934347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.934347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.934347 (E_RNA) where: Base-Base interactions energy: -597.030 where: short stacking energy: -277.743 Base-Backbone interact. energy: -1.811 local terms energy: -330.093339 where: bonds (distance) C4'-P energy: -65.916 bonds (distance) P-C4' energy: -63.748 flat angles C4'-P-C4' energy: -72.436 flat angles P-C4'-P energy: -53.167 tors. eta vs tors. theta energy: -74.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -965.414686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.414686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.414686 (E_RNA) where: Base-Base interactions energy: -623.993 where: short stacking energy: -298.331 Base-Backbone interact. energy: -1.778 local terms energy: -339.643593 where: bonds (distance) C4'-P energy: -60.892 bonds (distance) P-C4' energy: -77.054 flat angles C4'-P-C4' energy: -84.340 flat angles P-C4'-P energy: -50.629 tors. eta vs tors. theta energy: -66.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -737.087429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.087429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.087429 (E_RNA) where: Base-Base interactions energy: -450.443 where: short stacking energy: -205.738 Base-Backbone interact. energy: 0.908 local terms energy: -287.552387 where: bonds (distance) C4'-P energy: -75.320 bonds (distance) P-C4' energy: -61.610 flat angles C4'-P-C4' energy: -62.135 flat angles P-C4'-P energy: -40.572 tors. eta vs tors. theta energy: -47.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -551.199574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.199574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.199574 (E_RNA) where: Base-Base interactions energy: -281.536 where: short stacking energy: -152.344 Base-Backbone interact. energy: -1.945 local terms energy: -267.718614 where: bonds (distance) C4'-P energy: -71.159 bonds (distance) P-C4' energy: -64.071 flat angles C4'-P-C4' energy: -67.558 flat angles P-C4'-P energy: -50.973 tors. eta vs tors. theta energy: -13.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -551.856907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.856907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.856907 (E_RNA) where: Base-Base interactions energy: -287.268 where: short stacking energy: -166.429 Base-Backbone interact. energy: -0.761 local terms energy: -263.827835 where: bonds (distance) C4'-P energy: -80.357 bonds (distance) P-C4' energy: -62.297 flat angles C4'-P-C4' energy: -63.316 flat angles P-C4'-P energy: -38.324 tors. eta vs tors. theta energy: -19.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -390.589951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.589951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.589951 (E_RNA) where: Base-Base interactions energy: -169.109 where: short stacking energy: -130.367 Base-Backbone interact. energy: 1.273 local terms energy: -222.754423 where: bonds (distance) C4'-P energy: -61.282 bonds (distance) P-C4' energy: -56.463 flat angles C4'-P-C4' energy: -61.646 flat angles P-C4'-P energy: -41.167 tors. eta vs tors. theta energy: -2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1387.241457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.241457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.241457 (E_RNA) where: Base-Base interactions energy: -939.285 where: short stacking energy: -431.799 Base-Backbone interact. energy: -1.081 local terms energy: -446.875300 where: bonds (distance) C4'-P energy: -75.657 bonds (distance) P-C4' energy: -80.836 flat angles C4'-P-C4' energy: -96.253 flat angles P-C4'-P energy: -62.310 tors. eta vs tors. theta energy: -131.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1347.598528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.598528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.598528 (E_RNA) where: Base-Base interactions energy: -899.812 where: short stacking energy: -400.195 Base-Backbone interact. energy: 1.284 local terms energy: -449.069973 where: bonds (distance) C4'-P energy: -77.120 bonds (distance) P-C4' energy: -86.363 flat angles C4'-P-C4' energy: -97.357 flat angles P-C4'-P energy: -59.499 tors. eta vs tors. theta energy: -128.732 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: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1206.255833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.255833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.255833 (E_RNA) where: Base-Base interactions energy: -800.677 where: short stacking energy: -370.965 Base-Backbone interact. energy: -1.158 local terms energy: -404.420724 where: bonds (distance) C4'-P energy: -73.947 bonds (distance) P-C4' energy: -84.483 flat angles C4'-P-C4' energy: -85.695 flat angles P-C4'-P energy: -57.411 tors. eta vs tors. theta energy: -102.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1130.834121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.834121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.834121 (E_RNA) where: Base-Base interactions energy: -738.163 where: short stacking energy: -360.233 Base-Backbone interact. energy: -1.025 local terms energy: -391.645981 where: bonds (distance) C4'-P energy: -72.605 bonds (distance) P-C4' energy: -71.194 flat angles C4'-P-C4' energy: -80.655 flat angles P-C4'-P energy: -56.156 tors. eta vs tors. theta energy: -111.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1020.940847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.940847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.940847 (E_RNA) where: Base-Base interactions energy: -646.605 where: short stacking energy: -309.331 Base-Backbone interact. energy: -0.875 local terms energy: -373.460642 where: bonds (distance) C4'-P energy: -68.779 bonds (distance) P-C4' energy: -81.949 flat angles C4'-P-C4' energy: -85.290 flat angles P-C4'-P energy: -59.755 tors. eta vs tors. theta energy: -77.687 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: 4 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -911.605723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.605723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.605723 (E_RNA) where: Base-Base interactions energy: -589.471 where: short stacking energy: -263.303 Base-Backbone interact. energy: 1.750 local terms energy: -323.884856 where: bonds (distance) C4'-P energy: -58.932 bonds (distance) P-C4' energy: -66.986 flat angles C4'-P-C4' energy: -80.324 flat angles P-C4'-P energy: -46.522 tors. eta vs tors. theta energy: -71.121 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: 7, replica: 3 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -763.959527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.959527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.959527 (E_RNA) where: Base-Base interactions energy: -462.215 where: short stacking energy: -239.179 Base-Backbone interact. energy: -0.330 local terms energy: -301.414955 where: bonds (distance) C4'-P energy: -77.273 bonds (distance) P-C4' energy: -72.210 flat angles C4'-P-C4' energy: -64.052 flat angles P-C4'-P energy: -46.605 tors. eta vs tors. theta energy: -41.276 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: 8, replica: 5 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -597.430213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.430213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.430213 (E_RNA) where: Base-Base interactions energy: -330.705 where: short stacking energy: -172.110 Base-Backbone interact. energy: 1.977 local terms energy: -268.702322 where: bonds (distance) C4'-P energy: -56.060 bonds (distance) P-C4' energy: -68.106 flat angles C4'-P-C4' energy: -69.796 flat angles P-C4'-P energy: -44.903 tors. eta vs tors. theta energy: -29.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -554.389679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.389679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.389679 (E_RNA) where: Base-Base interactions energy: -293.056 where: short stacking energy: -174.957 Base-Backbone interact. energy: 2.526 local terms energy: -263.859095 where: bonds (distance) C4'-P energy: -62.207 bonds (distance) P-C4' energy: -67.035 flat angles C4'-P-C4' energy: -65.708 flat angles P-C4'-P energy: -37.519 tors. eta vs tors. theta energy: -31.391 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: 206 Temperature: 1.350000 Total energy: -396.943935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.943935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.943935 (E_RNA) where: Base-Base interactions energy: -168.626 where: short stacking energy: -103.089 Base-Backbone interact. energy: -3.267 local terms energy: -225.051253 where: bonds (distance) C4'-P energy: -63.599 bonds (distance) P-C4' energy: -63.668 flat angles C4'-P-C4' energy: -53.031 flat angles P-C4'-P energy: -42.210 tors. eta vs tors. theta energy: -2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1379.051287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.051287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.051287 (E_RNA) where: Base-Base interactions energy: -941.047 where: short stacking energy: -436.546 Base-Backbone interact. energy: -1.152 local terms energy: -436.852783 where: bonds (distance) C4'-P energy: -69.986 bonds (distance) P-C4' energy: -79.669 flat angles C4'-P-C4' energy: -94.809 flat angles P-C4'-P energy: -62.999 tors. eta vs tors. theta energy: -129.390 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: 7 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1327.824971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.824971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.824971 (E_RNA) where: Base-Base interactions energy: -905.515 where: short stacking energy: -380.894 Base-Backbone interact. energy: -3.171 local terms energy: -419.138467 where: bonds (distance) C4'-P energy: -71.228 bonds (distance) P-C4' energy: -80.134 flat angles C4'-P-C4' energy: -92.377 flat angles P-C4'-P energy: -57.510 tors. eta vs tors. theta energy: -117.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1185.949518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.949518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.949518 (E_RNA) where: Base-Base interactions energy: -801.582 where: short stacking energy: -372.710 Base-Backbone interact. energy: -0.277 local terms energy: -384.091237 where: bonds (distance) C4'-P energy: -64.414 bonds (distance) P-C4' energy: -74.099 flat angles C4'-P-C4' energy: -80.675 flat angles P-C4'-P energy: -61.830 tors. eta vs tors. theta energy: -103.074 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: 4, replica: 9 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1131.138530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.138530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.138530 (E_RNA) where: Base-Base interactions energy: -770.464 where: short stacking energy: -352.407 Base-Backbone interact. energy: -0.808 local terms energy: -359.866328 where: bonds (distance) C4'-P energy: -74.023 bonds (distance) P-C4' energy: -72.224 flat angles C4'-P-C4' energy: -74.298 flat angles P-C4'-P energy: -44.220 tors. eta vs tors. theta energy: -95.101 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: 1 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1038.246255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.246255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.246255 (E_RNA) where: Base-Base interactions energy: -678.322 where: short stacking energy: -323.598 Base-Backbone interact. energy: -1.389 local terms energy: -358.535482 where: bonds (distance) C4'-P energy: -69.340 bonds (distance) P-C4' energy: -80.786 flat angles C4'-P-C4' energy: -76.140 flat angles P-C4'-P energy: -46.042 tors. eta vs tors. theta energy: -86.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -934.975490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.975490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.975490 (E_RNA) where: Base-Base interactions energy: -593.351 where: short stacking energy: -264.541 Base-Backbone interact. energy: -1.131 local terms energy: -340.494118 where: bonds (distance) C4'-P energy: -66.137 bonds (distance) P-C4' energy: -79.762 flat angles C4'-P-C4' energy: -73.643 flat angles P-C4'-P energy: -54.488 tors. eta vs tors. theta energy: -66.464 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: 7, replica: 3 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -757.378903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.378903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.378903 (E_RNA) where: Base-Base interactions energy: -442.383 where: short stacking energy: -214.345 Base-Backbone interact. energy: 2.979 local terms energy: -317.975559 where: bonds (distance) C4'-P energy: -74.352 bonds (distance) P-C4' energy: -79.307 flat angles C4'-P-C4' energy: -77.970 flat angles P-C4'-P energy: -44.619 tors. eta vs tors. theta energy: -41.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -565.800703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.800703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.800703 (E_RNA) where: Base-Base interactions energy: -315.152 where: short stacking energy: -165.582 Base-Backbone interact. energy: 0.479 local terms energy: -251.127433 where: bonds (distance) C4'-P energy: -68.499 bonds (distance) P-C4' energy: -65.856 flat angles C4'-P-C4' energy: -59.669 flat angles P-C4'-P energy: -33.385 tors. eta vs tors. theta energy: -23.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -521.042077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.042077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.042077 (E_RNA) where: Base-Base interactions energy: -283.154 where: short stacking energy: -163.955 Base-Backbone interact. energy: 1.201 local terms energy: -239.089122 where: bonds (distance) C4'-P energy: -64.579 bonds (distance) P-C4' energy: -57.930 flat angles C4'-P-C4' energy: -54.793 flat angles P-C4'-P energy: -42.214 tors. eta vs tors. theta energy: -19.574 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: 10, replica: 8 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -401.458460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.458460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.458460 (E_RNA) where: Base-Base interactions energy: -196.048 where: short stacking energy: -133.736 Base-Backbone interact. energy: -2.480 local terms energy: -202.930643 where: bonds (distance) C4'-P energy: -55.347 bonds (distance) P-C4' energy: -60.148 flat angles C4'-P-C4' energy: -50.661 flat angles P-C4'-P energy: -32.218 tors. eta vs tors. theta energy: -4.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1374.031394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.031394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.031394 (E_RNA) where: Base-Base interactions energy: -919.971 where: short stacking energy: -428.102 Base-Backbone interact. energy: -1.669 local terms energy: -452.391775 where: bonds (distance) C4'-P energy: -76.826 bonds (distance) P-C4' energy: -76.407 flat angles C4'-P-C4' energy: -93.850 flat angles P-C4'-P energy: -67.958 tors. eta vs tors. theta energy: -137.351 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: 208 Temperature: 0.950000 Total energy: -1321.708709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.708709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.708709 (E_RNA) where: Base-Base interactions energy: -927.895 where: short stacking energy: -408.814 Base-Backbone interact. energy: -1.013 local terms energy: -392.801052 where: bonds (distance) C4'-P energy: -76.851 bonds (distance) P-C4' energy: -66.691 flat angles C4'-P-C4' energy: -81.687 flat angles P-C4'-P energy: -43.816 tors. eta vs tors. theta energy: -123.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1197.799765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.799765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.799765 (E_RNA) where: Base-Base interactions energy: -795.963 where: short stacking energy: -377.874 Base-Backbone interact. energy: -2.585 local terms energy: -399.251050 where: bonds (distance) C4'-P energy: -68.008 bonds (distance) P-C4' energy: -82.926 flat angles C4'-P-C4' energy: -81.974 flat angles P-C4'-P energy: -57.694 tors. eta vs tors. theta energy: -108.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1160.515342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.515342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.515342 (E_RNA) where: Base-Base interactions energy: -755.263 where: short stacking energy: -364.537 Base-Backbone interact. energy: -0.810 local terms energy: -404.442004 where: bonds (distance) C4'-P energy: -77.738 bonds (distance) P-C4' energy: -71.746 flat angles C4'-P-C4' energy: -84.766 flat angles P-C4'-P energy: -50.913 tors. eta vs tors. theta energy: -119.279 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: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1012.116728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.116728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.116728 (E_RNA) where: Base-Base interactions energy: -655.031 where: short stacking energy: -322.099 Base-Backbone interact. energy: -1.717 local terms energy: -355.368533 where: bonds (distance) C4'-P energy: -71.655 bonds (distance) P-C4' energy: -73.859 flat angles C4'-P-C4' energy: -79.982 flat angles P-C4'-P energy: -45.374 tors. eta vs tors. theta energy: -84.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -915.846848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.846848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.846848 (E_RNA) where: Base-Base interactions energy: -584.383 where: short stacking energy: -255.061 Base-Backbone interact. energy: -2.255 local terms energy: -329.208874 where: bonds (distance) C4'-P energy: -63.871 bonds (distance) P-C4' energy: -76.990 flat angles C4'-P-C4' energy: -81.925 flat angles P-C4'-P energy: -38.622 tors. eta vs tors. theta energy: -67.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -722.189784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.189784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.189784 (E_RNA) where: Base-Base interactions energy: -420.461 where: short stacking energy: -199.578 Base-Backbone interact. energy: 0.185 local terms energy: -301.914032 where: bonds (distance) C4'-P energy: -78.030 bonds (distance) P-C4' energy: -66.667 flat angles C4'-P-C4' energy: -68.388 flat angles P-C4'-P energy: -52.967 tors. eta vs tors. theta energy: -35.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -568.492976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.492976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.492976 (E_RNA) where: Base-Base interactions energy: -309.764 where: short stacking energy: -161.595 Base-Backbone interact. energy: -1.286 local terms energy: -257.442704 where: bonds (distance) C4'-P energy: -58.292 bonds (distance) P-C4' energy: -69.956 flat angles C4'-P-C4' energy: -53.996 flat angles P-C4'-P energy: -53.978 tors. eta vs tors. theta energy: -21.220 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: 6 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -521.289474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.289474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.289474 (E_RNA) where: Base-Base interactions energy: -275.849 where: short stacking energy: -155.249 Base-Backbone interact. energy: 0.969 local terms energy: -246.408872 where: bonds (distance) C4'-P energy: -75.001 bonds (distance) P-C4' energy: -78.799 flat angles C4'-P-C4' energy: -53.237 flat angles P-C4'-P energy: -30.411 tors. eta vs tors. theta energy: -8.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -410.067095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.067095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.067095 (E_RNA) where: Base-Base interactions energy: -190.301 where: short stacking energy: -119.010 Base-Backbone interact. energy: 5.695 local terms energy: -225.461379 where: bonds (distance) C4'-P energy: -68.255 bonds (distance) P-C4' energy: -73.854 flat angles C4'-P-C4' energy: -60.199 flat angles P-C4'-P energy: -26.919 tors. eta vs tors. theta energy: 3.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1418.080123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.080123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.080123 (E_RNA) where: Base-Base interactions energy: -965.533 where: short stacking energy: -419.378 Base-Backbone interact. energy: -1.932 local terms energy: -450.614788 where: bonds (distance) C4'-P energy: -80.343 bonds (distance) P-C4' energy: -76.198 flat angles C4'-P-C4' energy: -92.576 flat angles P-C4'-P energy: -67.756 tors. eta vs tors. theta energy: -133.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1322.959731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.959731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.959731 (E_RNA) where: Base-Base interactions energy: -884.231 where: short stacking energy: -370.353 Base-Backbone interact. energy: -2.278 local terms energy: -436.450941 where: bonds (distance) C4'-P energy: -82.219 bonds (distance) P-C4' energy: -83.673 flat angles C4'-P-C4' energy: -92.962 flat angles P-C4'-P energy: -64.400 tors. eta vs tors. theta energy: -113.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1178.209925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.209925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.209925 (E_RNA) where: Base-Base interactions energy: -804.466 where: short stacking energy: -361.449 Base-Backbone interact. energy: -2.347 local terms energy: -371.396394 where: bonds (distance) C4'-P energy: -57.550 bonds (distance) P-C4' energy: -67.651 flat angles C4'-P-C4' energy: -83.166 flat angles P-C4'-P energy: -58.625 tors. eta vs tors. theta energy: -104.404 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: 9 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1162.477122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.477122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.477122 (E_RNA) where: Base-Base interactions energy: -779.018 where: short stacking energy: -365.365 Base-Backbone interact. energy: -2.411 local terms energy: -381.048660 where: bonds (distance) C4'-P energy: -65.396 bonds (distance) P-C4' energy: -70.963 flat angles C4'-P-C4' energy: -77.331 flat angles P-C4'-P energy: -56.575 tors. eta vs tors. theta energy: -110.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -960.907236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.907236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.907236 (E_RNA) where: Base-Base interactions energy: -614.893 where: short stacking energy: -295.382 Base-Backbone interact. energy: -1.535 local terms energy: -344.479261 where: bonds (distance) C4'-P energy: -68.101 bonds (distance) P-C4' energy: -71.438 flat angles C4'-P-C4' energy: -79.144 flat angles P-C4'-P energy: -48.987 tors. eta vs tors. theta energy: -76.810 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: 209 Temperature: 1.150000 Total energy: -927.802781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.802781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.802781 (E_RNA) where: Base-Base interactions energy: -593.218 where: short stacking energy: -285.883 Base-Backbone interact. energy: -1.773 local terms energy: -332.812026 where: bonds (distance) C4'-P energy: -73.469 bonds (distance) P-C4' energy: -67.941 flat angles C4'-P-C4' energy: -70.986 flat angles P-C4'-P energy: -45.361 tors. eta vs tors. theta energy: -75.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -723.381341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.381341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.381341 (E_RNA) where: Base-Base interactions energy: -431.980 where: short stacking energy: -214.714 Base-Backbone interact. energy: -1.279 local terms energy: -290.122003 where: bonds (distance) C4'-P energy: -66.292 bonds (distance) P-C4' energy: -65.474 flat angles C4'-P-C4' energy: -76.975 flat angles P-C4'-P energy: -41.575 tors. eta vs tors. theta energy: -39.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -541.200269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.200269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.200269 (E_RNA) where: Base-Base interactions energy: -283.628 where: short stacking energy: -170.641 Base-Backbone interact. energy: -1.422 local terms energy: -256.149652 where: bonds (distance) C4'-P energy: -65.039 bonds (distance) P-C4' energy: -56.456 flat angles C4'-P-C4' energy: -73.171 flat angles P-C4'-P energy: -33.541 tors. eta vs tors. theta energy: -27.942 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: 5 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -505.479410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.479410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.479410 (E_RNA) where: Base-Base interactions energy: -270.588 where: short stacking energy: -149.060 Base-Backbone interact. energy: 0.922 local terms energy: -235.813055 where: bonds (distance) C4'-P energy: -75.680 bonds (distance) P-C4' energy: -72.193 flat angles C4'-P-C4' energy: -57.378 flat angles P-C4'-P energy: -25.104 tors. eta vs tors. theta energy: -5.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -385.280092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.280092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.280092 (E_RNA) where: Base-Base interactions energy: -165.125 where: short stacking energy: -101.839 Base-Backbone interact. energy: 0.565 local terms energy: -220.719474 where: bonds (distance) C4'-P energy: -64.438 bonds (distance) P-C4' energy: -65.455 flat angles C4'-P-C4' energy: -62.107 flat angles P-C4'-P energy: -37.000 tors. eta vs tors. theta energy: 8.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1366.264034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.264034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.264034 (E_RNA) where: Base-Base interactions energy: -928.501 where: short stacking energy: -423.769 Base-Backbone interact. energy: -1.299 local terms energy: -436.463407 where: bonds (distance) C4'-P energy: -87.803 bonds (distance) P-C4' energy: -69.084 flat angles C4'-P-C4' energy: -90.925 flat angles P-C4'-P energy: -65.252 tors. eta vs tors. theta energy: -123.399 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: 7 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1302.894078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.894078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.894078 (E_RNA) where: Base-Base interactions energy: -884.761 where: short stacking energy: -383.487 Base-Backbone interact. energy: -1.695 local terms energy: -416.438834 where: bonds (distance) C4'-P energy: -83.269 bonds (distance) P-C4' energy: -70.350 flat angles C4'-P-C4' energy: -93.291 flat angles P-C4'-P energy: -57.573 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: 3, replica: 2 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1203.094538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.094538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.094538 (E_RNA) where: Base-Base interactions energy: -793.701 where: short stacking energy: -360.748 Base-Backbone interact. energy: -2.990 local terms energy: -406.404201 where: bonds (distance) C4'-P energy: -84.048 bonds (distance) P-C4' energy: -80.565 flat angles C4'-P-C4' energy: -80.460 flat angles P-C4'-P energy: -52.869 tors. eta vs tors. theta energy: -108.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1162.027978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.027978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.027978 (E_RNA) where: Base-Base interactions energy: -781.516 where: short stacking energy: -344.554 Base-Backbone interact. energy: 2.076 local terms energy: -382.587659 where: bonds (distance) C4'-P energy: -85.397 bonds (distance) P-C4' energy: -64.349 flat angles C4'-P-C4' energy: -83.727 flat angles P-C4'-P energy: -46.936 tors. eta vs tors. theta energy: -102.180 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: 5, replica: 4 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -987.965399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.965399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.965399 (E_RNA) where: Base-Base interactions energy: -635.881 where: short stacking energy: -298.585 Base-Backbone interact. energy: -1.649 local terms energy: -350.435421 where: bonds (distance) C4'-P energy: -78.522 bonds (distance) P-C4' energy: -72.011 flat angles C4'-P-C4' energy: -79.166 flat angles P-C4'-P energy: -48.200 tors. eta vs tors. theta energy: -72.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -942.119630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.119630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.119630 (E_RNA) where: Base-Base interactions energy: -610.115 where: short stacking energy: -275.114 Base-Backbone interact. energy: -1.414 local terms energy: -330.590260 where: bonds (distance) C4'-P energy: -67.772 bonds (distance) P-C4' energy: -67.415 flat angles C4'-P-C4' energy: -87.949 flat angles P-C4'-P energy: -39.468 tors. eta vs tors. theta energy: -67.986 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: 7, replica: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -729.203834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.203834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.203834 (E_RNA) where: Base-Base interactions energy: -450.515 where: short stacking energy: -226.888 Base-Backbone interact. energy: 0.667 local terms energy: -279.355601 where: bonds (distance) C4'-P energy: -59.387 bonds (distance) P-C4' energy: -66.423 flat angles C4'-P-C4' energy: -79.122 flat angles P-C4'-P energy: -41.194 tors. eta vs tors. theta energy: -33.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -580.867636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.867636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.867636 (E_RNA) where: Base-Base interactions energy: -307.149 where: short stacking energy: -190.031 Base-Backbone interact. energy: -2.169 local terms energy: -271.549840 where: bonds (distance) C4'-P energy: -64.016 bonds (distance) P-C4' energy: -69.293 flat angles C4'-P-C4' energy: -65.425 flat angles P-C4'-P energy: -35.643 tors. eta vs tors. theta energy: -37.173 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: 5 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -515.533299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.533299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.533299 (E_RNA) where: Base-Base interactions energy: -265.378 where: short stacking energy: -169.135 Base-Backbone interact. energy: -0.715 local terms energy: -249.440285 where: bonds (distance) C4'-P energy: -70.281 bonds (distance) P-C4' energy: -64.778 flat angles C4'-P-C4' energy: -52.558 flat angles P-C4'-P energy: -35.420 tors. eta vs tors. theta energy: -26.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -446.896383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.896383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.896383 (E_RNA) where: Base-Base interactions energy: -230.224 where: short stacking energy: -129.699 Base-Backbone interact. energy: -0.040 local terms energy: -216.632340 where: bonds (distance) C4'-P energy: -56.562 bonds (distance) P-C4' energy: -71.453 flat angles C4'-P-C4' energy: -64.506 flat angles P-C4'-P energy: -24.115 tors. eta vs tors. theta energy: 0.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1398.034032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.034032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.034032 (E_RNA) where: Base-Base interactions energy: -946.803 where: short stacking energy: -423.796 Base-Backbone interact. energy: 0.664 local terms energy: -451.894515 where: bonds (distance) C4'-P energy: -82.285 bonds (distance) P-C4' energy: -83.981 flat angles C4'-P-C4' energy: -90.703 flat angles P-C4'-P energy: -64.473 tors. eta vs tors. theta energy: -130.452 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: 7 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1320.324955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.324955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.324955 (E_RNA) where: Base-Base interactions energy: -882.559 where: short stacking energy: -366.420 Base-Backbone interact. energy: -3.468 local terms energy: -434.297684 where: bonds (distance) C4'-P energy: -78.370 bonds (distance) P-C4' energy: -84.730 flat angles C4'-P-C4' energy: -92.429 flat angles P-C4'-P energy: -59.401 tors. eta vs tors. theta energy: -119.368 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: 2 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1184.090653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.090653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.090653 (E_RNA) where: Base-Base interactions energy: -794.689 where: short stacking energy: -377.259 Base-Backbone interact. energy: 3.386 local terms energy: -392.787760 where: bonds (distance) C4'-P energy: -65.908 bonds (distance) P-C4' energy: -76.787 flat angles C4'-P-C4' energy: -88.268 flat angles P-C4'-P energy: -62.245 tors. eta vs tors. theta energy: -99.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1163.377465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.377465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.377465 (E_RNA) where: Base-Base interactions energy: -768.198 where: short stacking energy: -344.678 Base-Backbone interact. energy: -2.546 local terms energy: -392.633796 where: bonds (distance) C4'-P energy: -79.242 bonds (distance) P-C4' energy: -77.788 flat angles C4'-P-C4' energy: -76.829 flat angles P-C4'-P energy: -56.146 tors. eta vs tors. theta energy: -102.629 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: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -988.080243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.080243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.080243 (E_RNA) where: Base-Base interactions energy: -644.049 where: short stacking energy: -301.609 Base-Backbone interact. energy: 0.909 local terms energy: -344.940585 where: bonds (distance) C4'-P energy: -73.773 bonds (distance) P-C4' energy: -69.135 flat angles C4'-P-C4' energy: -76.077 flat angles P-C4'-P energy: -48.341 tors. eta vs tors. theta energy: -77.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -955.859185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.859185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.859185 (E_RNA) where: Base-Base interactions energy: -611.957 where: short stacking energy: -287.250 Base-Backbone interact. energy: 0.705 local terms energy: -344.607634 where: bonds (distance) C4'-P energy: -58.413 bonds (distance) P-C4' energy: -81.198 flat angles C4'-P-C4' energy: -70.779 flat angles P-C4'-P energy: -52.768 tors. eta vs tors. theta energy: -81.450 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: 3 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -731.807062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.807062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.807062 (E_RNA) where: Base-Base interactions energy: -444.157 where: short stacking energy: -220.293 Base-Backbone interact. energy: -0.112 local terms energy: -287.537565 where: bonds (distance) C4'-P energy: -73.907 bonds (distance) P-C4' energy: -64.586 flat angles C4'-P-C4' energy: -71.846 flat angles P-C4'-P energy: -50.090 tors. eta vs tors. theta energy: -27.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -531.685034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.685034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.685034 (E_RNA) where: Base-Base interactions energy: -266.036 where: short stacking energy: -166.592 Base-Backbone interact. energy: -1.835 local terms energy: -263.813864 where: bonds (distance) C4'-P energy: -73.141 bonds (distance) P-C4' energy: -74.072 flat angles C4'-P-C4' energy: -64.985 flat angles P-C4'-P energy: -33.698 tors. eta vs tors. theta energy: -17.917 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: 6 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -512.143573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.143573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.143573 (E_RNA) where: Base-Base interactions energy: -272.149 where: short stacking energy: -146.224 Base-Backbone interact. energy: -1.236 local terms energy: -238.758536 where: bonds (distance) C4'-P energy: -67.491 bonds (distance) P-C4' energy: -75.035 flat angles C4'-P-C4' energy: -51.441 flat angles P-C4'-P energy: -30.277 tors. eta vs tors. theta energy: -14.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -396.043621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.043621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.043621 (E_RNA) where: Base-Base interactions energy: -203.129 where: short stacking energy: -131.450 Base-Backbone interact. energy: -2.698 local terms energy: -190.216712 where: bonds (distance) C4'-P energy: -49.879 bonds (distance) P-C4' energy: -51.683 flat angles C4'-P-C4' energy: -68.164 flat angles P-C4'-P energy: -20.772 tors. eta vs tors. theta energy: 0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1415.998300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.998300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.998300 (E_RNA) where: Base-Base interactions energy: -956.216 where: short stacking energy: -444.946 Base-Backbone interact. energy: 0.500 local terms energy: -460.282319 where: bonds (distance) C4'-P energy: -79.348 bonds (distance) P-C4' energy: -84.534 flat angles C4'-P-C4' energy: -92.432 flat angles P-C4'-P energy: -65.899 tors. eta vs tors. theta energy: -138.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1310.018268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.018268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.018268 (E_RNA) where: Base-Base interactions energy: -908.837 where: short stacking energy: -383.887 Base-Backbone interact. energy: -2.364 local terms energy: -398.816745 where: bonds (distance) C4'-P energy: -70.590 bonds (distance) P-C4' energy: -82.140 flat angles C4'-P-C4' energy: -87.327 flat angles P-C4'-P energy: -40.363 tors. eta vs tors. theta energy: -118.396 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: 2 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1178.293446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.293446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.293446 (E_RNA) where: Base-Base interactions energy: -785.681 where: short stacking energy: -344.661 Base-Backbone interact. energy: -0.057 local terms energy: -392.556044 where: bonds (distance) C4'-P energy: -79.403 bonds (distance) P-C4' energy: -77.303 flat angles C4'-P-C4' energy: -85.226 flat angles P-C4'-P energy: -45.406 tors. eta vs tors. theta energy: -105.217 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: 9 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1174.847259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.847259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.847259 (E_RNA) where: Base-Base interactions energy: -786.074 where: short stacking energy: -353.222 Base-Backbone interact. energy: -2.003 local terms energy: -386.770267 where: bonds (distance) C4'-P energy: -79.389 bonds (distance) P-C4' energy: -64.513 flat angles C4'-P-C4' energy: -79.965 flat angles P-C4'-P energy: -44.933 tors. eta vs tors. theta energy: -117.970 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: 212 Temperature: 1.100000 Total energy: -1002.656283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.656283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.656283 (E_RNA) where: Base-Base interactions energy: -663.596 where: short stacking energy: -295.309 Base-Backbone interact. energy: 0.455 local terms energy: -339.514713 where: bonds (distance) C4'-P energy: -68.651 bonds (distance) P-C4' energy: -63.543 flat angles C4'-P-C4' energy: -79.599 flat angles P-C4'-P energy: -45.963 tors. eta vs tors. theta energy: -81.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -930.960404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.960404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.960404 (E_RNA) where: Base-Base interactions energy: -605.449 where: short stacking energy: -285.130 Base-Backbone interact. energy: -1.481 local terms energy: -324.030326 where: bonds (distance) C4'-P energy: -65.095 bonds (distance) P-C4' energy: -82.294 flat angles C4'-P-C4' energy: -63.916 flat angles P-C4'-P energy: -46.082 tors. eta vs tors. theta energy: -66.644 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: 3 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -702.626115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.626115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.626115 (E_RNA) where: Base-Base interactions energy: -416.085 where: short stacking energy: -221.904 Base-Backbone interact. energy: 1.177 local terms energy: -287.718339 where: bonds (distance) C4'-P energy: -72.784 bonds (distance) P-C4' energy: -68.584 flat angles C4'-P-C4' energy: -71.007 flat angles P-C4'-P energy: -40.504 tors. eta vs tors. theta energy: -34.839 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: 5 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -504.777263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.777263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.777263 (E_RNA) where: Base-Base interactions energy: -247.398 where: short stacking energy: -149.149 Base-Backbone interact. energy: 0.968 local terms energy: -258.346866 where: bonds (distance) C4'-P energy: -67.103 bonds (distance) P-C4' energy: -76.692 flat angles C4'-P-C4' energy: -62.448 flat angles P-C4'-P energy: -32.063 tors. eta vs tors. theta energy: -20.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -482.273898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.273898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.273898 (E_RNA) where: Base-Base interactions energy: -229.794 where: short stacking energy: -121.408 Base-Backbone interact. energy: 1.653 local terms energy: -254.132897 where: bonds (distance) C4'-P energy: -61.041 bonds (distance) P-C4' energy: -73.192 flat angles C4'-P-C4' energy: -65.582 flat angles P-C4'-P energy: -43.876 tors. eta vs tors. theta energy: -10.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -482.636053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.636053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.636053 (E_RNA) where: Base-Base interactions energy: -249.248 where: short stacking energy: -144.791 Base-Backbone interact. energy: -1.493 local terms energy: -231.894612 where: bonds (distance) C4'-P energy: -67.287 bonds (distance) P-C4' energy: -52.242 flat angles C4'-P-C4' energy: -56.089 flat angles P-C4'-P energy: -37.029 tors. eta vs tors. theta energy: -19.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1370.062048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.062048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.062048 (E_RNA) where: Base-Base interactions energy: -936.782 where: short stacking energy: -411.710 Base-Backbone interact. energy: 6.713 local terms energy: -439.992991 where: bonds (distance) C4'-P energy: -79.548 bonds (distance) P-C4' energy: -75.537 flat angles C4'-P-C4' energy: -95.917 flat angles P-C4'-P energy: -59.379 tors. eta vs tors. theta energy: -129.613 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: 2, replica: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1284.985587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.985587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.985587 (E_RNA) where: Base-Base interactions energy: -876.278 where: short stacking energy: -372.840 Base-Backbone interact. energy: -2.011 local terms energy: -406.696481 where: bonds (distance) C4'-P energy: -61.312 bonds (distance) P-C4' energy: -81.419 flat angles C4'-P-C4' energy: -89.703 flat angles P-C4'-P energy: -57.178 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: 3, replica: 2 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1151.175728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.175728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.175728 (E_RNA) where: Base-Base interactions energy: -773.950 where: short stacking energy: -353.501 Base-Backbone interact. energy: -1.289 local terms energy: -375.936512 where: bonds (distance) C4'-P energy: -70.165 bonds (distance) P-C4' energy: -72.732 flat angles C4'-P-C4' energy: -81.811 flat angles P-C4'-P energy: -59.298 tors. eta vs tors. theta energy: -91.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1122.163476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.163476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.163476 (E_RNA) where: Base-Base interactions energy: -752.336 where: short stacking energy: -352.804 Base-Backbone interact. energy: 0.532 local terms energy: -370.359835 where: bonds (distance) C4'-P energy: -73.275 bonds (distance) P-C4' energy: -84.313 flat angles C4'-P-C4' energy: -72.178 flat angles P-C4'-P energy: -56.027 tors. eta vs tors. theta energy: -84.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -984.024315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.024315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.024315 (E_RNA) where: Base-Base interactions energy: -633.769 where: short stacking energy: -304.675 Base-Backbone interact. energy: 0.876 local terms energy: -351.131852 where: bonds (distance) C4'-P energy: -75.431 bonds (distance) P-C4' energy: -75.939 flat angles C4'-P-C4' energy: -73.560 flat angles P-C4'-P energy: -44.816 tors. eta vs tors. theta energy: -81.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -927.286788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.286788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.286788 (E_RNA) where: Base-Base interactions energy: -591.419 where: short stacking energy: -268.863 Base-Backbone interact. energy: 1.418 local terms energy: -337.285811 where: bonds (distance) C4'-P energy: -73.249 bonds (distance) P-C4' energy: -70.307 flat angles C4'-P-C4' energy: -84.913 flat angles P-C4'-P energy: -55.410 tors. eta vs tors. theta energy: -53.406 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: 3 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -666.324079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.324079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.324079 (E_RNA) where: Base-Base interactions energy: -392.061 where: short stacking energy: -195.681 Base-Backbone interact. energy: 0.762 local terms energy: -275.025478 where: bonds (distance) C4'-P energy: -66.081 bonds (distance) P-C4' energy: -68.406 flat angles C4'-P-C4' energy: -61.886 flat angles P-C4'-P energy: -42.589 tors. eta vs tors. theta energy: -36.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -551.611094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.611094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.611094 (E_RNA) where: Base-Base interactions energy: -301.029 where: short stacking energy: -185.893 Base-Backbone interact. energy: -0.062 local terms energy: -250.520114 where: bonds (distance) C4'-P energy: -69.057 bonds (distance) P-C4' energy: -51.794 flat angles C4'-P-C4' energy: -65.921 flat angles P-C4'-P energy: -37.316 tors. eta vs tors. theta energy: -26.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -557.673172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.673172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.673172 (E_RNA) where: Base-Base interactions energy: -317.509 where: short stacking energy: -166.429 Base-Backbone interact. energy: -1.659 local terms energy: -238.505212 where: bonds (distance) C4'-P energy: -68.423 bonds (distance) P-C4' energy: -70.370 flat angles C4'-P-C4' energy: -42.327 flat angles P-C4'-P energy: -45.576 tors. eta vs tors. theta energy: -11.810 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: 213 Temperature: 1.350000 Total energy: -478.397099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.397099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.397099 (E_RNA) where: Base-Base interactions energy: -229.466 where: short stacking energy: -123.997 Base-Backbone interact. energy: 5.346 local terms energy: -254.276880 where: bonds (distance) C4'-P energy: -68.592 bonds (distance) P-C4' energy: -69.946 flat angles C4'-P-C4' energy: -68.298 flat angles P-C4'-P energy: -41.504 tors. eta vs tors. theta energy: -5.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1362.649179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.649179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.649179 (E_RNA) where: Base-Base interactions energy: -924.641 where: short stacking energy: -418.135 Base-Backbone interact. energy: 1.018 local terms energy: -439.026394 where: bonds (distance) C4'-P energy: -86.785 bonds (distance) P-C4' energy: -73.576 flat angles C4'-P-C4' energy: -93.973 flat angles P-C4'-P energy: -62.872 tors. eta vs tors. theta energy: -121.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1314.636166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.636166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.636166 (E_RNA) where: Base-Base interactions energy: -888.371 where: short stacking energy: -382.549 Base-Backbone interact. energy: -1.081 local terms energy: -425.184672 where: bonds (distance) C4'-P energy: -85.045 bonds (distance) P-C4' energy: -83.784 flat angles C4'-P-C4' energy: -88.600 flat angles P-C4'-P energy: -52.353 tors. eta vs tors. theta energy: -115.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1198.528010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.528010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.528010 (E_RNA) where: Base-Base interactions energy: -817.301 where: short stacking energy: -352.280 Base-Backbone interact. energy: 1.302 local terms energy: -382.529536 where: bonds (distance) C4'-P energy: -70.266 bonds (distance) P-C4' energy: -63.306 flat angles C4'-P-C4' energy: -82.153 flat angles P-C4'-P energy: -63.039 tors. eta vs tors. theta energy: -103.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1155.391120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.391120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.391120 (E_RNA) where: Base-Base interactions energy: -780.682 where: short stacking energy: -351.621 Base-Backbone interact. energy: -1.814 local terms energy: -372.895113 where: bonds (distance) C4'-P energy: -69.967 bonds (distance) P-C4' energy: -60.077 flat angles C4'-P-C4' energy: -80.517 flat angles P-C4'-P energy: -54.007 tors. eta vs tors. theta energy: -108.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -942.725839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.725839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.725839 (E_RNA) where: Base-Base interactions energy: -598.366 where: short stacking energy: -283.471 Base-Backbone interact. energy: -1.898 local terms energy: -342.461628 where: bonds (distance) C4'-P energy: -81.913 bonds (distance) P-C4' energy: -68.856 flat angles C4'-P-C4' energy: -77.168 flat angles P-C4'-P energy: -47.225 tors. eta vs tors. theta energy: -67.299 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: 6, replica: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -910.843150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.843150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.843150 (E_RNA) where: Base-Base interactions energy: -598.186 where: short stacking energy: -261.333 Base-Backbone interact. energy: -1.556 local terms energy: -311.101088 where: bonds (distance) C4'-P energy: -57.945 bonds (distance) P-C4' energy: -73.799 flat angles C4'-P-C4' energy: -73.921 flat angles P-C4'-P energy: -42.737 tors. eta vs tors. theta energy: -62.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -711.904329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.904329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.904329 (E_RNA) where: Base-Base interactions energy: -436.213 where: short stacking energy: -200.531 Base-Backbone interact. energy: 0.993 local terms energy: -276.684838 where: bonds (distance) C4'-P energy: -55.520 bonds (distance) P-C4' energy: -68.017 flat angles C4'-P-C4' energy: -73.467 flat angles P-C4'-P energy: -42.760 tors. eta vs tors. theta energy: -36.921 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: 5 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -553.709970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.709970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.709970 (E_RNA) where: Base-Base interactions energy: -294.354 where: short stacking energy: -178.789 Base-Backbone interact. energy: 2.451 local terms energy: -261.806983 where: bonds (distance) C4'-P energy: -72.856 bonds (distance) P-C4' energy: -58.540 flat angles C4'-P-C4' energy: -72.161 flat angles P-C4'-P energy: -32.406 tors. eta vs tors. theta energy: -25.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -562.829636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.829636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.829636 (E_RNA) where: Base-Base interactions energy: -323.012 where: short stacking energy: -159.582 Base-Backbone interact. energy: -1.217 local terms energy: -238.599933 where: bonds (distance) C4'-P energy: -56.814 bonds (distance) P-C4' energy: -65.438 flat angles C4'-P-C4' energy: -71.904 flat angles P-C4'-P energy: -32.495 tors. eta vs tors. theta energy: -11.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -506.262612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.262612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.262612 (E_RNA) where: Base-Base interactions energy: -248.204 where: short stacking energy: -143.002 Base-Backbone interact. energy: -0.620 local terms energy: -257.438670 where: bonds (distance) C4'-P energy: -62.618 bonds (distance) P-C4' energy: -75.718 flat angles C4'-P-C4' energy: -60.423 flat angles P-C4'-P energy: -33.546 tors. eta vs tors. theta energy: -25.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1361.599144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.599144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.599144 (E_RNA) where: Base-Base interactions energy: -926.317 where: short stacking energy: -427.740 Base-Backbone interact. energy: 0.291 local terms energy: -435.573095 where: bonds (distance) C4'-P energy: -63.575 bonds (distance) P-C4' energy: -87.279 flat angles C4'-P-C4' energy: -96.653 flat angles P-C4'-P energy: -62.210 tors. eta vs tors. theta energy: -125.857 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: 7 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1321.324881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.324881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.324881 (E_RNA) where: Base-Base interactions energy: -906.362 where: short stacking energy: -383.712 Base-Backbone interact. energy: -2.798 local terms energy: -412.164901 where: bonds (distance) C4'-P energy: -72.369 bonds (distance) P-C4' energy: -82.552 flat angles C4'-P-C4' energy: -91.398 flat angles P-C4'-P energy: -52.859 tors. eta vs tors. theta energy: -112.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1171.474945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.474945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.474945 (E_RNA) where: Base-Base interactions energy: -781.588 where: short stacking energy: -367.043 Base-Backbone interact. energy: -2.096 local terms energy: -387.790934 where: bonds (distance) C4'-P energy: -76.782 bonds (distance) P-C4' energy: -71.278 flat angles C4'-P-C4' energy: -84.394 flat angles P-C4'-P energy: -54.339 tors. eta vs tors. theta energy: -100.998 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: 9 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1129.451493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.451493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.451493 (E_RNA) where: Base-Base interactions energy: -767.719 where: short stacking energy: -354.718 Base-Backbone interact. energy: 5.234 local terms energy: -366.966379 where: bonds (distance) C4'-P energy: -56.067 bonds (distance) P-C4' energy: -78.309 flat angles C4'-P-C4' energy: -79.529 flat angles P-C4'-P energy: -57.243 tors. eta vs tors. theta energy: -95.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -947.430683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.430683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.430683 (E_RNA) where: Base-Base interactions energy: -610.271 where: short stacking energy: -296.128 Base-Backbone interact. energy: 1.371 local terms energy: -338.531056 where: bonds (distance) C4'-P energy: -71.604 bonds (distance) P-C4' energy: -75.858 flat angles C4'-P-C4' energy: -75.058 flat angles P-C4'-P energy: -36.936 tors. eta vs tors. theta energy: -79.074 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: 4 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -915.550730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.550730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.550730 (E_RNA) where: Base-Base interactions energy: -591.145 where: short stacking energy: -271.827 Base-Backbone interact. energy: -0.736 local terms energy: -323.669420 where: bonds (distance) C4'-P energy: -64.798 bonds (distance) P-C4' energy: -71.160 flat angles C4'-P-C4' energy: -72.849 flat angles P-C4'-P energy: -49.271 tors. eta vs tors. theta energy: -65.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -707.028208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.028208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.028208 (E_RNA) where: Base-Base interactions energy: -411.079 where: short stacking energy: -213.898 Base-Backbone interact. energy: -0.611 local terms energy: -295.338094 where: bonds (distance) C4'-P energy: -55.151 bonds (distance) P-C4' energy: -75.397 flat angles C4'-P-C4' energy: -77.744 flat angles P-C4'-P energy: -43.175 tors. eta vs tors. theta energy: -43.872 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: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -610.266194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.266194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.266194 (E_RNA) where: Base-Base interactions energy: -324.533 where: short stacking energy: -141.562 Base-Backbone interact. energy: -2.515 local terms energy: -283.218157 where: bonds (distance) C4'-P energy: -75.778 bonds (distance) P-C4' energy: -77.891 flat angles C4'-P-C4' energy: -65.679 flat angles P-C4'-P energy: -42.581 tors. eta vs tors. theta energy: -21.289 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: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -473.892627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.892627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.892627 (E_RNA) where: Base-Base interactions energy: -221.346 where: short stacking energy: -137.489 Base-Backbone interact. energy: 1.605 local terms energy: -254.151436 where: bonds (distance) C4'-P energy: -79.678 bonds (distance) P-C4' energy: -72.003 flat angles C4'-P-C4' energy: -40.920 flat angles P-C4'-P energy: -44.568 tors. eta vs tors. theta energy: -16.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -438.246789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.246789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.246789 (E_RNA) where: Base-Base interactions energy: -203.246 where: short stacking energy: -115.120 Base-Backbone interact. energy: 2.511 local terms energy: -237.511157 where: bonds (distance) C4'-P energy: -57.401 bonds (distance) P-C4' energy: -59.236 flat angles C4'-P-C4' energy: -69.111 flat angles P-C4'-P energy: -46.733 tors. eta vs tors. theta energy: -5.031 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: 1, replica: 10 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1358.540448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.540448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.540448 (E_RNA) where: Base-Base interactions energy: -916.761 where: short stacking energy: -413.744 Base-Backbone interact. energy: -0.838 local terms energy: -440.941778 where: bonds (distance) C4'-P energy: -82.725 bonds (distance) P-C4' energy: -87.187 flat angles C4'-P-C4' energy: -90.465 flat angles P-C4'-P energy: -57.559 tors. eta vs tors. theta energy: -123.006 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: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1311.005850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.005850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.005850 (E_RNA) where: Base-Base interactions energy: -881.169 where: short stacking energy: -378.504 Base-Backbone interact. energy: -1.752 local terms energy: -428.084191 where: bonds (distance) C4'-P energy: -82.504 bonds (distance) P-C4' energy: -78.150 flat angles C4'-P-C4' energy: -87.493 flat angles P-C4'-P energy: -62.852 tors. eta vs tors. theta energy: -117.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1169.348552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.348552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.348552 (E_RNA) where: Base-Base interactions energy: -761.480 where: short stacking energy: -341.415 Base-Backbone interact. energy: -1.330 local terms energy: -406.537978 where: bonds (distance) C4'-P energy: -85.144 bonds (distance) P-C4' energy: -78.401 flat angles C4'-P-C4' energy: -80.619 flat angles P-C4'-P energy: -56.793 tors. eta vs tors. theta energy: -105.581 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: 2 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1143.195206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.195206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.195206 (E_RNA) where: Base-Base interactions energy: -760.510 where: short stacking energy: -353.977 Base-Backbone interact. energy: -1.722 local terms energy: -380.963071 where: bonds (distance) C4'-P energy: -71.183 bonds (distance) P-C4' energy: -70.198 flat angles C4'-P-C4' energy: -82.173 flat angles P-C4'-P energy: -56.572 tors. eta vs tors. theta energy: -100.836 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: 1 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -958.747445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.747445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.747445 (E_RNA) where: Base-Base interactions energy: -594.190 where: short stacking energy: -292.039 Base-Backbone interact. energy: -0.583 local terms energy: -363.974874 where: bonds (distance) C4'-P energy: -71.860 bonds (distance) P-C4' energy: -72.201 flat angles C4'-P-C4' energy: -86.000 flat angles P-C4'-P energy: -54.702 tors. eta vs tors. theta energy: -79.212 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: 6, replica: 4 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -909.842015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.842015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.842015 (E_RNA) where: Base-Base interactions energy: -573.839 where: short stacking energy: -253.194 Base-Backbone interact. energy: 0.778 local terms energy: -336.781600 where: bonds (distance) C4'-P energy: -68.133 bonds (distance) P-C4' energy: -82.770 flat angles C4'-P-C4' energy: -76.572 flat angles P-C4'-P energy: -52.286 tors. eta vs tors. theta energy: -57.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -663.932179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.932179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.932179 (E_RNA) where: Base-Base interactions energy: -367.439 where: short stacking energy: -199.888 Base-Backbone interact. energy: -1.215 local terms energy: -295.278058 where: bonds (distance) C4'-P energy: -62.237 bonds (distance) P-C4' energy: -69.718 flat angles C4'-P-C4' energy: -71.049 flat angles P-C4'-P energy: -48.967 tors. eta vs tors. theta energy: -43.307 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: 6 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -596.888852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.888852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.888852 (E_RNA) where: Base-Base interactions energy: -323.996 where: short stacking energy: -160.659 Base-Backbone interact. energy: 2.882 local terms energy: -275.774841 where: bonds (distance) C4'-P energy: -58.623 bonds (distance) P-C4' energy: -87.358 flat angles C4'-P-C4' energy: -58.169 flat angles P-C4'-P energy: -44.872 tors. eta vs tors. theta energy: -26.753 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: 216 Temperature: 1.300000 Total energy: -502.243094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.243094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.243094 (E_RNA) where: Base-Base interactions energy: -257.034 where: short stacking energy: -156.915 Base-Backbone interact. energy: -3.654 local terms energy: -241.554935 where: bonds (distance) C4'-P energy: -76.147 bonds (distance) P-C4' energy: -49.933 flat angles C4'-P-C4' energy: -71.488 flat angles P-C4'-P energy: -28.725 tors. eta vs tors. theta energy: -15.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -468.659696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.659696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.659696 (E_RNA) where: Base-Base interactions energy: -236.689 where: short stacking energy: -135.348 Base-Backbone interact. energy: -1.843 local terms energy: -230.127768 where: bonds (distance) C4'-P energy: -54.989 bonds (distance) P-C4' energy: -71.450 flat angles C4'-P-C4' energy: -58.460 flat angles P-C4'-P energy: -34.464 tors. eta vs tors. theta energy: -10.764 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: 1, replica: 10 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1393.243597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.243597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.243597 (E_RNA) where: Base-Base interactions energy: -953.935 where: short stacking energy: -405.168 Base-Backbone interact. energy: -0.074 local terms energy: -439.234095 where: bonds (distance) C4'-P energy: -77.208 bonds (distance) P-C4' energy: -78.056 flat angles C4'-P-C4' energy: -84.679 flat angles P-C4'-P energy: -68.133 tors. eta vs tors. theta energy: -131.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1319.663977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.663977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.663977 (E_RNA) where: Base-Base interactions energy: -886.805 where: short stacking energy: -381.063 Base-Backbone interact. energy: -0.631 local terms energy: -432.227934 where: bonds (distance) C4'-P energy: -84.557 bonds (distance) P-C4' energy: -81.390 flat angles C4'-P-C4' energy: -91.517 flat angles P-C4'-P energy: -59.121 tors. eta vs tors. theta energy: -115.643 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: 217 Temperature: 1.000000 Total energy: -1184.042799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.042799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.042799 (E_RNA) where: Base-Base interactions energy: -782.591 where: short stacking energy: -379.244 Base-Backbone interact. energy: -1.409 local terms energy: -400.043275 where: bonds (distance) C4'-P energy: -62.138 bonds (distance) P-C4' energy: -82.444 flat angles C4'-P-C4' energy: -84.096 flat angles P-C4'-P energy: -50.926 tors. eta vs tors. theta energy: -120.440 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: 2 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1107.726705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.726705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.726705 (E_RNA) where: Base-Base interactions energy: -726.533 where: short stacking energy: -318.181 Base-Backbone interact. energy: -0.571 local terms energy: -380.622741 where: bonds (distance) C4'-P energy: -70.320 bonds (distance) P-C4' energy: -68.778 flat angles C4'-P-C4' energy: -79.595 flat angles P-C4'-P energy: -65.467 tors. eta vs tors. theta energy: -96.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -952.209125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.209125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.209125 (E_RNA) where: Base-Base interactions energy: -620.105 where: short stacking energy: -281.028 Base-Backbone interact. energy: 4.617 local terms energy: -336.721465 where: bonds (distance) C4'-P energy: -71.236 bonds (distance) P-C4' energy: -73.176 flat angles C4'-P-C4' energy: -77.551 flat angles P-C4'-P energy: -48.007 tors. eta vs tors. theta energy: -66.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -938.454077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.454077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.454077 (E_RNA) where: Base-Base interactions energy: -587.712 where: short stacking energy: -256.267 Base-Backbone interact. energy: -1.841 local terms energy: -348.900433 where: bonds (distance) C4'-P energy: -56.484 bonds (distance) P-C4' energy: -84.548 flat angles C4'-P-C4' energy: -78.004 flat angles P-C4'-P energy: -56.720 tors. eta vs tors. theta energy: -73.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -734.996171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.996171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.996171 (E_RNA) where: Base-Base interactions energy: -435.132 where: short stacking energy: -222.181 Base-Backbone interact. energy: 2.386 local terms energy: -302.250581 where: bonds (distance) C4'-P energy: -67.244 bonds (distance) P-C4' energy: -72.335 flat angles C4'-P-C4' energy: -60.842 flat angles P-C4'-P energy: -53.781 tors. eta vs tors. theta energy: -48.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -615.084874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.084874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.084874 (E_RNA) where: Base-Base interactions energy: -341.917 where: short stacking energy: -151.864 Base-Backbone interact. energy: -0.286 local terms energy: -272.882342 where: bonds (distance) C4'-P energy: -61.502 bonds (distance) P-C4' energy: -79.132 flat angles C4'-P-C4' energy: -52.199 flat angles P-C4'-P energy: -52.233 tors. eta vs tors. theta energy: -27.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -470.716314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.716314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.716314 (E_RNA) where: Base-Base interactions energy: -234.495 where: short stacking energy: -137.148 Base-Backbone interact. energy: 2.300 local terms energy: -238.521685 where: bonds (distance) C4'-P energy: -61.774 bonds (distance) P-C4' energy: -68.105 flat angles C4'-P-C4' energy: -61.027 flat angles P-C4'-P energy: -42.808 tors. eta vs tors. theta energy: -4.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -480.559720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.559720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.559720 (E_RNA) where: Base-Base interactions energy: -232.541 where: short stacking energy: -149.696 Base-Backbone interact. energy: 1.147 local terms energy: -249.165746 where: bonds (distance) C4'-P energy: -71.819 bonds (distance) P-C4' energy: -65.211 flat angles C4'-P-C4' energy: -52.729 flat angles P-C4'-P energy: -53.252 tors. eta vs tors. theta energy: -6.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1380.480012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.480012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.480012 (E_RNA) where: Base-Base interactions energy: -942.943 where: short stacking energy: -407.388 Base-Backbone interact. energy: -0.814 local terms energy: -436.723172 where: bonds (distance) C4'-P energy: -78.240 bonds (distance) P-C4' energy: -81.166 flat angles C4'-P-C4' energy: -100.173 flat angles P-C4'-P energy: -55.006 tors. eta vs tors. theta energy: -122.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1302.227008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.227008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.227008 (E_RNA) where: Base-Base interactions energy: -888.562 where: short stacking energy: -373.876 Base-Backbone interact. energy: -0.108 local terms energy: -413.557265 where: bonds (distance) C4'-P energy: -78.366 bonds (distance) P-C4' energy: -75.251 flat angles C4'-P-C4' energy: -93.631 flat angles P-C4'-P energy: -53.740 tors. eta vs tors. theta energy: -112.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1202.997099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.997099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.997099 (E_RNA) where: Base-Base interactions energy: -801.736 where: short stacking energy: -383.735 Base-Backbone interact. energy: -2.668 local terms energy: -398.592710 where: bonds (distance) C4'-P energy: -65.721 bonds (distance) P-C4' energy: -78.515 flat angles C4'-P-C4' energy: -86.901 flat angles P-C4'-P energy: -52.988 tors. eta vs tors. theta energy: -114.468 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: 4, replica: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1089.668553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.668553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.668553 (E_RNA) where: Base-Base interactions energy: -723.474 where: short stacking energy: -348.261 Base-Backbone interact. energy: -1.436 local terms energy: -364.758534 where: bonds (distance) C4'-P energy: -62.762 bonds (distance) P-C4' energy: -69.989 flat angles C4'-P-C4' energy: -83.050 flat angles P-C4'-P energy: -52.942 tors. eta vs tors. theta energy: -96.015 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: 218 Temperature: 1.100000 Total energy: -987.835916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.835916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.835916 (E_RNA) where: Base-Base interactions energy: -656.005 where: short stacking energy: -303.407 Base-Backbone interact. energy: -1.130 local terms energy: -330.701039 where: bonds (distance) C4'-P energy: -58.338 bonds (distance) P-C4' energy: -75.467 flat angles C4'-P-C4' energy: -80.935 flat angles P-C4'-P energy: -39.899 tors. eta vs tors. theta energy: -76.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -936.581099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.581099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.581099 (E_RNA) where: Base-Base interactions energy: -611.153 where: short stacking energy: -276.525 Base-Backbone interact. energy: 4.552 local terms energy: -329.979892 where: bonds (distance) C4'-P energy: -63.080 bonds (distance) P-C4' energy: -65.872 flat angles C4'-P-C4' energy: -82.881 flat angles P-C4'-P energy: -41.734 tors. eta vs tors. theta energy: -76.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -727.326782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.326782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.326782 (E_RNA) where: Base-Base interactions energy: -429.133 where: short stacking energy: -221.666 Base-Backbone interact. energy: 3.018 local terms energy: -301.211499 where: bonds (distance) C4'-P energy: -68.168 bonds (distance) P-C4' energy: -81.607 flat angles C4'-P-C4' energy: -58.496 flat angles P-C4'-P energy: -46.119 tors. eta vs tors. theta energy: -46.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -636.372444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.372444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.372444 (E_RNA) where: Base-Base interactions energy: -351.599 where: short stacking energy: -196.679 Base-Backbone interact. energy: -1.834 local terms energy: -282.940143 where: bonds (distance) C4'-P energy: -60.852 bonds (distance) P-C4' energy: -78.222 flat angles C4'-P-C4' energy: -66.005 flat angles P-C4'-P energy: -36.548 tors. eta vs tors. theta energy: -41.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -505.966811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.966811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.966811 (E_RNA) where: Base-Base interactions energy: -253.684 where: short stacking energy: -152.758 Base-Backbone interact. energy: 5.700 local terms energy: -257.983099 where: bonds (distance) C4'-P energy: -62.197 bonds (distance) P-C4' energy: -81.015 flat angles C4'-P-C4' energy: -55.716 flat angles P-C4'-P energy: -46.619 tors. eta vs tors. theta energy: -12.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -452.277827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.277827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.277827 (E_RNA) where: Base-Base interactions energy: -190.767 where: short stacking energy: -116.738 Base-Backbone interact. energy: -0.399 local terms energy: -261.112501 where: bonds (distance) C4'-P energy: -74.560 bonds (distance) P-C4' energy: -66.540 flat angles C4'-P-C4' energy: -52.922 flat angles P-C4'-P energy: -42.782 tors. eta vs tors. theta energy: -24.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1388.109666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.109666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.109666 (E_RNA) where: Base-Base interactions energy: -943.086 where: short stacking energy: -426.506 Base-Backbone interact. energy: -1.662 local terms energy: -443.361061 where: bonds (distance) C4'-P energy: -77.016 bonds (distance) P-C4' energy: -82.634 flat angles C4'-P-C4' energy: -91.901 flat angles P-C4'-P energy: -64.283 tors. eta vs tors. theta energy: -127.527 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: 2, replica: 7 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1331.685172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.685172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.685172 (E_RNA) where: Base-Base interactions energy: -899.163 where: short stacking energy: -389.249 Base-Backbone interact. energy: -4.429 local terms energy: -428.093046 where: bonds (distance) C4'-P energy: -62.959 bonds (distance) P-C4' energy: -87.841 flat angles C4'-P-C4' energy: -96.073 flat angles P-C4'-P energy: -65.154 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: 3, replica: 9 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1201.763805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.763805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.763805 (E_RNA) where: Base-Base interactions energy: -783.444 where: short stacking energy: -359.534 Base-Backbone interact. energy: -0.028 local terms energy: -418.291472 where: bonds (distance) C4'-P energy: -74.971 bonds (distance) P-C4' energy: -74.564 flat angles C4'-P-C4' energy: -95.310 flat angles P-C4'-P energy: -66.923 tors. eta vs tors. theta energy: -106.523 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: 2 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1104.336810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.336810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.336810 (E_RNA) where: Base-Base interactions energy: -742.693 where: short stacking energy: -345.231 Base-Backbone interact. energy: -0.212 local terms energy: -361.432207 where: bonds (distance) C4'-P energy: -72.414 bonds (distance) P-C4' energy: -80.317 flat angles C4'-P-C4' energy: -74.906 flat angles P-C4'-P energy: -48.480 tors. eta vs tors. theta energy: -85.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1028.365999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.365999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.365999 (E_RNA) where: Base-Base interactions energy: -650.759 where: short stacking energy: -312.944 Base-Backbone interact. energy: -0.058 local terms energy: -377.549055 where: bonds (distance) C4'-P energy: -71.425 bonds (distance) P-C4' energy: -70.261 flat angles C4'-P-C4' energy: -73.242 flat angles P-C4'-P energy: -62.735 tors. eta vs tors. theta energy: -99.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -875.757646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.757646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.757646 (E_RNA) where: Base-Base interactions energy: -566.290 where: short stacking energy: -250.013 Base-Backbone interact. energy: -3.203 local terms energy: -306.264823 where: bonds (distance) C4'-P energy: -68.564 bonds (distance) P-C4' energy: -73.063 flat angles C4'-P-C4' energy: -73.992 flat angles P-C4'-P energy: -36.183 tors. eta vs tors. theta energy: -54.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -702.798830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.798830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.798830 (E_RNA) where: Base-Base interactions energy: -432.924 where: short stacking energy: -214.448 Base-Backbone interact. energy: -0.010 local terms energy: -269.865566 where: bonds (distance) C4'-P energy: -56.702 bonds (distance) P-C4' energy: -76.476 flat angles C4'-P-C4' energy: -72.859 flat angles P-C4'-P energy: -34.828 tors. eta vs tors. theta energy: -29.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -619.379537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.379537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.379537 (E_RNA) where: Base-Base interactions energy: -354.766 where: short stacking energy: -177.269 Base-Backbone interact. energy: -0.613 local terms energy: -263.999750 where: bonds (distance) C4'-P energy: -66.416 bonds (distance) P-C4' energy: -68.319 flat angles C4'-P-C4' energy: -69.963 flat angles P-C4'-P energy: -32.612 tors. eta vs tors. theta energy: -26.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -509.291930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.291930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.291930 (E_RNA) where: Base-Base interactions energy: -237.737 where: short stacking energy: -148.157 Base-Backbone interact. energy: -1.826 local terms energy: -269.728964 where: bonds (distance) C4'-P energy: -75.135 bonds (distance) P-C4' energy: -78.734 flat angles C4'-P-C4' energy: -55.596 flat angles P-C4'-P energy: -51.350 tors. eta vs tors. theta energy: -8.915 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: 5 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -418.791750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.791750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.791750 (E_RNA) where: Base-Base interactions energy: -221.766 where: short stacking energy: -147.758 Base-Backbone interact. energy: -0.063 local terms energy: -196.963264 where: bonds (distance) C4'-P energy: -63.607 bonds (distance) P-C4' energy: -69.007 flat angles C4'-P-C4' energy: -40.260 flat angles P-C4'-P energy: -24.263 tors. eta vs tors. theta energy: 0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1351.318233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.318233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.318233 (E_RNA) where: Base-Base interactions energy: -917.762 where: short stacking energy: -425.447 Base-Backbone interact. energy: -0.472 local terms energy: -433.084823 where: bonds (distance) C4'-P energy: -76.896 bonds (distance) P-C4' energy: -70.794 flat angles C4'-P-C4' energy: -87.749 flat angles P-C4'-P energy: -59.765 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: 2, replica: 7 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1333.140859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.140859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.140859 (E_RNA) where: Base-Base interactions energy: -901.263 where: short stacking energy: -371.756 Base-Backbone interact. energy: -1.065 local terms energy: -430.812286 where: bonds (distance) C4'-P energy: -76.852 bonds (distance) P-C4' energy: -82.099 flat angles C4'-P-C4' energy: -97.184 flat angles P-C4'-P energy: -50.334 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: 3, replica: 9 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1222.177544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.177544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.177544 (E_RNA) where: Base-Base interactions energy: -820.197 where: short stacking energy: -403.495 Base-Backbone interact. energy: -0.318 local terms energy: -401.662244 where: bonds (distance) C4'-P energy: -63.658 bonds (distance) P-C4' energy: -73.824 flat angles C4'-P-C4' energy: -89.969 flat angles P-C4'-P energy: -55.171 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: 4, replica: 2 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1078.107546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.107546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.107546 (E_RNA) where: Base-Base interactions energy: -717.603 where: short stacking energy: -321.443 Base-Backbone interact. energy: 0.195 local terms energy: -360.699646 where: bonds (distance) C4'-P energy: -71.310 bonds (distance) P-C4' energy: -75.484 flat angles C4'-P-C4' energy: -80.629 flat angles P-C4'-P energy: -47.942 tors. eta vs tors. theta energy: -85.335 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: 4 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1039.973709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.973709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.973709 (E_RNA) where: Base-Base interactions energy: -698.643 where: short stacking energy: -323.708 Base-Backbone interact. energy: -1.903 local terms energy: -339.427705 where: bonds (distance) C4'-P energy: -73.416 bonds (distance) P-C4' energy: -61.927 flat angles C4'-P-C4' energy: -74.555 flat angles P-C4'-P energy: -37.496 tors. eta vs tors. theta energy: -92.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -935.391486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.391486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.391486 (E_RNA) where: Base-Base interactions energy: -635.157 where: short stacking energy: -265.405 Base-Backbone interact. energy: 1.386 local terms energy: -301.620450 where: bonds (distance) C4'-P energy: -57.247 bonds (distance) P-C4' energy: -74.402 flat angles C4'-P-C4' energy: -75.864 flat angles P-C4'-P energy: -34.484 tors. eta vs tors. theta energy: -59.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -698.771047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.771047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.771047 (E_RNA) where: Base-Base interactions energy: -417.600 where: short stacking energy: -221.373 Base-Backbone interact. energy: 3.924 local terms energy: -285.094765 where: bonds (distance) C4'-P energy: -60.935 bonds (distance) P-C4' energy: -80.900 flat angles C4'-P-C4' energy: -58.404 flat angles P-C4'-P energy: -48.162 tors. eta vs tors. theta energy: -36.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -639.802309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.802309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.802309 (E_RNA) where: Base-Base interactions energy: -354.947 where: short stacking energy: -193.892 Base-Backbone interact. energy: -1.299 local terms energy: -283.556374 where: bonds (distance) C4'-P energy: -67.859 bonds (distance) P-C4' energy: -76.379 flat angles C4'-P-C4' energy: -68.461 flat angles P-C4'-P energy: -44.926 tors. eta vs tors. theta energy: -25.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -476.580738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.580738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.580738 (E_RNA) where: Base-Base interactions energy: -254.437 where: short stacking energy: -145.356 Base-Backbone interact. energy: 3.451 local terms energy: -225.594775 where: bonds (distance) C4'-P energy: -52.710 bonds (distance) P-C4' energy: -73.416 flat angles C4'-P-C4' energy: -62.138 flat angles P-C4'-P energy: -36.612 tors. eta vs tors. theta energy: -0.719 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: 5 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -490.056815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.056815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.056815 (E_RNA) where: Base-Base interactions energy: -252.493 where: short stacking energy: -154.022 Base-Backbone interact. energy: 1.832 local terms energy: -239.396174 where: bonds (distance) C4'-P energy: -66.834 bonds (distance) P-C4' energy: -65.989 flat angles C4'-P-C4' energy: -65.666 flat angles P-C4'-P energy: -40.007 tors. eta vs tors. theta energy: -0.901 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: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1371.936372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.936372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.936372 (E_RNA) where: Base-Base interactions energy: -942.198 where: short stacking energy: -433.125 Base-Backbone interact. energy: -0.592 local terms energy: -429.146515 where: bonds (distance) C4'-P energy: -83.508 bonds (distance) P-C4' energy: -75.011 flat angles C4'-P-C4' energy: -82.130 flat angles P-C4'-P energy: -59.792 tors. eta vs tors. theta energy: -128.706 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: 221 Temperature: 0.950000 Total energy: -1308.973199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.973199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.973199 (E_RNA) where: Base-Base interactions energy: -896.409 where: short stacking energy: -389.879 Base-Backbone interact. energy: -2.833 local terms energy: -409.731254 where: bonds (distance) C4'-P energy: -77.704 bonds (distance) P-C4' energy: -85.573 flat angles C4'-P-C4' energy: -86.301 flat angles P-C4'-P energy: -42.414 tors. eta vs tors. theta energy: -117.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1227.960149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.960149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.960149 (E_RNA) where: Base-Base interactions energy: -811.582 where: short stacking energy: -401.278 Base-Backbone interact. energy: -1.709 local terms energy: -414.669106 where: bonds (distance) C4'-P energy: -82.669 bonds (distance) P-C4' energy: -79.764 flat angles C4'-P-C4' energy: -86.597 flat angles P-C4'-P energy: -52.196 tors. eta vs tors. theta energy: -113.443 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: 2 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1136.211503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.211503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.211503 (E_RNA) where: Base-Base interactions energy: -758.249 where: short stacking energy: -359.729 Base-Backbone interact. energy: -2.082 local terms energy: -375.880449 where: bonds (distance) C4'-P energy: -66.856 bonds (distance) P-C4' energy: -64.394 flat angles C4'-P-C4' energy: -89.070 flat angles P-C4'-P energy: -53.942 tors. eta vs tors. theta energy: -101.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1047.796886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.796886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.796886 (E_RNA) where: Base-Base interactions energy: -701.302 where: short stacking energy: -326.143 Base-Backbone interact. energy: -0.921 local terms energy: -345.573800 where: bonds (distance) C4'-P energy: -67.289 bonds (distance) P-C4' energy: -63.113 flat angles C4'-P-C4' energy: -65.884 flat angles P-C4'-P energy: -56.198 tors. eta vs tors. theta energy: -93.090 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: 1 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -944.989828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.989828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.989828 (E_RNA) where: Base-Base interactions energy: -622.047 where: short stacking energy: -263.940 Base-Backbone interact. energy: -3.213 local terms energy: -319.729501 where: bonds (distance) C4'-P energy: -67.848 bonds (distance) P-C4' energy: -69.420 flat angles C4'-P-C4' energy: -83.288 flat angles P-C4'-P energy: -43.001 tors. eta vs tors. theta energy: -56.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -709.975770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.975770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.975770 (E_RNA) where: Base-Base interactions energy: -409.254 where: short stacking energy: -217.490 Base-Backbone interact. energy: -0.015 local terms energy: -300.706845 where: bonds (distance) C4'-P energy: -81.075 bonds (distance) P-C4' energy: -71.971 flat angles C4'-P-C4' energy: -64.723 flat angles P-C4'-P energy: -42.978 tors. eta vs tors. theta energy: -39.959 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: 6 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -637.369759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.369759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.369759 (E_RNA) where: Base-Base interactions energy: -338.533 where: short stacking energy: -181.266 Base-Backbone interact. energy: 0.572 local terms energy: -299.408675 where: bonds (distance) C4'-P energy: -68.013 bonds (distance) P-C4' energy: -76.334 flat angles C4'-P-C4' energy: -72.107 flat angles P-C4'-P energy: -41.695 tors. eta vs tors. theta energy: -41.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -489.997287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.997287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.997287 (E_RNA) where: Base-Base interactions energy: -231.197 where: short stacking energy: -133.341 Base-Backbone interact. energy: -1.172 local terms energy: -257.628126 where: bonds (distance) C4'-P energy: -69.597 bonds (distance) P-C4' energy: -71.883 flat angles C4'-P-C4' energy: -65.279 flat angles P-C4'-P energy: -32.642 tors. eta vs tors. theta energy: -18.227 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: 5 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -403.806595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.806595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.806595 (E_RNA) where: Base-Base interactions energy: -201.193 where: short stacking energy: -134.342 Base-Backbone interact. energy: -2.001 local terms energy: -200.612652 where: bonds (distance) C4'-P energy: -48.922 bonds (distance) P-C4' energy: -71.822 flat angles C4'-P-C4' energy: -40.560 flat angles P-C4'-P energy: -35.544 tors. eta vs tors. theta energy: -3.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1357.631737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.631737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.631737 (E_RNA) where: Base-Base interactions energy: -921.192 where: short stacking energy: -425.753 Base-Backbone interact. energy: -0.342 local terms energy: -436.097093 where: bonds (distance) C4'-P energy: -83.450 bonds (distance) P-C4' energy: -67.939 flat angles C4'-P-C4' energy: -92.799 flat angles P-C4'-P energy: -61.468 tors. eta vs tors. theta energy: -130.442 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: 7 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1321.213906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.213906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.213906 (E_RNA) where: Base-Base interactions energy: -902.962 where: short stacking energy: -379.586 Base-Backbone interact. energy: -3.614 local terms energy: -414.637410 where: bonds (distance) C4'-P energy: -74.680 bonds (distance) P-C4' energy: -80.082 flat angles C4'-P-C4' energy: -91.381 flat angles P-C4'-P energy: -59.179 tors. eta vs tors. theta energy: -109.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1204.084473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.084473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.084473 (E_RNA) where: Base-Base interactions energy: -809.729 where: short stacking energy: -376.297 Base-Backbone interact. energy: -1.189 local terms energy: -393.166179 where: bonds (distance) C4'-P energy: -68.563 bonds (distance) P-C4' energy: -81.757 flat angles C4'-P-C4' energy: -82.262 flat angles P-C4'-P energy: -50.679 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: 4, replica: 2 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1127.109464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.109464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.109464 (E_RNA) where: Base-Base interactions energy: -761.046 where: short stacking energy: -342.943 Base-Backbone interact. energy: -0.586 local terms energy: -365.476955 where: bonds (distance) C4'-P energy: -61.105 bonds (distance) P-C4' energy: -73.664 flat angles C4'-P-C4' energy: -71.308 flat angles P-C4'-P energy: -53.705 tors. eta vs tors. theta energy: -105.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1018.224083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.224083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.224083 (E_RNA) where: Base-Base interactions energy: -660.405 where: short stacking energy: -286.915 Base-Backbone interact. energy: -1.550 local terms energy: -356.269546 where: bonds (distance) C4'-P energy: -66.149 bonds (distance) P-C4' energy: -81.907 flat angles C4'-P-C4' energy: -90.122 flat angles P-C4'-P energy: -45.492 tors. eta vs tors. theta energy: -72.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -915.554986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.554986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.554986 (E_RNA) where: Base-Base interactions energy: -608.908 where: short stacking energy: -265.516 Base-Backbone interact. energy: -0.952 local terms energy: -305.694442 where: bonds (distance) C4'-P energy: -69.339 bonds (distance) P-C4' energy: -71.079 flat angles C4'-P-C4' energy: -74.652 flat angles P-C4'-P energy: -38.847 tors. eta vs tors. theta energy: -51.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -718.789486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.789486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.789486 (E_RNA) where: Base-Base interactions energy: -440.306 where: short stacking energy: -225.386 Base-Backbone interact. energy: -0.294 local terms energy: -278.189501 where: bonds (distance) C4'-P energy: -68.553 bonds (distance) P-C4' energy: -68.276 flat angles C4'-P-C4' energy: -64.021 flat angles P-C4'-P energy: -31.298 tors. eta vs tors. theta energy: -46.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -599.097102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.097102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.097102 (E_RNA) where: Base-Base interactions energy: -349.786 where: short stacking energy: -168.020 Base-Backbone interact. energy: -0.093 local terms energy: -249.218177 where: bonds (distance) C4'-P energy: -56.499 bonds (distance) P-C4' energy: -71.974 flat angles C4'-P-C4' energy: -58.422 flat angles P-C4'-P energy: -38.486 tors. eta vs tors. theta energy: -23.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -430.651312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.651312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.651312 (E_RNA) where: Base-Base interactions energy: -193.585 where: short stacking energy: -108.489 Base-Backbone interact. energy: 2.989 local terms energy: -240.055007 where: bonds (distance) C4'-P energy: -75.059 bonds (distance) P-C4' energy: -79.677 flat angles C4'-P-C4' energy: -56.334 flat angles P-C4'-P energy: -35.743 tors. eta vs tors. theta energy: 6.758 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: 10, replica: 8 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -485.967933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.967933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.967933 (E_RNA) where: Base-Base interactions energy: -264.089 where: short stacking energy: -150.556 Base-Backbone interact. energy: -3.755 local terms energy: -218.124241 where: bonds (distance) C4'-P energy: -56.347 bonds (distance) P-C4' energy: -59.485 flat angles C4'-P-C4' energy: -47.027 flat angles P-C4'-P energy: -31.084 tors. eta vs tors. theta energy: -24.182 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: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1369.575183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.575183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.575183 (E_RNA) where: Base-Base interactions energy: -925.550 where: short stacking energy: -438.457 Base-Backbone interact. energy: -1.419 local terms energy: -442.606046 where: bonds (distance) C4'-P energy: -70.263 bonds (distance) P-C4' energy: -83.891 flat angles C4'-P-C4' energy: -94.153 flat angles P-C4'-P energy: -58.165 tors. eta vs tors. theta energy: -136.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1304.672021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.672021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.672021 (E_RNA) where: Base-Base interactions energy: -900.719 where: short stacking energy: -397.648 Base-Backbone interact. energy: -1.228 local terms energy: -402.725545 where: bonds (distance) C4'-P energy: -70.371 bonds (distance) P-C4' energy: -72.180 flat angles C4'-P-C4' energy: -79.998 flat angles P-C4'-P energy: -62.215 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: 3, replica: 9 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1193.825537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.825537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.825537 (E_RNA) where: Base-Base interactions energy: -797.778 where: short stacking energy: -384.549 Base-Backbone interact. energy: -0.731 local terms energy: -395.316077 where: bonds (distance) C4'-P energy: -72.198 bonds (distance) P-C4' energy: -76.613 flat angles C4'-P-C4' energy: -74.608 flat angles P-C4'-P energy: -55.143 tors. eta vs tors. theta energy: -116.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1140.777600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.777600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.777600 (E_RNA) where: Base-Base interactions energy: -754.907 where: short stacking energy: -337.938 Base-Backbone interact. energy: -1.216 local terms energy: -384.654208 where: bonds (distance) C4'-P energy: -71.961 bonds (distance) P-C4' energy: -75.834 flat angles C4'-P-C4' energy: -87.414 flat angles P-C4'-P energy: -52.302 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: 5, replica: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1000.726099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.726099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.726099 (E_RNA) where: Base-Base interactions energy: -654.166 where: short stacking energy: -289.599 Base-Backbone interact. energy: -1.570 local terms energy: -344.990453 where: bonds (distance) C4'-P energy: -69.583 bonds (distance) P-C4' energy: -78.992 flat angles C4'-P-C4' energy: -71.531 flat angles P-C4'-P energy: -43.336 tors. eta vs tors. theta energy: -81.548 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: 1 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -939.988107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.988107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.988107 (E_RNA) where: Base-Base interactions energy: -593.589 where: short stacking energy: -269.376 Base-Backbone interact. energy: -0.476 local terms energy: -345.923370 where: bonds (distance) C4'-P energy: -71.960 bonds (distance) P-C4' energy: -68.676 flat angles C4'-P-C4' energy: -85.620 flat angles P-C4'-P energy: -54.337 tors. eta vs tors. theta energy: -65.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -725.044451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.044451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.044451 (E_RNA) where: Base-Base interactions energy: -430.407 where: short stacking energy: -235.355 Base-Backbone interact. energy: 4.158 local terms energy: -298.795089 where: bonds (distance) C4'-P energy: -59.486 bonds (distance) P-C4' energy: -78.019 flat angles C4'-P-C4' energy: -72.625 flat angles P-C4'-P energy: -44.946 tors. eta vs tors. theta energy: -43.720 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: 8, replica: 6 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -626.130706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.130706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.130706 (E_RNA) where: Base-Base interactions energy: -353.650 where: short stacking energy: -175.924 Base-Backbone interact. energy: 0.930 local terms energy: -273.411297 where: bonds (distance) C4'-P energy: -69.362 bonds (distance) P-C4' energy: -67.934 flat angles C4'-P-C4' energy: -66.817 flat angles P-C4'-P energy: -43.948 tors. eta vs tors. theta energy: -25.350 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: 5 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -456.666955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.666955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.666955 (E_RNA) where: Base-Base interactions energy: -213.468 where: short stacking energy: -128.318 Base-Backbone interact. energy: 2.748 local terms energy: -245.946577 where: bonds (distance) C4'-P energy: -64.738 bonds (distance) P-C4' energy: -66.742 flat angles C4'-P-C4' energy: -66.162 flat angles P-C4'-P energy: -44.092 tors. eta vs tors. theta energy: -4.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -471.284850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.284850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.284850 (E_RNA) where: Base-Base interactions energy: -250.069 where: short stacking energy: -147.113 Base-Backbone interact. energy: -1.981 local terms energy: -219.235532 where: bonds (distance) C4'-P energy: -57.191 bonds (distance) P-C4' energy: -67.193 flat angles C4'-P-C4' energy: -55.135 flat angles P-C4'-P energy: -21.010 tors. eta vs tors. theta energy: -18.706 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: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1378.667293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.667293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.667293 (E_RNA) where: Base-Base interactions energy: -950.703 where: short stacking energy: -427.081 Base-Backbone interact. energy: 0.803 local terms energy: -428.767710 where: bonds (distance) C4'-P energy: -76.879 bonds (distance) P-C4' energy: -83.740 flat angles C4'-P-C4' energy: -82.140 flat angles P-C4'-P energy: -53.861 tors. eta vs tors. theta energy: -132.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1308.922968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.922968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.922968 (E_RNA) where: Base-Base interactions energy: -886.681 where: short stacking energy: -377.565 Base-Backbone interact. energy: -3.063 local terms energy: -419.179660 where: bonds (distance) C4'-P energy: -83.984 bonds (distance) P-C4' energy: -82.007 flat angles C4'-P-C4' energy: -89.323 flat angles P-C4'-P energy: -47.563 tors. eta vs tors. theta energy: -116.303 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: 2 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1188.723534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.723534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.723534 (E_RNA) where: Base-Base interactions energy: -785.651 where: short stacking energy: -362.085 Base-Backbone interact. energy: -1.993 local terms energy: -401.079203 where: bonds (distance) C4'-P energy: -74.373 bonds (distance) P-C4' energy: -76.724 flat angles C4'-P-C4' energy: -90.950 flat angles P-C4'-P energy: -55.843 tors. eta vs tors. theta energy: -103.188 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: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1165.534794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.534794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.534794 (E_RNA) where: Base-Base interactions energy: -770.108 where: short stacking energy: -366.546 Base-Backbone interact. energy: -1.867 local terms energy: -393.559251 where: bonds (distance) C4'-P energy: -76.560 bonds (distance) P-C4' energy: -86.148 flat angles C4'-P-C4' energy: -82.777 flat angles P-C4'-P energy: -47.729 tors. eta vs tors. theta energy: -100.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1004.514992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.514992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.514992 (E_RNA) where: Base-Base interactions energy: -648.492 where: short stacking energy: -280.628 Base-Backbone interact. energy: -0.413 local terms energy: -355.609223 where: bonds (distance) C4'-P energy: -67.035 bonds (distance) P-C4' energy: -77.700 flat angles C4'-P-C4' energy: -83.318 flat angles P-C4'-P energy: -47.913 tors. eta vs tors. theta energy: -79.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -936.297350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.297350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.297350 (E_RNA) where: Base-Base interactions energy: -590.576 where: short stacking energy: -297.784 Base-Backbone interact. energy: 0.497 local terms energy: -346.218638 where: bonds (distance) C4'-P energy: -63.975 bonds (distance) P-C4' energy: -74.342 flat angles C4'-P-C4' energy: -79.117 flat angles P-C4'-P energy: -58.107 tors. eta vs tors. theta energy: -70.677 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: 3 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -751.266797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.266797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.266797 (E_RNA) where: Base-Base interactions energy: -438.571 where: short stacking energy: -224.693 Base-Backbone interact. energy: -0.405 local terms energy: -312.291165 where: bonds (distance) C4'-P energy: -73.616 bonds (distance) P-C4' energy: -78.301 flat angles C4'-P-C4' energy: -62.087 flat angles P-C4'-P energy: -40.729 tors. eta vs tors. theta energy: -57.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -630.795444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.795444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.795444 (E_RNA) where: Base-Base interactions energy: -373.303 where: short stacking energy: -193.615 Base-Backbone interact. energy: 4.255 local terms energy: -261.747228 where: bonds (distance) C4'-P energy: -64.856 bonds (distance) P-C4' energy: -73.415 flat angles C4'-P-C4' energy: -57.980 flat angles P-C4'-P energy: -39.551 tors. eta vs tors. theta energy: -25.945 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: 5 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -557.624390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.624390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.624390 (E_RNA) where: Base-Base interactions energy: -299.401 where: short stacking energy: -168.281 Base-Backbone interact. energy: -1.321 local terms energy: -256.902435 where: bonds (distance) C4'-P energy: -55.926 bonds (distance) P-C4' energy: -70.735 flat angles C4'-P-C4' energy: -65.345 flat angles P-C4'-P energy: -38.195 tors. eta vs tors. theta energy: -26.700 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: 224 Temperature: 1.350000 Total energy: -468.341609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.341609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.341609 (E_RNA) where: Base-Base interactions energy: -239.823 where: short stacking energy: -151.809 Base-Backbone interact. energy: 1.583 local terms energy: -230.101939 where: bonds (distance) C4'-P energy: -70.737 bonds (distance) P-C4' energy: -66.874 flat angles C4'-P-C4' energy: -56.465 flat angles P-C4'-P energy: -29.875 tors. eta vs tors. theta energy: -6.151 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: 10 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1366.128223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.128223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.128223 (E_RNA) where: Base-Base interactions energy: -919.529 where: short stacking energy: -419.659 Base-Backbone interact. energy: -0.715 local terms energy: -445.884166 where: bonds (distance) C4'-P energy: -83.597 bonds (distance) P-C4' energy: -86.364 flat angles C4'-P-C4' energy: -89.674 flat angles P-C4'-P energy: -61.483 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: 2, replica: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1299.833495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.833495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.833495 (E_RNA) where: Base-Base interactions energy: -886.946 where: short stacking energy: -378.051 Base-Backbone interact. energy: -0.240 local terms energy: -412.647174 where: bonds (distance) C4'-P energy: -76.179 bonds (distance) P-C4' energy: -87.832 flat angles C4'-P-C4' energy: -90.206 flat angles P-C4'-P energy: -52.033 tors. eta vs tors. theta energy: -106.397 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: 2 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1164.406649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.406649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.406649 (E_RNA) where: Base-Base interactions energy: -777.718 where: short stacking energy: -346.466 Base-Backbone interact. energy: 0.480 local terms energy: -387.168471 where: bonds (distance) C4'-P energy: -79.508 bonds (distance) P-C4' energy: -63.810 flat angles C4'-P-C4' energy: -80.001 flat angles P-C4'-P energy: -63.207 tors. eta vs tors. theta energy: -100.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1141.929662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.929662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.929662 (E_RNA) where: Base-Base interactions energy: -762.961 where: short stacking energy: -335.039 Base-Backbone interact. energy: -1.989 local terms energy: -376.979969 where: bonds (distance) C4'-P energy: -69.376 bonds (distance) P-C4' energy: -77.939 flat angles C4'-P-C4' energy: -76.756 flat angles P-C4'-P energy: -55.030 tors. eta vs tors. theta energy: -97.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -974.001653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.001653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.001653 (E_RNA) where: Base-Base interactions energy: -634.539 where: short stacking energy: -287.168 Base-Backbone interact. energy: 0.246 local terms energy: -339.709168 where: bonds (distance) C4'-P energy: -72.730 bonds (distance) P-C4' energy: -75.176 flat angles C4'-P-C4' energy: -75.403 flat angles P-C4'-P energy: -50.479 tors. eta vs tors. theta energy: -65.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -879.120686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.120686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.120686 (E_RNA) where: Base-Base interactions energy: -542.492 where: short stacking energy: -242.268 Base-Backbone interact. energy: 1.370 local terms energy: -337.999111 where: bonds (distance) C4'-P energy: -84.990 bonds (distance) P-C4' energy: -76.889 flat angles C4'-P-C4' energy: -75.068 flat angles P-C4'-P energy: -54.779 tors. eta vs tors. theta energy: -46.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -748.821773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.821773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.821773 (E_RNA) where: Base-Base interactions energy: -463.294 where: short stacking energy: -229.835 Base-Backbone interact. energy: 1.034 local terms energy: -286.561592 where: bonds (distance) C4'-P energy: -71.563 bonds (distance) P-C4' energy: -66.260 flat angles C4'-P-C4' energy: -63.674 flat angles P-C4'-P energy: -44.812 tors. eta vs tors. theta energy: -40.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -623.046243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.046243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.046243 (E_RNA) where: Base-Base interactions energy: -341.622 where: short stacking energy: -173.575 Base-Backbone interact. energy: 1.876 local terms energy: -283.300175 where: bonds (distance) C4'-P energy: -79.474 bonds (distance) P-C4' energy: -65.574 flat angles C4'-P-C4' energy: -73.349 flat angles P-C4'-P energy: -43.655 tors. eta vs tors. theta energy: -21.248 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: 5 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -529.885287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.885287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.885287 (E_RNA) where: Base-Base interactions energy: -253.688 where: short stacking energy: -147.807 Base-Backbone interact. energy: -1.558 local terms energy: -274.639607 where: bonds (distance) C4'-P energy: -71.235 bonds (distance) P-C4' energy: -76.140 flat angles C4'-P-C4' energy: -66.861 flat angles P-C4'-P energy: -37.244 tors. eta vs tors. theta energy: -23.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -434.914192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.914192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.914192 (E_RNA) where: Base-Base interactions energy: -216.156 where: short stacking energy: -132.577 Base-Backbone interact. energy: -2.522 local terms energy: -216.235644 where: bonds (distance) C4'-P energy: -52.559 bonds (distance) P-C4' energy: -70.911 flat angles C4'-P-C4' energy: -57.098 flat angles P-C4'-P energy: -37.010 tors. eta vs tors. theta energy: 1.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1369.579386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.579386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.579386 (E_RNA) where: Base-Base interactions energy: -924.505 where: short stacking energy: -438.818 Base-Backbone interact. energy: 0.876 local terms energy: -445.950343 where: bonds (distance) C4'-P energy: -80.816 bonds (distance) P-C4' energy: -79.313 flat angles C4'-P-C4' energy: -92.729 flat angles P-C4'-P energy: -62.126 tors. eta vs tors. theta energy: -130.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1295.005009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.005009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.005009 (E_RNA) where: Base-Base interactions energy: -882.873 where: short stacking energy: -373.882 Base-Backbone interact. energy: -1.171 local terms energy: -410.961239 where: bonds (distance) C4'-P energy: -72.410 bonds (distance) P-C4' energy: -77.520 flat angles C4'-P-C4' energy: -85.837 flat angles P-C4'-P energy: -59.917 tors. eta vs tors. theta energy: -115.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1166.892948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.892948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.892948 (E_RNA) where: Base-Base interactions energy: -761.780 where: short stacking energy: -362.537 Base-Backbone interact. energy: -2.161 local terms energy: -402.952009 where: bonds (distance) C4'-P energy: -84.600 bonds (distance) P-C4' energy: -67.854 flat angles C4'-P-C4' energy: -85.697 flat angles P-C4'-P energy: -60.361 tors. eta vs tors. theta energy: -104.440 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: 2 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1145.563445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.563445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.563445 (E_RNA) where: Base-Base interactions energy: -774.981 where: short stacking energy: -344.055 Base-Backbone interact. energy: -1.699 local terms energy: -368.882803 where: bonds (distance) C4'-P energy: -82.361 bonds (distance) P-C4' energy: -71.192 flat angles C4'-P-C4' energy: -73.005 flat angles P-C4'-P energy: -46.369 tors. eta vs tors. theta energy: -95.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1005.437240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.437240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.437240 (E_RNA) where: Base-Base interactions energy: -649.088 where: short stacking energy: -303.665 Base-Backbone interact. energy: -2.049 local terms energy: -354.300785 where: bonds (distance) C4'-P energy: -82.482 bonds (distance) P-C4' energy: -73.992 flat angles C4'-P-C4' energy: -71.610 flat angles P-C4'-P energy: -42.332 tors. eta vs tors. theta energy: -83.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -866.564708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.564708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.564708 (E_RNA) where: Base-Base interactions energy: -531.265 where: short stacking energy: -255.572 Base-Backbone interact. energy: -0.727 local terms energy: -334.572031 where: bonds (distance) C4'-P energy: -68.265 bonds (distance) P-C4' energy: -68.912 flat angles C4'-P-C4' energy: -77.432 flat angles P-C4'-P energy: -60.043 tors. eta vs tors. theta energy: -59.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -784.359400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.359400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.359400 (E_RNA) where: Base-Base interactions energy: -495.955 where: short stacking energy: -234.355 Base-Backbone interact. energy: 2.003 local terms energy: -290.407638 where: bonds (distance) C4'-P energy: -72.489 bonds (distance) P-C4' energy: -71.273 flat angles C4'-P-C4' energy: -60.853 flat angles P-C4'-P energy: -39.433 tors. eta vs tors. theta energy: -46.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -592.705570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.705570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.705570 (E_RNA) where: Base-Base interactions energy: -325.175 where: short stacking energy: -158.555 Base-Backbone interact. energy: -2.021 local terms energy: -265.509072 where: bonds (distance) C4'-P energy: -70.912 bonds (distance) P-C4' energy: -76.577 flat angles C4'-P-C4' energy: -66.123 flat angles P-C4'-P energy: -41.294 tors. eta vs tors. theta energy: -10.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -512.925263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.925263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.925263 (E_RNA) where: Base-Base interactions energy: -261.766 where: short stacking energy: -140.269 Base-Backbone interact. energy: 3.054 local terms energy: -254.213722 where: bonds (distance) C4'-P energy: -56.156 bonds (distance) P-C4' energy: -70.204 flat angles C4'-P-C4' energy: -65.655 flat angles P-C4'-P energy: -46.135 tors. eta vs tors. theta energy: -16.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -448.751370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.751370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.751370 (E_RNA) where: Base-Base interactions energy: -222.129 where: short stacking energy: -129.136 Base-Backbone interact. energy: -2.071 local terms energy: -224.552153 where: bonds (distance) C4'-P energy: -70.156 bonds (distance) P-C4' energy: -65.298 flat angles C4'-P-C4' energy: -54.965 flat angles P-C4'-P energy: -27.904 tors. eta vs tors. theta energy: -6.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1370.230797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.230797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.230797 (E_RNA) where: Base-Base interactions energy: -937.178 where: short stacking energy: -422.484 Base-Backbone interact. energy: -0.679 local terms energy: -432.373626 where: bonds (distance) C4'-P energy: -80.267 bonds (distance) P-C4' energy: -72.684 flat angles C4'-P-C4' energy: -88.775 flat angles P-C4'-P energy: -62.627 tors. eta vs tors. theta energy: -128.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1297.183715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.183715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.183715 (E_RNA) where: Base-Base interactions energy: -877.220 where: short stacking energy: -374.055 Base-Backbone interact. energy: -2.489 local terms energy: -417.474531 where: bonds (distance) C4'-P energy: -80.723 bonds (distance) P-C4' energy: -77.652 flat angles C4'-P-C4' energy: -88.142 flat angles P-C4'-P energy: -66.256 tors. eta vs tors. theta energy: -104.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1202.171874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.171874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.171874 (E_RNA) where: Base-Base interactions energy: -795.014 where: short stacking energy: -383.305 Base-Backbone interact. energy: 1.500 local terms energy: -408.657844 where: bonds (distance) C4'-P energy: -75.486 bonds (distance) P-C4' energy: -71.883 flat angles C4'-P-C4' energy: -87.088 flat angles P-C4'-P energy: -63.232 tors. eta vs tors. theta energy: -110.970 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: 2 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1132.975475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.975475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.975475 (E_RNA) where: Base-Base interactions energy: -744.885 where: short stacking energy: -337.930 Base-Backbone interact. energy: -2.236 local terms energy: -385.854572 where: bonds (distance) C4'-P energy: -73.651 bonds (distance) P-C4' energy: -77.752 flat angles C4'-P-C4' energy: -81.683 flat angles P-C4'-P energy: -57.884 tors. eta vs tors. theta energy: -94.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1011.034149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.034149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.034149 (E_RNA) where: Base-Base interactions energy: -650.092 where: short stacking energy: -301.436 Base-Backbone interact. energy: -0.644 local terms energy: -360.298236 where: bonds (distance) C4'-P energy: -63.585 bonds (distance) P-C4' energy: -70.475 flat angles C4'-P-C4' energy: -83.448 flat angles P-C4'-P energy: -52.656 tors. eta vs tors. theta energy: -90.135 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: 227 Temperature: 1.150000 Total energy: -858.257665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.257665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.257665 (E_RNA) where: Base-Base interactions energy: -543.295 where: short stacking energy: -279.376 Base-Backbone interact. energy: -1.852 local terms energy: -313.110850 where: bonds (distance) C4'-P energy: -60.216 bonds (distance) P-C4' energy: -74.353 flat angles C4'-P-C4' energy: -70.598 flat angles P-C4'-P energy: -42.600 tors. eta vs tors. theta energy: -65.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -791.350319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.350319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.350319 (E_RNA) where: Base-Base interactions energy: -500.055 where: short stacking energy: -250.213 Base-Backbone interact. energy: -2.500 local terms energy: -288.795044 where: bonds (distance) C4'-P energy: -64.164 bonds (distance) P-C4' energy: -67.441 flat angles C4'-P-C4' energy: -76.734 flat angles P-C4'-P energy: -38.310 tors. eta vs tors. theta energy: -42.146 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: 6 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -629.938857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.938857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.938857 (E_RNA) where: Base-Base interactions energy: -366.745 where: short stacking energy: -210.768 Base-Backbone interact. energy: 0.443 local terms energy: -263.637275 where: bonds (distance) C4'-P energy: -53.358 bonds (distance) P-C4' energy: -75.609 flat angles C4'-P-C4' energy: -64.475 flat angles P-C4'-P energy: -37.974 tors. eta vs tors. theta energy: -32.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -558.278708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.278708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.278708 (E_RNA) where: Base-Base interactions energy: -285.897 where: short stacking energy: -171.788 Base-Backbone interact. energy: 0.576 local terms energy: -272.957061 where: bonds (distance) C4'-P energy: -74.156 bonds (distance) P-C4' energy: -65.934 flat angles C4'-P-C4' energy: -65.470 flat angles P-C4'-P energy: -37.318 tors. eta vs tors. theta energy: -30.080 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: 8 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -465.421673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.421673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.421673 (E_RNA) where: Base-Base interactions energy: -220.470 where: short stacking energy: -135.337 Base-Backbone interact. energy: -1.740 local terms energy: -243.211771 where: bonds (distance) C4'-P energy: -63.610 bonds (distance) P-C4' energy: -77.042 flat angles C4'-P-C4' energy: -51.580 flat angles P-C4'-P energy: -40.061 tors. eta vs tors. theta energy: -10.918 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: 10 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1376.612136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.612136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.612136 (E_RNA) where: Base-Base interactions energy: -928.105 where: short stacking energy: -414.873 Base-Backbone interact. energy: -0.635 local terms energy: -447.871923 where: bonds (distance) C4'-P energy: -84.554 bonds (distance) P-C4' energy: -84.247 flat angles C4'-P-C4' energy: -92.761 flat angles P-C4'-P energy: -59.615 tors. eta vs tors. theta energy: -126.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1281.324426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.324426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.324426 (E_RNA) where: Base-Base interactions energy: -860.815 where: short stacking energy: -364.745 Base-Backbone interact. energy: 0.018 local terms energy: -420.527513 where: bonds (distance) C4'-P energy: -86.990 bonds (distance) P-C4' energy: -77.054 flat angles C4'-P-C4' energy: -87.540 flat angles P-C4'-P energy: -53.271 tors. eta vs tors. theta energy: -115.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1210.355252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.355252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.355252 (E_RNA) where: Base-Base interactions energy: -806.970 where: short stacking energy: -376.500 Base-Backbone interact. energy: -0.841 local terms energy: -402.544906 where: bonds (distance) C4'-P energy: -70.718 bonds (distance) P-C4' energy: -75.977 flat angles C4'-P-C4' energy: -86.853 flat angles P-C4'-P energy: -61.329 tors. eta vs tors. theta energy: -107.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1131.670917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.670917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.670917 (E_RNA) where: Base-Base interactions energy: -722.233 where: short stacking energy: -341.448 Base-Backbone interact. energy: -1.517 local terms energy: -407.921154 where: bonds (distance) C4'-P energy: -76.803 bonds (distance) P-C4' energy: -79.324 flat angles C4'-P-C4' energy: -93.901 flat angles P-C4'-P energy: -57.597 tors. eta vs tors. theta energy: -100.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -968.470230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.470230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.470230 (E_RNA) where: Base-Base interactions energy: -627.740 where: short stacking energy: -287.817 Base-Backbone interact. energy: 0.625 local terms energy: -341.355496 where: bonds (distance) C4'-P energy: -62.745 bonds (distance) P-C4' energy: -61.867 flat angles C4'-P-C4' energy: -83.918 flat angles P-C4'-P energy: -47.522 tors. eta vs tors. theta energy: -85.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -904.237594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.237594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.237594 (E_RNA) where: Base-Base interactions energy: -574.282 where: short stacking energy: -267.595 Base-Backbone interact. energy: -0.771 local terms energy: -329.184068 where: bonds (distance) C4'-P energy: -84.320 bonds (distance) P-C4' energy: -64.723 flat angles C4'-P-C4' energy: -70.727 flat angles P-C4'-P energy: -43.578 tors. eta vs tors. theta energy: -65.837 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: 3 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -781.385549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.385549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.385549 (E_RNA) where: Base-Base interactions energy: -473.258 where: short stacking energy: -232.129 Base-Backbone interact. energy: -1.705 local terms energy: -306.422443 where: bonds (distance) C4'-P energy: -61.170 bonds (distance) P-C4' energy: -78.700 flat angles C4'-P-C4' energy: -66.640 flat angles P-C4'-P energy: -54.182 tors. eta vs tors. theta energy: -45.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -635.889096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.889096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.889096 (E_RNA) where: Base-Base interactions energy: -397.107 where: short stacking energy: -204.392 Base-Backbone interact. energy: 1.534 local terms energy: -240.316005 where: bonds (distance) C4'-P energy: -52.988 bonds (distance) P-C4' energy: -68.766 flat angles C4'-P-C4' energy: -50.910 flat angles P-C4'-P energy: -45.709 tors. eta vs tors. theta energy: -21.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -511.283265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.283265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.283265 (E_RNA) where: Base-Base interactions energy: -266.648 where: short stacking energy: -150.125 Base-Backbone interact. energy: -0.646 local terms energy: -243.989593 where: bonds (distance) C4'-P energy: -77.966 bonds (distance) P-C4' energy: -63.536 flat angles C4'-P-C4' energy: -51.989 flat angles P-C4'-P energy: -28.966 tors. eta vs tors. theta energy: -21.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -471.734450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.734450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.734450 (E_RNA) where: Base-Base interactions energy: -220.833 where: short stacking energy: -137.856 Base-Backbone interact. energy: -0.278 local terms energy: -250.623557 where: bonds (distance) C4'-P energy: -74.748 bonds (distance) P-C4' energy: -78.938 flat angles C4'-P-C4' energy: -50.174 flat angles P-C4'-P energy: -38.690 tors. eta vs tors. theta energy: -8.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1377.525634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.525634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.525634 (E_RNA) where: Base-Base interactions energy: -953.110 where: short stacking energy: -431.443 Base-Backbone interact. energy: 0.195 local terms energy: -424.610662 where: bonds (distance) C4'-P energy: -82.783 bonds (distance) P-C4' energy: -77.408 flat angles C4'-P-C4' energy: -86.683 flat angles P-C4'-P energy: -48.148 tors. eta vs tors. theta energy: -129.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1281.113126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.113126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.113126 (E_RNA) where: Base-Base interactions energy: -868.611 where: short stacking energy: -374.262 Base-Backbone interact. energy: -1.029 local terms energy: -411.473106 where: bonds (distance) C4'-P energy: -83.233 bonds (distance) P-C4' energy: -80.077 flat angles C4'-P-C4' energy: -78.914 flat angles P-C4'-P energy: -59.251 tors. eta vs tors. theta energy: -109.998 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: 9 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1217.648001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.648001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.648001 (E_RNA) where: Base-Base interactions energy: -811.923 where: short stacking energy: -371.800 Base-Backbone interact. energy: -1.655 local terms energy: -404.069632 where: bonds (distance) C4'-P energy: -70.745 bonds (distance) P-C4' energy: -78.358 flat angles C4'-P-C4' energy: -89.420 flat angles P-C4'-P energy: -52.601 tors. eta vs tors. theta energy: -112.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1130.446638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.446638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.446638 (E_RNA) where: Base-Base interactions energy: -747.544 where: short stacking energy: -352.513 Base-Backbone interact. energy: -1.931 local terms energy: -380.972321 where: bonds (distance) C4'-P energy: -66.282 bonds (distance) P-C4' energy: -82.460 flat angles C4'-P-C4' energy: -77.476 flat angles P-C4'-P energy: -56.596 tors. eta vs tors. theta energy: -98.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -971.079477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.079477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.079477 (E_RNA) where: Base-Base interactions energy: -606.772 where: short stacking energy: -280.949 Base-Backbone interact. energy: 0.616 local terms energy: -364.924357 where: bonds (distance) C4'-P energy: -81.421 bonds (distance) P-C4' energy: -70.953 flat angles C4'-P-C4' energy: -76.179 flat angles P-C4'-P energy: -62.059 tors. eta vs tors. theta energy: -74.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -907.709890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.709890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.709890 (E_RNA) where: Base-Base interactions energy: -570.230 where: short stacking energy: -266.176 Base-Backbone interact. energy: 1.248 local terms energy: -338.727217 where: bonds (distance) C4'-P energy: -76.325 bonds (distance) P-C4' energy: -72.969 flat angles C4'-P-C4' energy: -71.194 flat angles P-C4'-P energy: -50.973 tors. eta vs tors. theta energy: -67.266 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: 3 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -797.714158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.714158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.714158 (E_RNA) where: Base-Base interactions energy: -493.168 where: short stacking energy: -226.361 Base-Backbone interact. energy: 0.355 local terms energy: -304.901244 where: bonds (distance) C4'-P energy: -75.726 bonds (distance) P-C4' energy: -69.030 flat angles C4'-P-C4' energy: -63.348 flat angles P-C4'-P energy: -46.048 tors. eta vs tors. theta energy: -50.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -614.224096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.224096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.224096 (E_RNA) where: Base-Base interactions energy: -374.617 where: short stacking energy: -175.390 Base-Backbone interact. energy: 1.314 local terms energy: -240.921277 where: bonds (distance) C4'-P energy: -78.865 bonds (distance) P-C4' energy: -53.786 flat angles C4'-P-C4' energy: -61.092 flat angles P-C4'-P energy: -29.989 tors. eta vs tors. theta energy: -17.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -488.693393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.693393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.693393 (E_RNA) where: Base-Base interactions energy: -233.126 where: short stacking energy: -136.721 Base-Backbone interact. energy: 0.045 local terms energy: -255.612340 where: bonds (distance) C4'-P energy: -71.993 bonds (distance) P-C4' energy: -57.046 flat angles C4'-P-C4' energy: -71.112 flat angles P-C4'-P energy: -45.810 tors. eta vs tors. theta energy: -9.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -472.106531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.106531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.106531 (E_RNA) where: Base-Base interactions energy: -239.518 where: short stacking energy: -123.968 Base-Backbone interact. energy: -0.277 local terms energy: -232.311583 where: bonds (distance) C4'-P energy: -52.274 bonds (distance) P-C4' energy: -77.288 flat angles C4'-P-C4' energy: -54.616 flat angles P-C4'-P energy: -40.256 tors. eta vs tors. theta energy: -7.878 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: 10 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1392.485677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.485677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.485677 (E_RNA) where: Base-Base interactions energy: -948.003 where: short stacking energy: -427.103 Base-Backbone interact. energy: -1.550 local terms energy: -442.932297 where: bonds (distance) C4'-P energy: -77.554 bonds (distance) P-C4' energy: -86.999 flat angles C4'-P-C4' energy: -84.032 flat angles P-C4'-P energy: -64.464 tors. eta vs tors. theta energy: -129.883 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: 7 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1303.660199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.660199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.660199 (E_RNA) where: Base-Base interactions energy: -878.411 where: short stacking energy: -371.155 Base-Backbone interact. energy: -2.071 local terms energy: -423.177454 where: bonds (distance) C4'-P energy: -83.001 bonds (distance) P-C4' energy: -81.455 flat angles C4'-P-C4' energy: -90.914 flat angles P-C4'-P energy: -55.575 tors. eta vs tors. theta energy: -112.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1208.711082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.711082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.711082 (E_RNA) where: Base-Base interactions energy: -798.111 where: short stacking energy: -396.789 Base-Backbone interact. energy: -0.867 local terms energy: -409.733913 where: bonds (distance) C4'-P energy: -74.843 bonds (distance) P-C4' energy: -71.897 flat angles C4'-P-C4' energy: -87.931 flat angles P-C4'-P energy: -63.411 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: 4, replica: 2 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1134.480640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.480640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.480640 (E_RNA) where: Base-Base interactions energy: -766.047 where: short stacking energy: -346.882 Base-Backbone interact. energy: 1.207 local terms energy: -369.640745 where: bonds (distance) C4'-P energy: -79.527 bonds (distance) P-C4' energy: -68.048 flat angles C4'-P-C4' energy: -83.813 flat angles P-C4'-P energy: -49.915 tors. eta vs tors. theta energy: -88.338 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: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1040.432174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.432174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.432174 (E_RNA) where: Base-Base interactions energy: -674.010 where: short stacking energy: -316.349 Base-Backbone interact. energy: 3.380 local terms energy: -369.802079 where: bonds (distance) C4'-P energy: -70.660 bonds (distance) P-C4' energy: -60.477 flat angles C4'-P-C4' energy: -85.924 flat angles P-C4'-P energy: -63.399 tors. eta vs tors. theta energy: -89.342 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: 1 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -892.718016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.718016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.718016 (E_RNA) where: Base-Base interactions energy: -574.736 where: short stacking energy: -282.003 Base-Backbone interact. energy: -1.023 local terms energy: -316.959000 where: bonds (distance) C4'-P energy: -79.833 bonds (distance) P-C4' energy: -65.036 flat angles C4'-P-C4' energy: -69.570 flat angles P-C4'-P energy: -48.332 tors. eta vs tors. theta energy: -54.187 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: 7, replica: 3 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -814.715667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.715667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.715667 (E_RNA) where: Base-Base interactions energy: -510.150 where: short stacking energy: -258.897 Base-Backbone interact. energy: 3.891 local terms energy: -308.456289 where: bonds (distance) C4'-P energy: -48.947 bonds (distance) P-C4' energy: -76.090 flat angles C4'-P-C4' energy: -77.165 flat angles P-C4'-P energy: -44.854 tors. eta vs tors. theta energy: -61.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -599.310735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.310735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.310735 (E_RNA) where: Base-Base interactions energy: -328.073 where: short stacking energy: -160.767 Base-Backbone interact. energy: -3.660 local terms energy: -267.577691 where: bonds (distance) C4'-P energy: -58.345 bonds (distance) P-C4' energy: -77.705 flat angles C4'-P-C4' energy: -71.247 flat angles P-C4'-P energy: -39.644 tors. eta vs tors. theta energy: -20.637 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: 230 Temperature: 1.300000 Total energy: -530.114885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.114885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.114885 (E_RNA) where: Base-Base interactions energy: -277.825 where: short stacking energy: -153.373 Base-Backbone interact. energy: -1.224 local terms energy: -251.065821 where: bonds (distance) C4'-P energy: -61.574 bonds (distance) P-C4' energy: -66.085 flat angles C4'-P-C4' energy: -63.010 flat angles P-C4'-P energy: -48.624 tors. eta vs tors. theta energy: -11.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -432.814813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.814813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.814813 (E_RNA) where: Base-Base interactions energy: -222.915 where: short stacking energy: -136.934 Base-Backbone interact. energy: 0.784 local terms energy: -210.683804 where: bonds (distance) C4'-P energy: -55.840 bonds (distance) P-C4' energy: -66.483 flat angles C4'-P-C4' energy: -57.579 flat angles P-C4'-P energy: -25.137 tors. eta vs tors. theta energy: -5.645 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: 1, replica: 10 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1402.240941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.240941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.240941 (E_RNA) where: Base-Base interactions energy: -965.718 where: short stacking energy: -441.529 Base-Backbone interact. energy: -0.635 local terms energy: -435.887143 where: bonds (distance) C4'-P energy: -72.091 bonds (distance) P-C4' energy: -80.563 flat angles C4'-P-C4' energy: -96.705 flat angles P-C4'-P energy: -58.002 tors. eta vs tors. theta energy: -128.527 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: 2, replica: 7 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1322.900197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.900197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.900197 (E_RNA) where: Base-Base interactions energy: -899.643 where: short stacking energy: -393.786 Base-Backbone interact. energy: -2.496 local terms energy: -420.761730 where: bonds (distance) C4'-P energy: -78.587 bonds (distance) P-C4' energy: -70.879 flat angles C4'-P-C4' energy: -90.574 flat angles P-C4'-P energy: -66.011 tors. eta vs tors. theta energy: -114.710 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: 9 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1201.942636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.942636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.942636 (E_RNA) where: Base-Base interactions energy: -790.038 where: short stacking energy: -371.159 Base-Backbone interact. energy: -1.148 local terms energy: -410.755812 where: bonds (distance) C4'-P energy: -83.053 bonds (distance) P-C4' energy: -81.384 flat angles C4'-P-C4' energy: -84.080 flat angles P-C4'-P energy: -58.326 tors. eta vs tors. theta energy: -103.912 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: 2 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1146.972036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.972036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.972036 (E_RNA) where: Base-Base interactions energy: -762.948 where: short stacking energy: -351.220 Base-Backbone interact. energy: -1.335 local terms energy: -382.688334 where: bonds (distance) C4'-P energy: -67.195 bonds (distance) P-C4' energy: -76.264 flat angles C4'-P-C4' energy: -84.380 flat angles P-C4'-P energy: -50.766 tors. eta vs tors. theta energy: -104.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -967.000222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.000222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.000222 (E_RNA) where: Base-Base interactions energy: -612.046 where: short stacking energy: -286.335 Base-Backbone interact. energy: -0.665 local terms energy: -354.289493 where: bonds (distance) C4'-P energy: -80.269 bonds (distance) P-C4' energy: -72.629 flat angles C4'-P-C4' energy: -79.270 flat angles P-C4'-P energy: -43.565 tors. eta vs tors. theta energy: -78.557 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: 6, replica: 1 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -866.904209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.904209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.904209 (E_RNA) where: Base-Base interactions energy: -522.518 where: short stacking energy: -249.294 Base-Backbone interact. energy: -1.140 local terms energy: -343.245706 where: bonds (distance) C4'-P energy: -78.010 bonds (distance) P-C4' energy: -67.766 flat angles C4'-P-C4' energy: -66.975 flat angles P-C4'-P energy: -55.819 tors. eta vs tors. theta energy: -74.676 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: 3 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -762.311217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.311217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.311217 (E_RNA) where: Base-Base interactions energy: -464.328 where: short stacking energy: -215.508 Base-Backbone interact. energy: -3.472 local terms energy: -294.511569 where: bonds (distance) C4'-P energy: -62.106 bonds (distance) P-C4' energy: -75.230 flat angles C4'-P-C4' energy: -70.209 flat angles P-C4'-P energy: -46.271 tors. eta vs tors. theta energy: -40.696 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: 8, replica: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -643.689280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.689280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.689280 (E_RNA) where: Base-Base interactions energy: -383.674 where: short stacking energy: -191.675 Base-Backbone interact. energy: -0.658 local terms energy: -259.357497 where: bonds (distance) C4'-P energy: -68.538 bonds (distance) P-C4' energy: -65.984 flat angles C4'-P-C4' energy: -65.705 flat angles P-C4'-P energy: -31.867 tors. eta vs tors. theta energy: -27.263 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: 8 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -533.880576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.880576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.880576 (E_RNA) where: Base-Base interactions energy: -278.439 where: short stacking energy: -158.406 Base-Backbone interact. energy: -1.135 local terms energy: -254.306352 where: bonds (distance) C4'-P energy: -62.960 bonds (distance) P-C4' energy: -67.634 flat angles C4'-P-C4' energy: -56.684 flat angles P-C4'-P energy: -43.535 tors. eta vs tors. theta energy: -23.494 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: 10, replica: 5 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -482.972695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.972695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.972695 (E_RNA) where: Base-Base interactions energy: -270.519 where: short stacking energy: -152.800 Base-Backbone interact. energy: -2.679 local terms energy: -209.775575 where: bonds (distance) C4'-P energy: -55.075 bonds (distance) P-C4' energy: -64.794 flat angles C4'-P-C4' energy: -60.590 flat angles P-C4'-P energy: -24.560 tors. eta vs tors. theta energy: -4.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1363.200552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.200552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.200552 (E_RNA) where: Base-Base interactions energy: -928.119 where: short stacking energy: -434.211 Base-Backbone interact. energy: -1.077 local terms energy: -434.005002 where: bonds (distance) C4'-P energy: -76.448 bonds (distance) P-C4' energy: -75.887 flat angles C4'-P-C4' energy: -93.032 flat angles P-C4'-P energy: -56.966 tors. eta vs tors. theta energy: -131.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1324.991389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.991389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.991389 (E_RNA) where: Base-Base interactions energy: -918.489 where: short stacking energy: -388.759 Base-Backbone interact. energy: -2.020 local terms energy: -404.482000 where: bonds (distance) C4'-P energy: -75.138 bonds (distance) P-C4' energy: -73.123 flat angles C4'-P-C4' energy: -81.957 flat angles P-C4'-P energy: -54.161 tors. eta vs tors. theta energy: -120.103 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: 232 Temperature: 1.000000 Total energy: -1201.691487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.691487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.691487 (E_RNA) where: Base-Base interactions energy: -792.196 where: short stacking energy: -366.001 Base-Backbone interact. energy: -1.244 local terms energy: -408.252200 where: bonds (distance) C4'-P energy: -75.201 bonds (distance) P-C4' energy: -72.063 flat angles C4'-P-C4' energy: -87.007 flat angles P-C4'-P energy: -61.717 tors. eta vs tors. theta energy: -112.265 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: 4, replica: 2 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1101.891693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.891693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.891693 (E_RNA) where: Base-Base interactions energy: -721.803 where: short stacking energy: -317.739 Base-Backbone interact. energy: -0.477 local terms energy: -379.611943 where: bonds (distance) C4'-P energy: -72.517 bonds (distance) P-C4' energy: -70.105 flat angles C4'-P-C4' energy: -88.889 flat angles P-C4'-P energy: -53.942 tors. eta vs tors. theta energy: -94.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1014.693540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.693540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.693540 (E_RNA) where: Base-Base interactions energy: -655.742 where: short stacking energy: -297.494 Base-Backbone interact. energy: -2.023 local terms energy: -356.928143 where: bonds (distance) C4'-P energy: -77.363 bonds (distance) P-C4' energy: -70.886 flat angles C4'-P-C4' energy: -69.472 flat angles P-C4'-P energy: -59.863 tors. eta vs tors. theta energy: -79.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -952.877738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.877738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.877738 (E_RNA) where: Base-Base interactions energy: -588.006 where: short stacking energy: -279.642 Base-Backbone interact. energy: -2.316 local terms energy: -362.555004 where: bonds (distance) C4'-P energy: -68.609 bonds (distance) P-C4' energy: -87.220 flat angles C4'-P-C4' energy: -80.484 flat angles P-C4'-P energy: -48.604 tors. eta vs tors. theta energy: -77.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -730.112082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.112082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.112082 (E_RNA) where: Base-Base interactions energy: -423.473 where: short stacking energy: -202.424 Base-Backbone interact. energy: 0.835 local terms energy: -307.473476 where: bonds (distance) C4'-P energy: -63.548 bonds (distance) P-C4' energy: -86.134 flat angles C4'-P-C4' energy: -74.388 flat angles P-C4'-P energy: -43.110 tors. eta vs tors. theta energy: -40.294 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: 6 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -644.780076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.780076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.780076 (E_RNA) where: Base-Base interactions energy: -357.478 where: short stacking energy: -162.658 Base-Backbone interact. energy: -0.471 local terms energy: -286.831653 where: bonds (distance) C4'-P energy: -78.844 bonds (distance) P-C4' energy: -69.386 flat angles C4'-P-C4' energy: -70.956 flat angles P-C4'-P energy: -41.555 tors. eta vs tors. theta energy: -26.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -505.608254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.608254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.608254 (E_RNA) where: Base-Base interactions energy: -253.248 where: short stacking energy: -147.837 Base-Backbone interact. energy: -0.366 local terms energy: -251.994575 where: bonds (distance) C4'-P energy: -68.782 bonds (distance) P-C4' energy: -59.639 flat angles C4'-P-C4' energy: -67.329 flat angles P-C4'-P energy: -33.993 tors. eta vs tors. theta energy: -22.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -453.537637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.537637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.537637 (E_RNA) where: Base-Base interactions energy: -233.490 where: short stacking energy: -119.510 Base-Backbone interact. energy: 3.424 local terms energy: -223.472071 where: bonds (distance) C4'-P energy: -50.137 bonds (distance) P-C4' energy: -75.080 flat angles C4'-P-C4' energy: -66.896 flat angles P-C4'-P energy: -35.208 tors. eta vs tors. theta energy: 3.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1380.184166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.184166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.184166 (E_RNA) where: Base-Base interactions energy: -946.566 where: short stacking energy: -427.146 Base-Backbone interact. energy: -0.678 local terms energy: -432.940024 where: bonds (distance) C4'-P energy: -72.451 bonds (distance) P-C4' energy: -78.224 flat angles C4'-P-C4' energy: -97.926 flat angles P-C4'-P energy: -55.607 tors. eta vs tors. theta energy: -128.732 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: 7 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1310.773880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.773880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.773880 (E_RNA) where: Base-Base interactions energy: -893.344 where: short stacking energy: -393.161 Base-Backbone interact. energy: -1.698 local terms energy: -415.731816 where: bonds (distance) C4'-P energy: -76.192 bonds (distance) P-C4' energy: -82.973 flat angles C4'-P-C4' energy: -87.279 flat angles P-C4'-P energy: -62.610 tors. eta vs tors. theta energy: -106.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1176.665186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.665186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.665186 (E_RNA) where: Base-Base interactions energy: -794.907 where: short stacking energy: -363.607 Base-Backbone interact. energy: 3.066 local terms energy: -384.823624 where: bonds (distance) C4'-P energy: -73.862 bonds (distance) P-C4' energy: -76.350 flat angles C4'-P-C4' energy: -83.289 flat angles P-C4'-P energy: -54.253 tors. eta vs tors. theta energy: -97.069 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: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1131.843416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.843416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.843416 (E_RNA) where: Base-Base interactions energy: -734.637 where: short stacking energy: -336.528 Base-Backbone interact. energy: 0.192 local terms energy: -397.398088 where: bonds (distance) C4'-P energy: -73.991 bonds (distance) P-C4' energy: -83.245 flat angles C4'-P-C4' energy: -86.444 flat angles P-C4'-P energy: -54.849 tors. eta vs tors. theta energy: -98.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1042.950410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.950410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.950410 (E_RNA) where: Base-Base interactions energy: -683.800 where: short stacking energy: -324.170 Base-Backbone interact. energy: -0.604 local terms energy: -358.546065 where: bonds (distance) C4'-P energy: -66.006 bonds (distance) P-C4' energy: -75.828 flat angles C4'-P-C4' energy: -76.974 flat angles P-C4'-P energy: -50.695 tors. eta vs tors. theta energy: -89.043 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: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -924.948305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.948305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.948305 (E_RNA) where: Base-Base interactions energy: -598.163 where: short stacking energy: -288.969 Base-Backbone interact. energy: -0.014 local terms energy: -326.771555 where: bonds (distance) C4'-P energy: -63.754 bonds (distance) P-C4' energy: -74.245 flat angles C4'-P-C4' energy: -78.981 flat angles P-C4'-P energy: -51.577 tors. eta vs tors. theta energy: -58.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -688.557996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.557996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.557996 (E_RNA) where: Base-Base interactions energy: -401.767 where: short stacking energy: -210.323 Base-Backbone interact. energy: -0.902 local terms energy: -285.889638 where: bonds (distance) C4'-P energy: -67.147 bonds (distance) P-C4' energy: -64.748 flat angles C4'-P-C4' energy: -77.742 flat angles P-C4'-P energy: -45.047 tors. eta vs tors. theta energy: -31.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -625.648884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.648884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.648884 (E_RNA) where: Base-Base interactions energy: -352.381 where: short stacking energy: -174.316 Base-Backbone interact. energy: 1.948 local terms energy: -275.215276 where: bonds (distance) C4'-P energy: -78.208 bonds (distance) P-C4' energy: -73.336 flat angles C4'-P-C4' energy: -62.457 flat angles P-C4'-P energy: -40.382 tors. eta vs tors. theta energy: -20.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -530.146671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.146671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.146671 (E_RNA) where: Base-Base interactions energy: -274.220 where: short stacking energy: -166.878 Base-Backbone interact. energy: 0.394 local terms energy: -256.320020 where: bonds (distance) C4'-P energy: -73.205 bonds (distance) P-C4' energy: -73.856 flat angles C4'-P-C4' energy: -64.333 flat angles P-C4'-P energy: -31.714 tors. eta vs tors. theta energy: -13.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -430.364761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.364761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.364761 (E_RNA) where: Base-Base interactions energy: -191.958 where: short stacking energy: -113.345 Base-Backbone interact. energy: -0.899 local terms energy: -237.507670 where: bonds (distance) C4'-P energy: -62.041 bonds (distance) P-C4' energy: -76.287 flat angles C4'-P-C4' energy: -45.731 flat angles P-C4'-P energy: -39.601 tors. eta vs tors. theta energy: -13.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1383.109242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.109242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.109242 (E_RNA) where: Base-Base interactions energy: -940.574 where: short stacking energy: -428.084 Base-Backbone interact. energy: -0.991 local terms energy: -441.544392 where: bonds (distance) C4'-P energy: -67.300 bonds (distance) P-C4' energy: -85.634 flat angles C4'-P-C4' energy: -93.434 flat angles P-C4'-P energy: -71.419 tors. eta vs tors. theta energy: -123.757 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: 7 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1315.379611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.379611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.379611 (E_RNA) where: Base-Base interactions energy: -901.519 where: short stacking energy: -390.070 Base-Backbone interact. energy: -1.702 local terms energy: -412.157933 where: bonds (distance) C4'-P energy: -80.378 bonds (distance) P-C4' energy: -75.014 flat angles C4'-P-C4' energy: -82.317 flat angles P-C4'-P energy: -55.693 tors. eta vs tors. theta energy: -118.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1167.717903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.717903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.717903 (E_RNA) where: Base-Base interactions energy: -770.174 where: short stacking energy: -344.503 Base-Backbone interact. energy: 4.801 local terms energy: -402.345020 where: bonds (distance) C4'-P energy: -71.594 bonds (distance) P-C4' energy: -81.824 flat angles C4'-P-C4' energy: -85.320 flat angles P-C4'-P energy: -68.848 tors. eta vs tors. theta energy: -94.760 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: 9 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1141.335877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.335877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.335877 (E_RNA) where: Base-Base interactions energy: -758.048 where: short stacking energy: -356.049 Base-Backbone interact. energy: 1.863 local terms energy: -385.151598 where: bonds (distance) C4'-P energy: -62.205 bonds (distance) P-C4' energy: -73.772 flat angles C4'-P-C4' energy: -91.074 flat angles P-C4'-P energy: -59.676 tors. eta vs tors. theta energy: -98.424 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: 4 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1049.124942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.124942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.124942 (E_RNA) where: Base-Base interactions energy: -712.762 where: short stacking energy: -312.783 Base-Backbone interact. energy: 1.882 local terms energy: -338.244851 where: bonds (distance) C4'-P energy: -60.756 bonds (distance) P-C4' energy: -61.454 flat angles C4'-P-C4' energy: -75.801 flat angles P-C4'-P energy: -53.583 tors. eta vs tors. theta energy: -86.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -897.363053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.363053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.363053 (E_RNA) where: Base-Base interactions energy: -562.502 where: short stacking energy: -269.295 Base-Backbone interact. energy: -1.489 local terms energy: -333.371924 where: bonds (distance) C4'-P energy: -72.454 bonds (distance) P-C4' energy: -77.552 flat angles C4'-P-C4' energy: -70.343 flat angles P-C4'-P energy: -49.167 tors. eta vs tors. theta energy: -63.856 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: 3 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -662.925420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.925420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.925420 (E_RNA) where: Base-Base interactions energy: -369.828 where: short stacking energy: -196.265 Base-Backbone interact. energy: 0.203 local terms energy: -293.300098 where: bonds (distance) C4'-P energy: -70.983 bonds (distance) P-C4' energy: -67.245 flat angles C4'-P-C4' energy: -78.630 flat angles P-C4'-P energy: -34.041 tors. eta vs tors. theta energy: -42.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -600.137903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.137903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.137903 (E_RNA) where: Base-Base interactions energy: -332.576 where: short stacking energy: -170.692 Base-Backbone interact. energy: -0.207 local terms energy: -267.354437 where: bonds (distance) C4'-P energy: -70.337 bonds (distance) P-C4' energy: -73.047 flat angles C4'-P-C4' energy: -62.880 flat angles P-C4'-P energy: -39.136 tors. eta vs tors. theta energy: -21.955 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: 8 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -488.698515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.698515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.698515 (E_RNA) where: Base-Base interactions energy: -249.943 where: short stacking energy: -155.477 Base-Backbone interact. energy: 3.269 local terms energy: -242.024244 where: bonds (distance) C4'-P energy: -56.839 bonds (distance) P-C4' energy: -58.064 flat angles C4'-P-C4' energy: -70.365 flat angles P-C4'-P energy: -43.838 tors. eta vs tors. theta energy: -12.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -417.943406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.943406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.943406 (E_RNA) where: Base-Base interactions energy: -224.591 where: short stacking energy: -142.027 Base-Backbone interact. energy: -0.818 local terms energy: -192.534868 where: bonds (distance) C4'-P energy: -48.721 bonds (distance) P-C4' energy: -54.306 flat angles C4'-P-C4' energy: -56.096 flat angles P-C4'-P energy: -28.733 tors. eta vs tors. theta energy: -4.678 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: 10 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1355.497343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.497343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.497343 (E_RNA) where: Base-Base interactions energy: -910.161 where: short stacking energy: -419.854 Base-Backbone interact. energy: -0.458 local terms energy: -444.878410 where: bonds (distance) C4'-P energy: -76.610 bonds (distance) P-C4' energy: -86.004 flat angles C4'-P-C4' energy: -96.949 flat angles P-C4'-P energy: -58.734 tors. eta vs tors. theta energy: -126.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1306.637158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.637158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.637158 (E_RNA) where: Base-Base interactions energy: -880.655 where: short stacking energy: -380.830 Base-Backbone interact. energy: 0.367 local terms energy: -426.349346 where: bonds (distance) C4'-P energy: -79.575 bonds (distance) P-C4' energy: -89.795 flat angles C4'-P-C4' energy: -82.067 flat angles P-C4'-P energy: -55.136 tors. eta vs tors. theta energy: -119.778 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: 2 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1184.462536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.462536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.462536 (E_RNA) where: Base-Base interactions energy: -796.076 where: short stacking energy: -355.730 Base-Backbone interact. energy: -1.638 local terms energy: -386.748147 where: bonds (distance) C4'-P energy: -62.344 bonds (distance) P-C4' energy: -83.457 flat angles C4'-P-C4' energy: -81.677 flat angles P-C4'-P energy: -56.475 tors. eta vs tors. theta energy: -102.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1109.188917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.188917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.188917 (E_RNA) where: Base-Base interactions energy: -727.026 where: short stacking energy: -316.232 Base-Backbone interact. energy: -1.231 local terms energy: -380.932514 where: bonds (distance) C4'-P energy: -69.686 bonds (distance) P-C4' energy: -78.285 flat angles C4'-P-C4' energy: -81.665 flat angles P-C4'-P energy: -62.212 tors. eta vs tors. theta energy: -89.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1034.554472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.554472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.554472 (E_RNA) where: Base-Base interactions energy: -654.076 where: short stacking energy: -299.376 Base-Backbone interact. energy: -1.479 local terms energy: -378.999987 where: bonds (distance) C4'-P energy: -70.306 bonds (distance) P-C4' energy: -84.140 flat angles C4'-P-C4' energy: -79.377 flat angles P-C4'-P energy: -59.660 tors. eta vs tors. theta energy: -85.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -861.140649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.140649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.140649 (E_RNA) where: Base-Base interactions energy: -515.414 where: short stacking energy: -265.488 Base-Backbone interact. energy: 1.360 local terms energy: -347.086269 where: bonds (distance) C4'-P energy: -72.222 bonds (distance) P-C4' energy: -75.934 flat angles C4'-P-C4' energy: -84.931 flat angles P-C4'-P energy: -47.944 tors. eta vs tors. theta energy: -66.054 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: 3 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -652.110287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.110287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.110287 (E_RNA) where: Base-Base interactions energy: -366.747 where: short stacking energy: -187.453 Base-Backbone interact. energy: -1.815 local terms energy: -283.548332 where: bonds (distance) C4'-P energy: -55.264 bonds (distance) P-C4' energy: -90.071 flat angles C4'-P-C4' energy: -69.858 flat angles P-C4'-P energy: -39.559 tors. eta vs tors. theta energy: -28.796 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: 6 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -605.885533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.885533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.885533 (E_RNA) where: Base-Base interactions energy: -352.649 where: short stacking energy: -163.672 Base-Backbone interact. energy: -0.947 local terms energy: -252.289736 where: bonds (distance) C4'-P energy: -66.515 bonds (distance) P-C4' energy: -78.643 flat angles C4'-P-C4' energy: -56.426 flat angles P-C4'-P energy: -38.494 tors. eta vs tors. theta energy: -12.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -493.039770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.039770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.039770 (E_RNA) where: Base-Base interactions energy: -261.721 where: short stacking energy: -148.335 Base-Backbone interact. energy: 0.002 local terms energy: -231.320923 where: bonds (distance) C4'-P energy: -63.850 bonds (distance) P-C4' energy: -63.907 flat angles C4'-P-C4' energy: -56.849 flat angles P-C4'-P energy: -35.690 tors. eta vs tors. theta energy: -11.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -435.926864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.926864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.926864 (E_RNA) where: Base-Base interactions energy: -200.677 where: short stacking energy: -110.256 Base-Backbone interact. energy: 3.346 local terms energy: -238.596227 where: bonds (distance) C4'-P energy: -62.206 bonds (distance) P-C4' energy: -68.466 flat angles C4'-P-C4' energy: -79.210 flat angles P-C4'-P energy: -30.798 tors. eta vs tors. theta energy: 2.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1353.037776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.037776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.037776 (E_RNA) where: Base-Base interactions energy: -905.213 where: short stacking energy: -423.709 Base-Backbone interact. energy: -0.692 local terms energy: -447.131901 where: bonds (distance) C4'-P energy: -76.238 bonds (distance) P-C4' energy: -88.029 flat angles C4'-P-C4' energy: -89.646 flat angles P-C4'-P energy: -65.252 tors. eta vs tors. theta energy: -127.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1304.879003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.879003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.879003 (E_RNA) where: Base-Base interactions energy: -887.930 where: short stacking energy: -387.326 Base-Backbone interact. energy: -1.341 local terms energy: -415.608109 where: bonds (distance) C4'-P energy: -79.150 bonds (distance) P-C4' energy: -79.822 flat angles C4'-P-C4' energy: -89.756 flat angles P-C4'-P energy: -49.017 tors. eta vs tors. theta energy: -117.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1201.028916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.028916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.028916 (E_RNA) where: Base-Base interactions energy: -780.602 where: short stacking energy: -357.989 Base-Backbone interact. energy: -1.804 local terms energy: -418.623699 where: bonds (distance) C4'-P energy: -90.326 bonds (distance) P-C4' energy: -78.960 flat angles C4'-P-C4' energy: -85.796 flat angles P-C4'-P energy: -62.901 tors. eta vs tors. theta energy: -100.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1150.391394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.391394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.391394 (E_RNA) where: Base-Base interactions energy: -740.106 where: short stacking energy: -360.638 Base-Backbone interact. energy: -2.634 local terms energy: -407.651211 where: bonds (distance) C4'-P energy: -75.658 bonds (distance) P-C4' energy: -76.597 flat angles C4'-P-C4' energy: -87.481 flat angles P-C4'-P energy: -67.468 tors. eta vs tors. theta energy: -100.447 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: 5, replica: 4 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1009.453180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.453180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.453180 (E_RNA) where: Base-Base interactions energy: -652.559 where: short stacking energy: -309.176 Base-Backbone interact. energy: 0.712 local terms energy: -357.606328 where: bonds (distance) C4'-P energy: -69.256 bonds (distance) P-C4' energy: -86.702 flat angles C4'-P-C4' energy: -78.205 flat angles P-C4'-P energy: -48.589 tors. eta vs tors. theta energy: -74.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -857.947482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.947482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.947482 (E_RNA) where: Base-Base interactions energy: -531.100 where: short stacking energy: -261.842 Base-Backbone interact. energy: 0.422 local terms energy: -327.270053 where: bonds (distance) C4'-P energy: -69.851 bonds (distance) P-C4' energy: -66.538 flat angles C4'-P-C4' energy: -71.834 flat angles P-C4'-P energy: -50.574 tors. eta vs tors. theta energy: -68.473 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: 236 Temperature: 1.200000 Total energy: -673.683960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.683960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.683960 (E_RNA) where: Base-Base interactions energy: -405.929 where: short stacking energy: -220.264 Base-Backbone interact. energy: 2.002 local terms energy: -269.756306 where: bonds (distance) C4'-P energy: -66.479 bonds (distance) P-C4' energy: -77.106 flat angles C4'-P-C4' energy: -59.726 flat angles P-C4'-P energy: -33.958 tors. eta vs tors. theta energy: -32.487 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: 6 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -635.388421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.388421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.388421 (E_RNA) where: Base-Base interactions energy: -348.548 where: short stacking energy: -171.718 Base-Backbone interact. energy: 1.335 local terms energy: -288.175300 where: bonds (distance) C4'-P energy: -80.712 bonds (distance) P-C4' energy: -80.649 flat angles C4'-P-C4' energy: -69.976 flat angles P-C4'-P energy: -42.529 tors. eta vs tors. theta energy: -14.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -533.260633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.260633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.260633 (E_RNA) where: Base-Base interactions energy: -269.079 where: short stacking energy: -149.261 Base-Backbone interact. energy: -0.988 local terms energy: -263.193335 where: bonds (distance) C4'-P energy: -76.561 bonds (distance) P-C4' energy: -68.913 flat angles C4'-P-C4' energy: -67.175 flat angles P-C4'-P energy: -38.143 tors. eta vs tors. theta energy: -12.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -457.807809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.807809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.807809 (E_RNA) where: Base-Base interactions energy: -223.936 where: short stacking energy: -142.242 Base-Backbone interact. energy: 1.279 local terms energy: -235.150342 where: bonds (distance) C4'-P energy: -63.136 bonds (distance) P-C4' energy: -76.061 flat angles C4'-P-C4' energy: -60.986 flat angles P-C4'-P energy: -30.910 tors. eta vs tors. theta energy: -4.057 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: 1, replica: 10 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1373.681084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.681084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.681084 (E_RNA) where: Base-Base interactions energy: -925.732 where: short stacking energy: -418.099 Base-Backbone interact. energy: -0.459 local terms energy: -447.489693 where: bonds (distance) C4'-P energy: -76.115 bonds (distance) P-C4' energy: -80.369 flat angles C4'-P-C4' energy: -91.375 flat angles P-C4'-P energy: -72.570 tors. eta vs tors. theta energy: -127.060 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: 7 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1312.574642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.574642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.574642 (E_RNA) where: Base-Base interactions energy: -886.944 where: short stacking energy: -391.642 Base-Backbone interact. energy: -0.008 local terms energy: -425.622554 where: bonds (distance) C4'-P energy: -76.146 bonds (distance) P-C4' energy: -80.156 flat angles C4'-P-C4' energy: -94.095 flat angles P-C4'-P energy: -63.835 tors. eta vs tors. theta energy: -111.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1197.947784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.947784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.947784 (E_RNA) where: Base-Base interactions energy: -791.886 where: short stacking energy: -371.634 Base-Backbone interact. energy: -1.930 local terms energy: -404.131563 where: bonds (distance) C4'-P energy: -81.718 bonds (distance) P-C4' energy: -73.780 flat angles C4'-P-C4' energy: -87.617 flat angles P-C4'-P energy: -57.637 tors. eta vs tors. theta energy: -103.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1167.437801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.437801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.437801 (E_RNA) where: Base-Base interactions energy: -780.818 where: short stacking energy: -365.394 Base-Backbone interact. energy: -1.566 local terms energy: -385.053237 where: bonds (distance) C4'-P energy: -75.091 bonds (distance) P-C4' energy: -78.610 flat angles C4'-P-C4' energy: -84.750 flat angles P-C4'-P energy: -42.752 tors. eta vs tors. theta energy: -103.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1004.202923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.202923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.202923 (E_RNA) where: Base-Base interactions energy: -651.772 where: short stacking energy: -306.907 Base-Backbone interact. energy: -2.284 local terms energy: -350.147277 where: bonds (distance) C4'-P energy: -73.621 bonds (distance) P-C4' energy: -73.641 flat angles C4'-P-C4' energy: -69.746 flat angles P-C4'-P energy: -52.844 tors. eta vs tors. theta energy: -80.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -828.655332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.655332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.655332 (E_RNA) where: Base-Base interactions energy: -506.963 where: short stacking energy: -251.023 Base-Backbone interact. energy: -2.206 local terms energy: -319.486397 where: bonds (distance) C4'-P energy: -61.875 bonds (distance) P-C4' energy: -81.246 flat angles C4'-P-C4' energy: -72.127 flat angles P-C4'-P energy: -50.579 tors. eta vs tors. theta energy: -53.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -684.352055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.352055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.352055 (E_RNA) where: Base-Base interactions energy: -392.529 where: short stacking energy: -223.748 Base-Backbone interact. energy: -0.879 local terms energy: -290.944105 where: bonds (distance) C4'-P energy: -69.070 bonds (distance) P-C4' energy: -75.981 flat angles C4'-P-C4' energy: -73.685 flat angles P-C4'-P energy: -33.151 tors. eta vs tors. theta energy: -39.057 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: 6 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -622.810696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.810696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.810696 (E_RNA) where: Base-Base interactions energy: -376.779 where: short stacking energy: -200.456 Base-Backbone interact. energy: 3.686 local terms energy: -249.717256 where: bonds (distance) C4'-P energy: -65.587 bonds (distance) P-C4' energy: -69.465 flat angles C4'-P-C4' energy: -66.976 flat angles P-C4'-P energy: -21.525 tors. eta vs tors. theta energy: -26.165 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: 8 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -530.742794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.742794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.742794 (E_RNA) where: Base-Base interactions energy: -283.727 where: short stacking energy: -178.754 Base-Backbone interact. energy: -1.613 local terms energy: -245.402591 where: bonds (distance) C4'-P energy: -61.069 bonds (distance) P-C4' energy: -64.216 flat angles C4'-P-C4' energy: -64.857 flat angles P-C4'-P energy: -35.399 tors. eta vs tors. theta energy: -19.862 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: 5 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -453.553601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.553601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.553601 (E_RNA) where: Base-Base interactions energy: -199.373 where: short stacking energy: -129.079 Base-Backbone interact. energy: 0.135 local terms energy: -254.315602 where: bonds (distance) C4'-P energy: -73.835 bonds (distance) P-C4' energy: -69.155 flat angles C4'-P-C4' energy: -71.059 flat angles P-C4'-P energy: -26.213 tors. eta vs tors. theta energy: -14.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1370.051987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.051987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.051987 (E_RNA) where: Base-Base interactions energy: -919.563 where: short stacking energy: -410.732 Base-Backbone interact. energy: 0.407 local terms energy: -450.895855 where: bonds (distance) C4'-P energy: -76.997 bonds (distance) P-C4' energy: -86.627 flat angles C4'-P-C4' energy: -94.709 flat angles P-C4'-P energy: -69.705 tors. eta vs tors. theta energy: -122.858 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: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1297.383648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.383648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.383648 (E_RNA) where: Base-Base interactions energy: -890.717 where: short stacking energy: -380.060 Base-Backbone interact. energy: -1.306 local terms energy: -405.360659 where: bonds (distance) C4'-P energy: -72.474 bonds (distance) P-C4' energy: -78.025 flat angles C4'-P-C4' energy: -87.926 flat angles P-C4'-P energy: -50.953 tors. eta vs tors. theta energy: -115.982 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: 2 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1209.607123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.607123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.607123 (E_RNA) where: Base-Base interactions energy: -833.664 where: short stacking energy: -374.999 Base-Backbone interact. energy: -2.498 local terms energy: -373.444309 where: bonds (distance) C4'-P energy: -69.557 bonds (distance) P-C4' energy: -70.617 flat angles C4'-P-C4' energy: -89.664 flat angles P-C4'-P energy: -46.281 tors. eta vs tors. theta energy: -97.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1161.568285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.568285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.568285 (E_RNA) where: Base-Base interactions energy: -780.419 where: short stacking energy: -356.179 Base-Backbone interact. energy: 0.891 local terms energy: -382.039807 where: bonds (distance) C4'-P energy: -68.299 bonds (distance) P-C4' energy: -75.617 flat angles C4'-P-C4' energy: -79.389 flat angles P-C4'-P energy: -50.864 tors. eta vs tors. theta energy: -107.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1008.321793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.321793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.321793 (E_RNA) where: Base-Base interactions energy: -624.999 where: short stacking energy: -303.800 Base-Backbone interact. energy: -0.804 local terms energy: -382.518635 where: bonds (distance) C4'-P energy: -76.293 bonds (distance) P-C4' energy: -73.764 flat angles C4'-P-C4' energy: -83.358 flat angles P-C4'-P energy: -53.918 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: 6, replica: 1 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -845.632747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.632747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.632747 (E_RNA) where: Base-Base interactions energy: -547.016 where: short stacking energy: -269.945 Base-Backbone interact. energy: -1.049 local terms energy: -297.568013 where: bonds (distance) C4'-P energy: -64.788 bonds (distance) P-C4' energy: -64.416 flat angles C4'-P-C4' energy: -77.747 flat angles P-C4'-P energy: -43.270 tors. eta vs tors. theta energy: -47.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -679.034570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.034570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.034570 (E_RNA) where: Base-Base interactions energy: -392.971 where: short stacking energy: -214.944 Base-Backbone interact. energy: -1.890 local terms energy: -284.173447 where: bonds (distance) C4'-P energy: -65.139 bonds (distance) P-C4' energy: -54.580 flat angles C4'-P-C4' energy: -71.387 flat angles P-C4'-P energy: -50.416 tors. eta vs tors. theta energy: -42.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -622.779801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.779801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.779801 (E_RNA) where: Base-Base interactions energy: -358.842 where: short stacking energy: -186.351 Base-Backbone interact. energy: -1.171 local terms energy: -262.766031 where: bonds (distance) C4'-P energy: -78.654 bonds (distance) P-C4' energy: -71.748 flat angles C4'-P-C4' energy: -66.342 flat angles P-C4'-P energy: -28.569 tors. eta vs tors. theta energy: -17.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -509.745870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.745870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.745870 (E_RNA) where: Base-Base interactions energy: -269.218 where: short stacking energy: -143.065 Base-Backbone interact. energy: -3.536 local terms energy: -236.991287 where: bonds (distance) C4'-P energy: -69.586 bonds (distance) P-C4' energy: -69.120 flat angles C4'-P-C4' energy: -56.892 flat angles P-C4'-P energy: -26.449 tors. eta vs tors. theta energy: -14.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -483.415449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.415449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.415449 (E_RNA) where: Base-Base interactions energy: -228.723 where: short stacking energy: -127.229 Base-Backbone interact. energy: -0.152 local terms energy: -254.540608 where: bonds (distance) C4'-P energy: -77.150 bonds (distance) P-C4' energy: -68.485 flat angles C4'-P-C4' energy: -78.027 flat angles P-C4'-P energy: -21.560 tors. eta vs tors. theta energy: -9.318 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: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1369.440072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.440072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.440072 (E_RNA) where: Base-Base interactions energy: -950.796 where: short stacking energy: -408.799 Base-Backbone interact. energy: -1.190 local terms energy: -417.453805 where: bonds (distance) C4'-P energy: -72.768 bonds (distance) P-C4' energy: -77.391 flat angles C4'-P-C4' energy: -82.430 flat angles P-C4'-P energy: -62.722 tors. eta vs tors. theta energy: -122.142 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: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1314.365853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.365853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.365853 (E_RNA) where: Base-Base interactions energy: -908.428 where: short stacking energy: -390.011 Base-Backbone interact. energy: -1.607 local terms energy: -404.331687 where: bonds (distance) C4'-P energy: -71.258 bonds (distance) P-C4' energy: -67.373 flat angles C4'-P-C4' energy: -82.189 flat angles P-C4'-P energy: -64.631 tors. eta vs tors. theta energy: -118.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1190.889275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.889275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.889275 (E_RNA) where: Base-Base interactions energy: -800.510 where: short stacking energy: -369.950 Base-Backbone interact. energy: -0.012 local terms energy: -390.367597 where: bonds (distance) C4'-P energy: -71.350 bonds (distance) P-C4' energy: -62.933 flat angles C4'-P-C4' energy: -80.935 flat angles P-C4'-P energy: -67.535 tors. eta vs tors. theta energy: -107.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1108.837903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.837903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.837903 (E_RNA) where: Base-Base interactions energy: -737.004 where: short stacking energy: -335.463 Base-Backbone interact. energy: 0.545 local terms energy: -372.379592 where: bonds (distance) C4'-P energy: -68.341 bonds (distance) P-C4' energy: -74.832 flat angles C4'-P-C4' energy: -79.071 flat angles P-C4'-P energy: -59.850 tors. eta vs tors. theta energy: -90.286 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: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1026.077912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.077912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.077912 (E_RNA) where: Base-Base interactions energy: -660.354 where: short stacking energy: -281.135 Base-Backbone interact. energy: -1.275 local terms energy: -364.448972 where: bonds (distance) C4'-P energy: -84.906 bonds (distance) P-C4' energy: -71.960 flat angles C4'-P-C4' energy: -83.021 flat angles P-C4'-P energy: -47.289 tors. eta vs tors. theta energy: -77.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -863.142003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.142003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.142003 (E_RNA) where: Base-Base interactions energy: -562.352 where: short stacking energy: -274.574 Base-Backbone interact. energy: 0.890 local terms energy: -301.680310 where: bonds (distance) C4'-P energy: -72.591 bonds (distance) P-C4' energy: -72.787 flat angles C4'-P-C4' energy: -65.002 flat angles P-C4'-P energy: -37.954 tors. eta vs tors. theta energy: -53.346 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: 239 Temperature: 1.200000 Total energy: -674.153529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.153529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.153529 (E_RNA) where: Base-Base interactions energy: -376.325 where: short stacking energy: -209.113 Base-Backbone interact. energy: 0.407 local terms energy: -298.235758 where: bonds (distance) C4'-P energy: -75.459 bonds (distance) P-C4' energy: -77.189 flat angles C4'-P-C4' energy: -67.908 flat angles P-C4'-P energy: -41.395 tors. eta vs tors. theta energy: -36.284 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: 6 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -595.872536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.872536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.872536 (E_RNA) where: Base-Base interactions energy: -352.776 where: short stacking energy: -187.699 Base-Backbone interact. energy: -0.620 local terms energy: -242.477182 where: bonds (distance) C4'-P energy: -69.908 bonds (distance) P-C4' energy: -64.793 flat angles C4'-P-C4' energy: -60.654 flat angles P-C4'-P energy: -20.965 tors. eta vs tors. theta energy: -26.157 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: 8 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -520.915590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.915590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.915590 (E_RNA) where: Base-Base interactions energy: -275.676 where: short stacking energy: -165.643 Base-Backbone interact. energy: 1.915 local terms energy: -247.154650 where: bonds (distance) C4'-P energy: -63.626 bonds (distance) P-C4' energy: -62.328 flat angles C4'-P-C4' energy: -65.175 flat angles P-C4'-P energy: -25.318 tors. eta vs tors. theta energy: -30.708 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: 5 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -412.660237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.660237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.660237 (E_RNA) where: Base-Base interactions energy: -193.548 where: short stacking energy: -120.094 Base-Backbone interact. energy: -0.386 local terms energy: -218.726149 where: bonds (distance) C4'-P energy: -59.070 bonds (distance) P-C4' energy: -78.216 flat angles C4'-P-C4' energy: -50.606 flat angles P-C4'-P energy: -37.374 tors. eta vs tors. theta energy: 6.540 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: 10 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1378.334126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.334126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.334126 (E_RNA) where: Base-Base interactions energy: -931.585 where: short stacking energy: -401.469 Base-Backbone interact. energy: -2.242 local terms energy: -444.507560 where: bonds (distance) C4'-P energy: -84.163 bonds (distance) P-C4' energy: -85.773 flat angles C4'-P-C4' energy: -98.190 flat angles P-C4'-P energy: -58.073 tors. eta vs tors. theta energy: -118.309 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: 2, replica: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1302.561223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.561223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.561223 (E_RNA) where: Base-Base interactions energy: -879.839 where: short stacking energy: -378.732 Base-Backbone interact. energy: -2.361 local terms energy: -420.361151 where: bonds (distance) C4'-P energy: -78.635 bonds (distance) P-C4' energy: -87.253 flat angles C4'-P-C4' energy: -84.071 flat angles P-C4'-P energy: -56.911 tors. eta vs tors. theta energy: -113.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1198.026852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.026852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.026852 (E_RNA) where: Base-Base interactions energy: -808.316 where: short stacking energy: -385.585 Base-Backbone interact. energy: -2.243 local terms energy: -387.467495 where: bonds (distance) C4'-P energy: -73.721 bonds (distance) P-C4' energy: -63.952 flat angles C4'-P-C4' energy: -87.066 flat angles P-C4'-P energy: -60.264 tors. eta vs tors. theta energy: -102.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1173.123598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.123598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.123598 (E_RNA) where: Base-Base interactions energy: -771.295 where: short stacking energy: -349.242 Base-Backbone interact. energy: -3.196 local terms energy: -398.632233 where: bonds (distance) C4'-P energy: -70.705 bonds (distance) P-C4' energy: -81.308 flat angles C4'-P-C4' energy: -90.695 flat angles P-C4'-P energy: -57.047 tors. eta vs tors. theta energy: -98.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1005.172878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.172878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.172878 (E_RNA) where: Base-Base interactions energy: -642.231 where: short stacking energy: -276.020 Base-Backbone interact. energy: 0.854 local terms energy: -363.796612 where: bonds (distance) C4'-P energy: -69.776 bonds (distance) P-C4' energy: -77.988 flat angles C4'-P-C4' energy: -80.704 flat angles P-C4'-P energy: -58.009 tors. eta vs tors. theta energy: -77.320 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: 240 Temperature: 1.150000 Total energy: -868.474355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.474355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.474355 (E_RNA) where: Base-Base interactions energy: -555.359 where: short stacking energy: -254.321 Base-Backbone interact. energy: -1.689 local terms energy: -311.426556 where: bonds (distance) C4'-P energy: -71.157 bonds (distance) P-C4' energy: -67.519 flat angles C4'-P-C4' energy: -75.113 flat angles P-C4'-P energy: -43.204 tors. eta vs tors. theta energy: -54.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -653.796294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.796294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.796294 (E_RNA) where: Base-Base interactions energy: -377.682 where: short stacking energy: -188.252 Base-Backbone interact. energy: 0.078 local terms energy: -276.192279 where: bonds (distance) C4'-P energy: -79.188 bonds (distance) P-C4' energy: -66.338 flat angles C4'-P-C4' energy: -66.130 flat angles P-C4'-P energy: -36.774 tors. eta vs tors. theta energy: -27.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -587.019142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.019142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.019142 (E_RNA) where: Base-Base interactions energy: -320.372 where: short stacking energy: -172.494 Base-Backbone interact. energy: -0.450 local terms energy: -266.196870 where: bonds (distance) C4'-P energy: -61.401 bonds (distance) P-C4' energy: -62.665 flat angles C4'-P-C4' energy: -63.303 flat angles P-C4'-P energy: -52.598 tors. eta vs tors. theta energy: -26.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -465.796280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.796280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.796280 (E_RNA) where: Base-Base interactions energy: -249.975 where: short stacking energy: -147.642 Base-Backbone interact. energy: 2.068 local terms energy: -217.889896 where: bonds (distance) C4'-P energy: -36.915 bonds (distance) P-C4' energy: -62.869 flat angles C4'-P-C4' energy: -72.971 flat angles P-C4'-P energy: -42.367 tors. eta vs tors. theta energy: -2.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -480.662605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.662605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.662605 (E_RNA) where: Base-Base interactions energy: -246.623 where: short stacking energy: -139.408 Base-Backbone interact. energy: -1.258 local terms energy: -232.781214 where: bonds (distance) C4'-P energy: -64.799 bonds (distance) P-C4' energy: -57.019 flat angles C4'-P-C4' energy: -61.144 flat angles P-C4'-P energy: -45.629 tors. eta vs tors. theta energy: -4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1371.810162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.810162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.810162 (E_RNA) where: Base-Base interactions energy: -933.658 where: short stacking energy: -424.372 Base-Backbone interact. energy: -0.985 local terms energy: -437.167797 where: bonds (distance) C4'-P energy: -86.124 bonds (distance) P-C4' energy: -77.543 flat angles C4'-P-C4' energy: -85.912 flat angles P-C4'-P energy: -64.882 tors. eta vs tors. theta energy: -122.708 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: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1339.626916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.626916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.626916 (E_RNA) where: Base-Base interactions energy: -902.219 where: short stacking energy: -392.013 Base-Backbone interact. energy: -1.313 local terms energy: -436.094686 where: bonds (distance) C4'-P energy: -82.449 bonds (distance) P-C4' energy: -82.309 flat angles C4'-P-C4' energy: -92.517 flat angles P-C4'-P energy: -57.368 tors. eta vs tors. theta energy: -121.453 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: 3, replica: 2 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1146.734726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.734726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.734726 (E_RNA) where: Base-Base interactions energy: -782.107 where: short stacking energy: -345.106 Base-Backbone interact. energy: -1.769 local terms energy: -362.859028 where: bonds (distance) C4'-P energy: -55.453 bonds (distance) P-C4' energy: -70.698 flat angles C4'-P-C4' energy: -78.432 flat angles P-C4'-P energy: -62.805 tors. eta vs tors. theta energy: -95.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1135.274481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.274481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.274481 (E_RNA) where: Base-Base interactions energy: -760.334 where: short stacking energy: -360.460 Base-Backbone interact. energy: -1.265 local terms energy: -373.675820 where: bonds (distance) C4'-P energy: -71.667 bonds (distance) P-C4' energy: -65.103 flat angles C4'-P-C4' energy: -78.892 flat angles P-C4'-P energy: -55.000 tors. eta vs tors. theta energy: -103.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -993.535874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.535874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.535874 (E_RNA) where: Base-Base interactions energy: -648.846 where: short stacking energy: -298.174 Base-Backbone interact. energy: -0.639 local terms energy: -344.051356 where: bonds (distance) C4'-P energy: -68.323 bonds (distance) P-C4' energy: -82.331 flat angles C4'-P-C4' energy: -69.029 flat angles P-C4'-P energy: -49.962 tors. eta vs tors. theta energy: -74.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -877.520239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.520239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.520239 (E_RNA) where: Base-Base interactions energy: -549.712 where: short stacking energy: -270.826 Base-Backbone interact. energy: -0.856 local terms energy: -326.952148 where: bonds (distance) C4'-P energy: -58.008 bonds (distance) P-C4' energy: -82.903 flat angles C4'-P-C4' energy: -69.363 flat angles P-C4'-P energy: -49.020 tors. eta vs tors. theta energy: -67.658 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: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -657.781221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.781221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.781221 (E_RNA) where: Base-Base interactions energy: -385.316 where: short stacking energy: -198.735 Base-Backbone interact. energy: -0.341 local terms energy: -272.124180 where: bonds (distance) C4'-P energy: -63.722 bonds (distance) P-C4' energy: -67.437 flat angles C4'-P-C4' energy: -64.075 flat angles P-C4'-P energy: -44.665 tors. eta vs tors. theta energy: -32.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -551.096528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.096528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.096528 (E_RNA) where: Base-Base interactions energy: -276.176 where: short stacking energy: -184.052 Base-Backbone interact. energy: 0.545 local terms energy: -275.466083 where: bonds (distance) C4'-P energy: -62.952 bonds (distance) P-C4' energy: -64.455 flat angles C4'-P-C4' energy: -65.651 flat angles P-C4'-P energy: -43.639 tors. eta vs tors. theta energy: -38.769 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: 3 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -570.702891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.702891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.702891 (E_RNA) where: Base-Base interactions energy: -312.620 where: short stacking energy: -168.172 Base-Backbone interact. energy: -0.349 local terms energy: -257.733811 where: bonds (distance) C4'-P energy: -67.603 bonds (distance) P-C4' energy: -72.988 flat angles C4'-P-C4' energy: -59.179 flat angles P-C4'-P energy: -40.258 tors. eta vs tors. theta energy: -17.705 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: 241 Temperature: 1.350000 Total energy: -462.868157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.868157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.868157 (E_RNA) where: Base-Base interactions energy: -246.403 where: short stacking energy: -128.560 Base-Backbone interact. energy: 0.633 local terms energy: -217.098469 where: bonds (distance) C4'-P energy: -58.031 bonds (distance) P-C4' energy: -63.154 flat angles C4'-P-C4' energy: -65.508 flat angles P-C4'-P energy: -24.735 tors. eta vs tors. theta energy: -5.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1369.989110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.989110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.989110 (E_RNA) where: Base-Base interactions energy: -933.997 where: short stacking energy: -417.408 Base-Backbone interact. energy: 0.174 local terms energy: -436.166292 where: bonds (distance) C4'-P energy: -72.775 bonds (distance) P-C4' energy: -83.523 flat angles C4'-P-C4' energy: -87.132 flat angles P-C4'-P energy: -62.920 tors. eta vs tors. theta energy: -129.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1315.466313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.466313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.466313 (E_RNA) where: Base-Base interactions energy: -890.445 where: short stacking energy: -385.840 Base-Backbone interact. energy: -1.871 local terms energy: -423.150198 where: bonds (distance) C4'-P energy: -79.187 bonds (distance) P-C4' energy: -81.089 flat angles C4'-P-C4' energy: -89.072 flat angles P-C4'-P energy: -58.342 tors. eta vs tors. theta energy: -115.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1168.474619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.474619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.474619 (E_RNA) where: Base-Base interactions energy: -786.577 where: short stacking energy: -340.221 Base-Backbone interact. energy: -3.425 local terms energy: -378.472670 where: bonds (distance) C4'-P energy: -75.386 bonds (distance) P-C4' energy: -68.473 flat angles C4'-P-C4' energy: -85.732 flat angles P-C4'-P energy: -53.788 tors. eta vs tors. theta energy: -95.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1130.415677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.415677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.415677 (E_RNA) where: Base-Base interactions energy: -736.710 where: short stacking energy: -341.190 Base-Backbone interact. energy: -0.196 local terms energy: -393.509744 where: bonds (distance) C4'-P energy: -77.432 bonds (distance) P-C4' energy: -80.926 flat angles C4'-P-C4' energy: -89.855 flat angles P-C4'-P energy: -50.755 tors. eta vs tors. theta energy: -94.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -944.964785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.964785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.964785 (E_RNA) where: Base-Base interactions energy: -607.716 where: short stacking energy: -283.833 Base-Backbone interact. energy: 1.075 local terms energy: -338.323517 where: bonds (distance) C4'-P energy: -87.274 bonds (distance) P-C4' energy: -70.075 flat angles C4'-P-C4' energy: -63.081 flat angles P-C4'-P energy: -41.000 tors. eta vs tors. theta energy: -76.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -852.806401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.806401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.806401 (E_RNA) where: Base-Base interactions energy: -550.441 where: short stacking energy: -236.615 Base-Backbone interact. energy: 2.690 local terms energy: -305.055127 where: bonds (distance) C4'-P energy: -70.398 bonds (distance) P-C4' energy: -60.982 flat angles C4'-P-C4' energy: -77.384 flat angles P-C4'-P energy: -43.258 tors. eta vs tors. theta energy: -53.032 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: 6 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -675.811805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.811805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.811805 (E_RNA) where: Base-Base interactions energy: -380.193 where: short stacking energy: -193.772 Base-Backbone interact. energy: -1.650 local terms energy: -293.969228 where: bonds (distance) C4'-P energy: -76.154 bonds (distance) P-C4' energy: -85.585 flat angles C4'-P-C4' energy: -66.745 flat angles P-C4'-P energy: -42.599 tors. eta vs tors. theta energy: -22.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -536.748907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.748907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.748907 (E_RNA) where: Base-Base interactions energy: -266.282 where: short stacking energy: -145.522 Base-Backbone interact. energy: 1.234 local terms energy: -271.700710 where: bonds (distance) C4'-P energy: -70.707 bonds (distance) P-C4' energy: -71.797 flat angles C4'-P-C4' energy: -71.209 flat angles P-C4'-P energy: -45.725 tors. eta vs tors. theta energy: -12.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -574.298456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.298456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.298456 (E_RNA) where: Base-Base interactions energy: -295.083 where: short stacking energy: -166.540 Base-Backbone interact. energy: 1.178 local terms energy: -280.394230 where: bonds (distance) C4'-P energy: -64.483 bonds (distance) P-C4' energy: -71.154 flat angles C4'-P-C4' energy: -74.278 flat angles P-C4'-P energy: -30.411 tors. eta vs tors. theta energy: -40.069 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: 8 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -492.565760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.565760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.565760 (E_RNA) where: Base-Base interactions energy: -263.164 where: short stacking energy: -137.479 Base-Backbone interact. energy: -1.685 local terms energy: -227.716871 where: bonds (distance) C4'-P energy: -56.697 bonds (distance) P-C4' energy: -81.517 flat angles C4'-P-C4' energy: -55.647 flat angles P-C4'-P energy: -30.888 tors. eta vs tors. theta energy: -2.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1359.814527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.814527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.814527 (E_RNA) where: Base-Base interactions energy: -914.231 where: short stacking energy: -404.249 Base-Backbone interact. energy: -0.655 local terms energy: -444.928516 where: bonds (distance) C4'-P energy: -82.567 bonds (distance) P-C4' energy: -80.638 flat angles C4'-P-C4' energy: -92.486 flat angles P-C4'-P energy: -59.254 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: 2, replica: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1312.214480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.214480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.214480 (E_RNA) where: Base-Base interactions energy: -899.496 where: short stacking energy: -379.660 Base-Backbone interact. energy: -0.533 local terms energy: -412.185785 where: bonds (distance) C4'-P energy: -84.146 bonds (distance) P-C4' energy: -73.817 flat angles C4'-P-C4' energy: -89.865 flat angles P-C4'-P energy: -55.092 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: 3, replica: 2 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1185.733484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.733484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.733484 (E_RNA) where: Base-Base interactions energy: -796.277 where: short stacking energy: -368.641 Base-Backbone interact. energy: -2.875 local terms energy: -386.580895 where: bonds (distance) C4'-P energy: -58.587 bonds (distance) P-C4' energy: -71.328 flat angles C4'-P-C4' energy: -84.663 flat angles P-C4'-P energy: -64.003 tors. eta vs tors. theta energy: -107.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1111.900684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.900684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.900684 (E_RNA) where: Base-Base interactions energy: -732.525 where: short stacking energy: -336.221 Base-Backbone interact. energy: -0.480 local terms energy: -378.895265 where: bonds (distance) C4'-P energy: -66.267 bonds (distance) P-C4' energy: -83.806 flat angles C4'-P-C4' energy: -84.756 flat angles P-C4'-P energy: -50.288 tors. eta vs tors. theta energy: -93.779 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: 4 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -965.157186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.157186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.157186 (E_RNA) where: Base-Base interactions energy: -599.991 where: short stacking energy: -281.409 Base-Backbone interact. energy: -1.266 local terms energy: -363.899545 where: bonds (distance) C4'-P energy: -70.755 bonds (distance) P-C4' energy: -78.745 flat angles C4'-P-C4' energy: -85.228 flat angles P-C4'-P energy: -49.191 tors. eta vs tors. theta energy: -79.981 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: 1 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -903.052242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.052242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.052242 (E_RNA) where: Base-Base interactions energy: -567.445 where: short stacking energy: -267.920 Base-Backbone interact. energy: -0.926 local terms energy: -334.680665 where: bonds (distance) C4'-P energy: -61.839 bonds (distance) P-C4' energy: -67.087 flat angles C4'-P-C4' energy: -76.245 flat angles P-C4'-P energy: -52.975 tors. eta vs tors. theta energy: -76.534 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: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -664.647356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.647356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.647356 (E_RNA) where: Base-Base interactions energy: -394.739 where: short stacking energy: -193.110 Base-Backbone interact. energy: -1.772 local terms energy: -268.136131 where: bonds (distance) C4'-P energy: -52.467 bonds (distance) P-C4' energy: -85.081 flat angles C4'-P-C4' energy: -73.341 flat angles P-C4'-P energy: -26.343 tors. eta vs tors. theta energy: -30.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -591.040338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.040338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.040338 (E_RNA) where: Base-Base interactions energy: -336.460 where: short stacking energy: -207.121 Base-Backbone interact. energy: 0.875 local terms energy: -255.454759 where: bonds (distance) C4'-P energy: -65.397 bonds (distance) P-C4' energy: -50.888 flat angles C4'-P-C4' energy: -62.517 flat angles P-C4'-P energy: -34.316 tors. eta vs tors. theta energy: -42.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -528.861467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.861467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.861467 (E_RNA) where: Base-Base interactions energy: -264.959 where: short stacking energy: -161.053 Base-Backbone interact. energy: 0.835 local terms energy: -264.737139 where: bonds (distance) C4'-P energy: -71.879 bonds (distance) P-C4' energy: -77.951 flat angles C4'-P-C4' energy: -49.099 flat angles P-C4'-P energy: -45.470 tors. eta vs tors. theta energy: -20.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -468.975134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.975134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.975134 (E_RNA) where: Base-Base interactions energy: -228.044 where: short stacking energy: -132.799 Base-Backbone interact. energy: 0.564 local terms energy: -241.494535 where: bonds (distance) C4'-P energy: -49.322 bonds (distance) P-C4' energy: -73.908 flat angles C4'-P-C4' energy: -66.778 flat angles P-C4'-P energy: -46.517 tors. eta vs tors. theta energy: -4.969 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: 10 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1363.985318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.985318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.985318 (E_RNA) where: Base-Base interactions energy: -927.422 where: short stacking energy: -413.381 Base-Backbone interact. energy: 0.309 local terms energy: -436.872926 where: bonds (distance) C4'-P energy: -81.729 bonds (distance) P-C4' energy: -74.185 flat angles C4'-P-C4' energy: -89.047 flat angles P-C4'-P energy: -59.754 tors. eta vs tors. theta energy: -132.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1292.782746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.782746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.782746 (E_RNA) where: Base-Base interactions energy: -862.879 where: short stacking energy: -390.464 Base-Backbone interact. energy: -0.973 local terms energy: -428.930878 where: bonds (distance) C4'-P energy: -75.165 bonds (distance) P-C4' energy: -83.218 flat angles C4'-P-C4' energy: -96.041 flat angles P-C4'-P energy: -58.424 tors. eta vs tors. theta energy: -116.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1198.167830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.167830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.167830 (E_RNA) where: Base-Base interactions energy: -785.084 where: short stacking energy: -361.173 Base-Backbone interact. energy: -2.646 local terms energy: -410.438383 where: bonds (distance) C4'-P energy: -82.972 bonds (distance) P-C4' energy: -87.637 flat angles C4'-P-C4' energy: -81.982 flat angles P-C4'-P energy: -58.618 tors. eta vs tors. theta energy: -99.229 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: 9 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1105.956710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.956710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.956710 (E_RNA) where: Base-Base interactions energy: -729.422 where: short stacking energy: -328.109 Base-Backbone interact. energy: 1.366 local terms energy: -377.901381 where: bonds (distance) C4'-P energy: -75.184 bonds (distance) P-C4' energy: -76.840 flat angles C4'-P-C4' energy: -87.786 flat angles P-C4'-P energy: -44.201 tors. eta vs tors. theta energy: -93.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -961.654271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.654271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.654271 (E_RNA) where: Base-Base interactions energy: -612.654 where: short stacking energy: -281.107 Base-Backbone interact. energy: -0.051 local terms energy: -348.949548 where: bonds (distance) C4'-P energy: -63.794 bonds (distance) P-C4' energy: -72.945 flat angles C4'-P-C4' energy: -79.886 flat angles P-C4'-P energy: -47.581 tors. eta vs tors. theta energy: -84.744 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: 1 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -879.269124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.269124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.269124 (E_RNA) where: Base-Base interactions energy: -555.590 where: short stacking energy: -261.766 Base-Backbone interact. energy: -1.331 local terms energy: -322.348089 where: bonds (distance) C4'-P energy: -68.910 bonds (distance) P-C4' energy: -71.318 flat angles C4'-P-C4' energy: -75.833 flat angles P-C4'-P energy: -40.384 tors. eta vs tors. theta energy: -65.903 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: 244 Temperature: 1.200000 Total energy: -613.966455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.966455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.966455 (E_RNA) where: Base-Base interactions energy: -338.963 where: short stacking energy: -194.549 Base-Backbone interact. energy: -0.902 local terms energy: -274.101857 where: bonds (distance) C4'-P energy: -63.805 bonds (distance) P-C4' energy: -70.690 flat angles C4'-P-C4' energy: -59.004 flat angles P-C4'-P energy: -54.946 tors. eta vs tors. theta energy: -25.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -665.230241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.230241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.230241 (E_RNA) where: Base-Base interactions energy: -368.776 where: short stacking energy: -203.438 Base-Backbone interact. energy: -1.279 local terms energy: -295.175275 where: bonds (distance) C4'-P energy: -59.099 bonds (distance) P-C4' energy: -76.428 flat angles C4'-P-C4' energy: -78.946 flat angles P-C4'-P energy: -46.675 tors. eta vs tors. theta energy: -34.027 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: 244 Temperature: 1.300000 Total energy: -485.853985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.853985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.853985 (E_RNA) where: Base-Base interactions energy: -241.766 where: short stacking energy: -150.008 Base-Backbone interact. energy: 0.080 local terms energy: -244.168479 where: bonds (distance) C4'-P energy: -48.335 bonds (distance) P-C4' energy: -79.737 flat angles C4'-P-C4' energy: -61.522 flat angles P-C4'-P energy: -39.070 tors. eta vs tors. theta energy: -15.505 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: 10, replica: 5 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -473.187784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.187784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.187784 (E_RNA) where: Base-Base interactions energy: -250.567 where: short stacking energy: -146.159 Base-Backbone interact. energy: -1.185 local terms energy: -221.436353 where: bonds (distance) C4'-P energy: -52.413 bonds (distance) P-C4' energy: -67.360 flat angles C4'-P-C4' energy: -63.511 flat angles P-C4'-P energy: -21.828 tors. eta vs tors. theta energy: -16.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1402.390640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.390640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.390640 (E_RNA) where: Base-Base interactions energy: -933.161 where: short stacking energy: -419.903 Base-Backbone interact. energy: -1.112 local terms energy: -468.117085 where: bonds (distance) C4'-P energy: -79.650 bonds (distance) P-C4' energy: -83.860 flat angles C4'-P-C4' energy: -103.020 flat angles P-C4'-P energy: -68.779 tors. eta vs tors. theta energy: -132.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1288.890143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.890143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.890143 (E_RNA) where: Base-Base interactions energy: -884.927 where: short stacking energy: -359.869 Base-Backbone interact. energy: 0.174 local terms energy: -404.136735 where: bonds (distance) C4'-P energy: -70.666 bonds (distance) P-C4' energy: -80.661 flat angles C4'-P-C4' energy: -88.931 flat angles P-C4'-P energy: -58.604 tors. eta vs tors. theta energy: -105.274 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: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1197.578382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.578382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.578382 (E_RNA) where: Base-Base interactions energy: -790.335 where: short stacking energy: -362.741 Base-Backbone interact. energy: -1.496 local terms energy: -405.747713 where: bonds (distance) C4'-P energy: -74.035 bonds (distance) P-C4' energy: -83.297 flat angles C4'-P-C4' energy: -83.296 flat angles P-C4'-P energy: -60.294 tors. eta vs tors. theta energy: -104.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1108.863389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.863389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.863389 (E_RNA) where: Base-Base interactions energy: -728.952 where: short stacking energy: -334.634 Base-Backbone interact. energy: -1.499 local terms energy: -378.412172 where: bonds (distance) C4'-P energy: -69.333 bonds (distance) P-C4' energy: -66.306 flat angles C4'-P-C4' energy: -92.250 flat angles P-C4'-P energy: -56.358 tors. eta vs tors. theta energy: -94.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -944.430667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.430667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.430667 (E_RNA) where: Base-Base interactions energy: -595.099 where: short stacking energy: -266.142 Base-Backbone interact. energy: -2.343 local terms energy: -346.987980 where: bonds (distance) C4'-P energy: -75.920 bonds (distance) P-C4' energy: -68.007 flat angles C4'-P-C4' energy: -77.976 flat angles P-C4'-P energy: -49.871 tors. eta vs tors. theta energy: -75.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -830.233785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.233785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.233785 (E_RNA) where: Base-Base interactions energy: -492.128 where: short stacking energy: -252.621 Base-Backbone interact. energy: -0.247 local terms energy: -337.858844 where: bonds (distance) C4'-P energy: -72.784 bonds (distance) P-C4' energy: -67.783 flat angles C4'-P-C4' energy: -81.697 flat angles P-C4'-P energy: -64.079 tors. eta vs tors. theta energy: -51.515 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: 245 Temperature: 1.200000 Total energy: -661.121914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.121914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.121914 (E_RNA) where: Base-Base interactions energy: -354.522 where: short stacking energy: -194.238 Base-Backbone interact. energy: -1.616 local terms energy: -304.983001 where: bonds (distance) C4'-P energy: -74.688 bonds (distance) P-C4' energy: -75.634 flat angles C4'-P-C4' energy: -66.611 flat angles P-C4'-P energy: -45.238 tors. eta vs tors. theta energy: -42.812 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: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -617.976133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.976133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.976133 (E_RNA) where: Base-Base interactions energy: -351.218 where: short stacking energy: -192.523 Base-Backbone interact. energy: 0.917 local terms energy: -267.675700 where: bonds (distance) C4'-P energy: -60.796 bonds (distance) P-C4' energy: -82.998 flat angles C4'-P-C4' energy: -65.720 flat angles P-C4'-P energy: -31.045 tors. eta vs tors. theta energy: -27.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -501.188377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.188377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.188377 (E_RNA) where: Base-Base interactions energy: -249.267 where: short stacking energy: -162.226 Base-Backbone interact. energy: -2.080 local terms energy: -249.841823 where: bonds (distance) C4'-P energy: -50.681 bonds (distance) P-C4' energy: -68.820 flat angles C4'-P-C4' energy: -56.339 flat angles P-C4'-P energy: -49.909 tors. eta vs tors. theta energy: -24.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -475.248841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.248841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.248841 (E_RNA) where: Base-Base interactions energy: -235.869 where: short stacking energy: -134.633 Base-Backbone interact. energy: -0.166 local terms energy: -239.214044 where: bonds (distance) C4'-P energy: -70.578 bonds (distance) P-C4' energy: -64.182 flat angles C4'-P-C4' energy: -53.898 flat angles P-C4'-P energy: -35.253 tors. eta vs tors. theta energy: -15.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1382.267723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.267723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.267723 (E_RNA) where: Base-Base interactions energy: -915.506 where: short stacking energy: -432.690 Base-Backbone interact. energy: -2.657 local terms energy: -464.104764 where: bonds (distance) C4'-P energy: -90.527 bonds (distance) P-C4' energy: -81.176 flat angles C4'-P-C4' energy: -90.517 flat angles P-C4'-P energy: -68.440 tors. eta vs tors. theta energy: -133.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1300.340797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.340797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.340797 (E_RNA) where: Base-Base interactions energy: -891.565 where: short stacking energy: -381.643 Base-Backbone interact. energy: -2.344 local terms energy: -406.432314 where: bonds (distance) C4'-P energy: -84.505 bonds (distance) P-C4' energy: -74.336 flat angles C4'-P-C4' energy: -82.935 flat angles P-C4'-P energy: -55.438 tors. eta vs tors. theta energy: -109.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1196.680254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.680254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.680254 (E_RNA) where: Base-Base interactions energy: -800.693 where: short stacking energy: -363.737 Base-Backbone interact. energy: -1.597 local terms energy: -394.390095 where: bonds (distance) C4'-P energy: -83.979 bonds (distance) P-C4' energy: -78.944 flat angles C4'-P-C4' energy: -79.568 flat angles P-C4'-P energy: -54.390 tors. eta vs tors. theta energy: -97.510 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: 9 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1134.865816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.865816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.865816 (E_RNA) where: Base-Base interactions energy: -723.291 where: short stacking energy: -326.675 Base-Backbone interact. energy: -1.040 local terms energy: -410.534716 where: bonds (distance) C4'-P energy: -78.856 bonds (distance) P-C4' energy: -82.169 flat angles C4'-P-C4' energy: -90.527 flat angles P-C4'-P energy: -53.607 tors. eta vs tors. theta energy: -105.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -969.610115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.610115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.610115 (E_RNA) where: Base-Base interactions energy: -612.645 where: short stacking energy: -279.006 Base-Backbone interact. energy: -1.035 local terms energy: -355.929523 where: bonds (distance) C4'-P energy: -70.386 bonds (distance) P-C4' energy: -74.152 flat angles C4'-P-C4' energy: -75.206 flat angles P-C4'-P energy: -57.841 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: 6, replica: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -864.356599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.356599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.356599 (E_RNA) where: Base-Base interactions energy: -531.289 where: short stacking energy: -243.096 Base-Backbone interact. energy: -4.349 local terms energy: -328.718419 where: bonds (distance) C4'-P energy: -64.677 bonds (distance) P-C4' energy: -73.469 flat angles C4'-P-C4' energy: -80.410 flat angles P-C4'-P energy: -49.549 tors. eta vs tors. theta energy: -60.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -654.730319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.730319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.730319 (E_RNA) where: Base-Base interactions energy: -370.021 where: short stacking energy: -192.402 Base-Backbone interact. energy: -0.383 local terms energy: -284.326454 where: bonds (distance) C4'-P energy: -62.900 bonds (distance) P-C4' energy: -70.688 flat angles C4'-P-C4' energy: -67.971 flat angles P-C4'-P energy: -47.585 tors. eta vs tors. theta energy: -35.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -572.252554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.252554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.252554 (E_RNA) where: Base-Base interactions energy: -325.866 where: short stacking energy: -151.984 Base-Backbone interact. energy: -2.358 local terms energy: -244.027584 where: bonds (distance) C4'-P energy: -70.689 bonds (distance) P-C4' energy: -61.372 flat angles C4'-P-C4' energy: -61.976 flat angles P-C4'-P energy: -32.628 tors. eta vs tors. theta energy: -17.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -502.812076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.812076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.812076 (E_RNA) where: Base-Base interactions energy: -240.810 where: short stacking energy: -137.608 Base-Backbone interact. energy: 0.786 local terms energy: -262.788054 where: bonds (distance) C4'-P energy: -76.286 bonds (distance) P-C4' energy: -60.255 flat angles C4'-P-C4' energy: -75.444 flat angles P-C4'-P energy: -31.470 tors. eta vs tors. theta energy: -19.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -464.436545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.436545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.436545 (E_RNA) where: Base-Base interactions energy: -211.698 where: short stacking energy: -129.147 Base-Backbone interact. energy: 3.001 local terms energy: -255.739329 where: bonds (distance) C4'-P energy: -73.299 bonds (distance) P-C4' energy: -70.462 flat angles C4'-P-C4' energy: -67.122 flat angles P-C4'-P energy: -28.909 tors. eta vs tors. theta energy: -15.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1347.516800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.516800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.516800 (E_RNA) where: Base-Base interactions energy: -921.858 where: short stacking energy: -407.941 Base-Backbone interact. energy: 0.681 local terms energy: -426.339462 where: bonds (distance) C4'-P energy: -78.012 bonds (distance) P-C4' energy: -74.471 flat angles C4'-P-C4' energy: -84.963 flat angles P-C4'-P energy: -64.223 tors. eta vs tors. theta energy: -124.671 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: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1310.287107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.287107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.287107 (E_RNA) where: Base-Base interactions energy: -889.821 where: short stacking energy: -384.940 Base-Backbone interact. energy: -1.423 local terms energy: -419.042744 where: bonds (distance) C4'-P energy: -78.020 bonds (distance) P-C4' energy: -78.823 flat angles C4'-P-C4' energy: -83.599 flat angles P-C4'-P energy: -65.022 tors. eta vs tors. theta energy: -113.579 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: 2 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1187.312292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.312292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.312292 (E_RNA) where: Base-Base interactions energy: -779.611 where: short stacking energy: -354.443 Base-Backbone interact. energy: -1.826 local terms energy: -405.876041 where: bonds (distance) C4'-P energy: -73.062 bonds (distance) P-C4' energy: -81.174 flat angles C4'-P-C4' energy: -81.215 flat angles P-C4'-P energy: -57.675 tors. eta vs tors. theta energy: -112.749 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: 9 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1071.216058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.216058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.216058 (E_RNA) where: Base-Base interactions energy: -693.811 where: short stacking energy: -326.779 Base-Backbone interact. energy: -1.140 local terms energy: -376.265354 where: bonds (distance) C4'-P energy: -84.244 bonds (distance) P-C4' energy: -82.758 flat angles C4'-P-C4' energy: -75.993 flat angles P-C4'-P energy: -38.579 tors. eta vs tors. theta energy: -94.692 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: 4 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -975.501017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.501017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.501017 (E_RNA) where: Base-Base interactions energy: -627.180 where: short stacking energy: -296.953 Base-Backbone interact. energy: 2.176 local terms energy: -350.496834 where: bonds (distance) C4'-P energy: -69.142 bonds (distance) P-C4' energy: -79.996 flat angles C4'-P-C4' energy: -74.820 flat angles P-C4'-P energy: -49.333 tors. eta vs tors. theta energy: -77.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -834.134788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.134788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.134788 (E_RNA) where: Base-Base interactions energy: -482.075 where: short stacking energy: -254.805 Base-Backbone interact. energy: -1.134 local terms energy: -350.926314 where: bonds (distance) C4'-P energy: -77.152 bonds (distance) P-C4' energy: -80.019 flat angles C4'-P-C4' energy: -85.571 flat angles P-C4'-P energy: -41.142 tors. eta vs tors. theta energy: -67.042 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: 247 Temperature: 1.200000 Total energy: -680.697503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.697503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.697503 (E_RNA) where: Base-Base interactions energy: -396.237 where: short stacking energy: -208.376 Base-Backbone interact. energy: -0.941 local terms energy: -283.519942 where: bonds (distance) C4'-P energy: -61.483 bonds (distance) P-C4' energy: -75.693 flat angles C4'-P-C4' energy: -59.031 flat angles P-C4'-P energy: -49.246 tors. eta vs tors. theta energy: -38.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -583.039046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.039046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.039046 (E_RNA) where: Base-Base interactions energy: -307.740 where: short stacking energy: -145.976 Base-Backbone interact. energy: -2.078 local terms energy: -273.221305 where: bonds (distance) C4'-P energy: -64.300 bonds (distance) P-C4' energy: -76.241 flat angles C4'-P-C4' energy: -58.908 flat angles P-C4'-P energy: -38.950 tors. eta vs tors. theta energy: -34.822 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: 5 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -464.425319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.425319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.425319 (E_RNA) where: Base-Base interactions energy: -216.566 where: short stacking energy: -123.214 Base-Backbone interact. energy: -1.984 local terms energy: -245.875228 where: bonds (distance) C4'-P energy: -73.578 bonds (distance) P-C4' energy: -78.749 flat angles C4'-P-C4' energy: -48.795 flat angles P-C4'-P energy: -30.826 tors. eta vs tors. theta energy: -13.927 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: 247 Temperature: 1.350000 Total energy: -461.078448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.078448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.078448 (E_RNA) where: Base-Base interactions energy: -230.536 where: short stacking energy: -121.422 Base-Backbone interact. energy: -1.662 local terms energy: -228.880289 where: bonds (distance) C4'-P energy: -56.531 bonds (distance) P-C4' energy: -71.099 flat angles C4'-P-C4' energy: -71.028 flat angles P-C4'-P energy: -25.030 tors. eta vs tors. theta energy: -5.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1353.221491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.221491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.221491 (E_RNA) where: Base-Base interactions energy: -928.928 where: short stacking energy: -424.140 Base-Backbone interact. energy: -0.805 local terms energy: -423.489244 where: bonds (distance) C4'-P energy: -74.863 bonds (distance) P-C4' energy: -60.737 flat angles C4'-P-C4' energy: -97.155 flat angles P-C4'-P energy: -54.006 tors. eta vs tors. theta energy: -136.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1308.044985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.044985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.044985 (E_RNA) where: Base-Base interactions energy: -896.338 where: short stacking energy: -364.006 Base-Backbone interact. energy: -3.113 local terms energy: -408.593122 where: bonds (distance) C4'-P energy: -70.842 bonds (distance) P-C4' energy: -70.478 flat angles C4'-P-C4' energy: -97.611 flat angles P-C4'-P energy: -55.612 tors. eta vs tors. theta energy: -114.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1166.575776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.575776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.575776 (E_RNA) where: Base-Base interactions energy: -763.855 where: short stacking energy: -334.803 Base-Backbone interact. energy: -3.057 local terms energy: -399.664112 where: bonds (distance) C4'-P energy: -78.480 bonds (distance) P-C4' energy: -83.114 flat angles C4'-P-C4' energy: -86.993 flat angles P-C4'-P energy: -51.167 tors. eta vs tors. theta energy: -99.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1087.157854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.157854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.157854 (E_RNA) where: Base-Base interactions energy: -720.323 where: short stacking energy: -355.518 Base-Backbone interact. energy: 1.338 local terms energy: -368.173153 where: bonds (distance) C4'-P energy: -65.648 bonds (distance) P-C4' energy: -71.614 flat angles C4'-P-C4' energy: -78.988 flat angles P-C4'-P energy: -63.897 tors. eta vs tors. theta energy: -88.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -953.906634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.906634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.906634 (E_RNA) where: Base-Base interactions energy: -605.252 where: short stacking energy: -296.652 Base-Backbone interact. energy: 0.139 local terms energy: -348.793497 where: bonds (distance) C4'-P energy: -69.744 bonds (distance) P-C4' energy: -75.361 flat angles C4'-P-C4' energy: -70.417 flat angles P-C4'-P energy: -56.794 tors. eta vs tors. theta energy: -76.478 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: 1 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -798.025204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.025204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.025204 (E_RNA) where: Base-Base interactions energy: -483.742 where: short stacking energy: -253.177 Base-Backbone interact. energy: 0.155 local terms energy: -314.438488 where: bonds (distance) C4'-P energy: -55.583 bonds (distance) P-C4' energy: -78.489 flat angles C4'-P-C4' energy: -74.261 flat angles P-C4'-P energy: -44.952 tors. eta vs tors. theta energy: -61.153 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: 248 Temperature: 1.200000 Total energy: -665.332784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.332784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.332784 (E_RNA) where: Base-Base interactions energy: -364.692 where: short stacking energy: -192.529 Base-Backbone interact. energy: -1.550 local terms energy: -299.091349 where: bonds (distance) C4'-P energy: -61.863 bonds (distance) P-C4' energy: -74.228 flat angles C4'-P-C4' energy: -83.476 flat angles P-C4'-P energy: -34.740 tors. eta vs tors. theta energy: -44.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -601.010738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.010738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.010738 (E_RNA) where: Base-Base interactions energy: -337.219 where: short stacking energy: -172.315 Base-Backbone interact. energy: -0.380 local terms energy: -263.412438 where: bonds (distance) C4'-P energy: -63.561 bonds (distance) P-C4' energy: -69.923 flat angles C4'-P-C4' energy: -71.029 flat angles P-C4'-P energy: -33.768 tors. eta vs tors. theta energy: -25.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -502.898346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.898346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.898346 (E_RNA) where: Base-Base interactions energy: -261.616 where: short stacking energy: -156.672 Base-Backbone interact. energy: -1.276 local terms energy: -240.006236 where: bonds (distance) C4'-P energy: -51.050 bonds (distance) P-C4' energy: -75.180 flat angles C4'-P-C4' energy: -60.937 flat angles P-C4'-P energy: -38.632 tors. eta vs tors. theta energy: -14.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -420.674140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.674140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.674140 (E_RNA) where: Base-Base interactions energy: -191.930 where: short stacking energy: -104.901 Base-Backbone interact. energy: 1.242 local terms energy: -229.986184 where: bonds (distance) C4'-P energy: -67.754 bonds (distance) P-C4' energy: -82.411 flat angles C4'-P-C4' energy: -62.604 flat angles P-C4'-P energy: -23.798 tors. eta vs tors. theta energy: 6.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1381.886367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.886367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.886367 (E_RNA) where: Base-Base interactions energy: -921.535 where: short stacking energy: -429.012 Base-Backbone interact. energy: -1.351 local terms energy: -459.000013 where: bonds (distance) C4'-P energy: -78.474 bonds (distance) P-C4' energy: -88.660 flat angles C4'-P-C4' energy: -91.180 flat angles P-C4'-P energy: -65.086 tors. eta vs tors. theta energy: -135.600 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: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1346.710684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.710684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.710684 (E_RNA) where: Base-Base interactions energy: -934.109 where: short stacking energy: -400.453 Base-Backbone interact. energy: -4.703 local terms energy: -407.898403 where: bonds (distance) C4'-P energy: -76.044 bonds (distance) P-C4' energy: -79.531 flat angles C4'-P-C4' energy: -83.707 flat angles P-C4'-P energy: -54.718 tors. eta vs tors. theta energy: -113.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1183.654845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.654845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.654845 (E_RNA) where: Base-Base interactions energy: -789.876 where: short stacking energy: -348.097 Base-Backbone interact. energy: -0.420 local terms energy: -393.359424 where: bonds (distance) C4'-P energy: -74.969 bonds (distance) P-C4' energy: -87.168 flat angles C4'-P-C4' energy: -80.996 flat angles P-C4'-P energy: -51.811 tors. eta vs tors. theta energy: -98.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1098.881458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.881458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.881458 (E_RNA) where: Base-Base interactions energy: -708.755 where: short stacking energy: -344.301 Base-Backbone interact. energy: 0.369 local terms energy: -390.496145 where: bonds (distance) C4'-P energy: -61.550 bonds (distance) P-C4' energy: -73.430 flat angles C4'-P-C4' energy: -93.150 flat angles P-C4'-P energy: -59.517 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: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -961.963169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.963169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.963169 (E_RNA) where: Base-Base interactions energy: -613.787 where: short stacking energy: -291.396 Base-Backbone interact. energy: -1.656 local terms energy: -346.519350 where: bonds (distance) C4'-P energy: -65.562 bonds (distance) P-C4' energy: -75.359 flat angles C4'-P-C4' energy: -84.084 flat angles P-C4'-P energy: -48.957 tors. eta vs tors. theta energy: -72.557 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: 6, replica: 1 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -823.868351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.868351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.868351 (E_RNA) where: Base-Base interactions energy: -503.844 where: short stacking energy: -246.915 Base-Backbone interact. energy: -0.822 local terms energy: -319.202490 where: bonds (distance) C4'-P energy: -63.485 bonds (distance) P-C4' energy: -72.353 flat angles C4'-P-C4' energy: -79.791 flat angles P-C4'-P energy: -50.571 tors. eta vs tors. theta energy: -53.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -672.300990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.300990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.300990 (E_RNA) where: Base-Base interactions energy: -381.402 where: short stacking energy: -210.519 Base-Backbone interact. energy: 0.642 local terms energy: -291.541427 where: bonds (distance) C4'-P energy: -62.901 bonds (distance) P-C4' energy: -70.163 flat angles C4'-P-C4' energy: -79.397 flat angles P-C4'-P energy: -37.052 tors. eta vs tors. theta energy: -42.029 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: 8 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -515.851684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.851684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.851684 (E_RNA) where: Base-Base interactions energy: -251.254 where: short stacking energy: -173.223 Base-Backbone interact. energy: 1.514 local terms energy: -266.112078 where: bonds (distance) C4'-P energy: -62.343 bonds (distance) P-C4' energy: -76.208 flat angles C4'-P-C4' energy: -61.365 flat angles P-C4'-P energy: -40.226 tors. eta vs tors. theta energy: -25.970 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: 6 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -523.377080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.377080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.377080 (E_RNA) where: Base-Base interactions energy: -287.594 where: short stacking energy: -166.499 Base-Backbone interact. energy: -0.347 local terms energy: -235.436228 where: bonds (distance) C4'-P energy: -56.261 bonds (distance) P-C4' energy: -69.250 flat angles C4'-P-C4' energy: -55.592 flat angles P-C4'-P energy: -27.724 tors. eta vs tors. theta energy: -26.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -444.415928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.415928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.415928 (E_RNA) where: Base-Base interactions energy: -230.382 where: short stacking energy: -96.924 Base-Backbone interact. energy: 1.282 local terms energy: -215.315835 where: bonds (distance) C4'-P energy: -68.234 bonds (distance) P-C4' energy: -72.781 flat angles C4'-P-C4' energy: -60.572 flat angles P-C4'-P energy: -28.371 tors. eta vs tors. theta energy: 14.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1379.281195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.281195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.281195 (E_RNA) where: Base-Base interactions energy: -930.394 where: short stacking energy: -426.194 Base-Backbone interact. energy: -1.304 local terms energy: -447.582649 where: bonds (distance) C4'-P energy: -79.317 bonds (distance) P-C4' energy: -81.923 flat angles C4'-P-C4' energy: -90.582 flat angles P-C4'-P energy: -61.617 tors. eta vs tors. theta energy: -134.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1323.400303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.400303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.400303 (E_RNA) where: Base-Base interactions energy: -914.619 where: short stacking energy: -397.854 Base-Backbone interact. energy: -1.085 local terms energy: -407.696564 where: bonds (distance) C4'-P energy: -79.181 bonds (distance) P-C4' energy: -71.165 flat angles C4'-P-C4' energy: -94.764 flat angles P-C4'-P energy: -49.289 tors. eta vs tors. theta energy: -113.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1188.494594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.494594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.494594 (E_RNA) where: Base-Base interactions energy: -790.771 where: short stacking energy: -366.859 Base-Backbone interact. energy: 0.352 local terms energy: -398.075689 where: bonds (distance) C4'-P energy: -80.843 bonds (distance) P-C4' energy: -74.699 flat angles C4'-P-C4' energy: -78.369 flat angles P-C4'-P energy: -63.112 tors. eta vs tors. theta energy: -101.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1094.180985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.180985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.180985 (E_RNA) where: Base-Base interactions energy: -734.615 where: short stacking energy: -340.669 Base-Backbone interact. energy: -0.400 local terms energy: -359.165776 where: bonds (distance) C4'-P energy: -69.226 bonds (distance) P-C4' energy: -69.337 flat angles C4'-P-C4' energy: -75.718 flat angles P-C4'-P energy: -51.693 tors. eta vs tors. theta energy: -93.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -980.921504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.921504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.921504 (E_RNA) where: Base-Base interactions energy: -622.094 where: short stacking energy: -294.047 Base-Backbone interact. energy: -1.886 local terms energy: -356.941318 where: bonds (distance) C4'-P energy: -63.440 bonds (distance) P-C4' energy: -76.451 flat angles C4'-P-C4' energy: -75.369 flat angles P-C4'-P energy: -60.983 tors. eta vs tors. theta energy: -80.698 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: 1 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -787.250147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.250147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.250147 (E_RNA) where: Base-Base interactions energy: -470.548 where: short stacking energy: -256.797 Base-Backbone interact. energy: 0.825 local terms energy: -317.527420 where: bonds (distance) C4'-P energy: -58.444 bonds (distance) P-C4' energy: -77.225 flat angles C4'-P-C4' energy: -68.745 flat angles P-C4'-P energy: -44.636 tors. eta vs tors. theta energy: -68.477 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: 3 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -664.947166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.947166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.947166 (E_RNA) where: Base-Base interactions energy: -395.816 where: short stacking energy: -210.029 Base-Backbone interact. energy: -1.262 local terms energy: -267.869937 where: bonds (distance) C4'-P energy: -71.760 bonds (distance) P-C4' energy: -65.263 flat angles C4'-P-C4' energy: -71.481 flat angles P-C4'-P energy: -22.993 tors. eta vs tors. theta energy: -36.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -511.692358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.692358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.692358 (E_RNA) where: Base-Base interactions energy: -231.967 where: short stacking energy: -141.829 Base-Backbone interact. energy: -1.338 local terms energy: -278.388026 where: bonds (distance) C4'-P energy: -71.130 bonds (distance) P-C4' energy: -73.849 flat angles C4'-P-C4' energy: -67.859 flat angles P-C4'-P energy: -57.491 tors. eta vs tors. theta energy: -8.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -496.871229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.871229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.871229 (E_RNA) where: Base-Base interactions energy: -248.769 where: short stacking energy: -142.977 Base-Backbone interact. energy: -2.428 local terms energy: -245.673997 where: bonds (distance) C4'-P energy: -62.778 bonds (distance) P-C4' energy: -69.756 flat angles C4'-P-C4' energy: -67.712 flat angles P-C4'-P energy: -40.124 tors. eta vs tors. theta energy: -5.305 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: 5 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -464.539166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.539166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.539166 (E_RNA) where: Base-Base interactions energy: -250.863 where: short stacking energy: -133.971 Base-Backbone interact. energy: 0.910 local terms energy: -214.586272 where: bonds (distance) C4'-P energy: -71.190 bonds (distance) P-C4' energy: -43.194 flat angles C4'-P-C4' energy: -63.698 flat angles P-C4'-P energy: -25.114 tors. eta vs tors. theta energy: -11.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1381.208976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.208976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.208976 (E_RNA) where: Base-Base interactions energy: -952.138 where: short stacking energy: -429.312 Base-Backbone interact. energy: 0.034 local terms energy: -429.105065 where: bonds (distance) C4'-P energy: -76.130 bonds (distance) P-C4' energy: -72.471 flat angles C4'-P-C4' energy: -92.555 flat angles P-C4'-P energy: -60.110 tors. eta vs tors. theta energy: -127.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1316.957558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.957558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.957558 (E_RNA) where: Base-Base interactions energy: -896.156 where: short stacking energy: -377.814 Base-Backbone interact. energy: -1.226 local terms energy: -419.576012 where: bonds (distance) C4'-P energy: -86.370 bonds (distance) P-C4' energy: -81.861 flat angles C4'-P-C4' energy: -87.311 flat angles P-C4'-P energy: -49.088 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: 3, replica: 2 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1194.487010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.487010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.487010 (E_RNA) where: Base-Base interactions energy: -792.125 where: short stacking energy: -357.177 Base-Backbone interact. energy: -0.999 local terms energy: -401.363613 where: bonds (distance) C4'-P energy: -77.165 bonds (distance) P-C4' energy: -68.801 flat angles C4'-P-C4' energy: -93.003 flat angles P-C4'-P energy: -58.293 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: 4, replica: 9 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1101.484674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.484674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.484674 (E_RNA) where: Base-Base interactions energy: -718.276 where: short stacking energy: -332.650 Base-Backbone interact. energy: -0.679 local terms energy: -382.528934 where: bonds (distance) C4'-P energy: -79.589 bonds (distance) P-C4' energy: -74.603 flat angles C4'-P-C4' energy: -82.726 flat angles P-C4'-P energy: -53.944 tors. eta vs tors. theta energy: -91.667 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: 4 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -994.314335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.314335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.314335 (E_RNA) where: Base-Base interactions energy: -650.599 where: short stacking energy: -295.865 Base-Backbone interact. energy: -2.157 local terms energy: -341.558775 where: bonds (distance) C4'-P energy: -61.163 bonds (distance) P-C4' energy: -72.494 flat angles C4'-P-C4' energy: -78.540 flat angles P-C4'-P energy: -46.643 tors. eta vs tors. theta energy: -82.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -784.497139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.497139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.497139 (E_RNA) where: Base-Base interactions energy: -468.430 where: short stacking energy: -236.121 Base-Backbone interact. energy: -0.592 local terms energy: -315.475626 where: bonds (distance) C4'-P energy: -67.069 bonds (distance) P-C4' energy: -61.025 flat angles C4'-P-C4' energy: -76.470 flat angles P-C4'-P energy: -63.084 tors. eta vs tors. theta energy: -47.828 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: 3 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -649.856589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.856589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.856589 (E_RNA) where: Base-Base interactions energy: -358.224 where: short stacking energy: -207.298 Base-Backbone interact. energy: -0.916 local terms energy: -290.716051 where: bonds (distance) C4'-P energy: -63.604 bonds (distance) P-C4' energy: -73.797 flat angles C4'-P-C4' energy: -67.729 flat angles P-C4'-P energy: -46.765 tors. eta vs tors. theta energy: -38.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -576.234016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.234016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.234016 (E_RNA) where: Base-Base interactions energy: -303.077 where: short stacking energy: -189.711 Base-Backbone interact. energy: 0.166 local terms energy: -273.322947 where: bonds (distance) C4'-P energy: -62.473 bonds (distance) P-C4' energy: -55.933 flat angles C4'-P-C4' energy: -61.775 flat angles P-C4'-P energy: -51.279 tors. eta vs tors. theta energy: -41.863 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: 9, replica: 6 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -511.440467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.440467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.440467 (E_RNA) where: Base-Base interactions energy: -259.696 where: short stacking energy: -143.544 Base-Backbone interact. energy: -2.265 local terms energy: -249.478902 where: bonds (distance) C4'-P energy: -53.984 bonds (distance) P-C4' energy: -67.702 flat angles C4'-P-C4' energy: -71.333 flat angles P-C4'-P energy: -43.954 tors. eta vs tors. theta energy: -12.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -461.826611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.826611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.826611 (E_RNA) where: Base-Base interactions energy: -232.670 where: short stacking energy: -131.286 Base-Backbone interact. energy: 1.669 local terms energy: -230.825455 where: bonds (distance) C4'-P energy: -59.993 bonds (distance) P-C4' energy: -71.603 flat angles C4'-P-C4' energy: -55.798 flat angles P-C4'-P energy: -39.284 tors. eta vs tors. theta energy: -4.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1352.550800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.550800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.550800 (E_RNA) where: Base-Base interactions energy: -920.091 where: short stacking energy: -385.768 Base-Backbone interact. energy: -1.899 local terms energy: -430.560820 where: bonds (distance) C4'-P energy: -85.319 bonds (distance) P-C4' energy: -83.546 flat angles C4'-P-C4' energy: -85.128 flat angles P-C4'-P energy: -56.420 tors. eta vs tors. theta energy: -120.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1354.687080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.687080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.687080 (E_RNA) where: Base-Base interactions energy: -919.838 where: short stacking energy: -407.934 Base-Backbone interact. energy: -0.490 local terms energy: -434.358774 where: bonds (distance) C4'-P energy: -74.387 bonds (distance) P-C4' energy: -73.799 flat angles C4'-P-C4' energy: -97.969 flat angles P-C4'-P energy: -63.934 tors. eta vs tors. theta energy: -124.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1191.478755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.478755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.478755 (E_RNA) where: Base-Base interactions energy: -783.399 where: short stacking energy: -362.777 Base-Backbone interact. energy: -1.655 local terms energy: -406.424413 where: bonds (distance) C4'-P energy: -73.858 bonds (distance) P-C4' energy: -78.669 flat angles C4'-P-C4' energy: -90.678 flat angles P-C4'-P energy: -50.791 tors. eta vs tors. theta energy: -112.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1142.370583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.370583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.370583 (E_RNA) where: Base-Base interactions energy: -747.738 where: short stacking energy: -354.421 Base-Backbone interact. energy: 0.826 local terms energy: -395.459184 where: bonds (distance) C4'-P energy: -59.162 bonds (distance) P-C4' energy: -74.345 flat angles C4'-P-C4' energy: -87.280 flat angles P-C4'-P energy: -62.837 tors. eta vs tors. theta energy: -111.835 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: 4 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -990.730525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.730525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.730525 (E_RNA) where: Base-Base interactions energy: -654.985 where: short stacking energy: -311.663 Base-Backbone interact. energy: -0.140 local terms energy: -335.605309 where: bonds (distance) C4'-P energy: -58.861 bonds (distance) P-C4' energy: -69.685 flat angles C4'-P-C4' energy: -81.088 flat angles P-C4'-P energy: -46.906 tors. eta vs tors. theta energy: -79.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -870.651819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.651819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.651819 (E_RNA) where: Base-Base interactions energy: -542.414 where: short stacking energy: -244.557 Base-Backbone interact. energy: 3.386 local terms energy: -331.624739 where: bonds (distance) C4'-P energy: -66.721 bonds (distance) P-C4' energy: -83.697 flat angles C4'-P-C4' energy: -72.822 flat angles P-C4'-P energy: -49.625 tors. eta vs tors. theta energy: -58.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -627.188732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.188732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.188732 (E_RNA) where: Base-Base interactions energy: -368.720 where: short stacking energy: -179.465 Base-Backbone interact. energy: 2.371 local terms energy: -260.839922 where: bonds (distance) C4'-P energy: -63.864 bonds (distance) P-C4' energy: -75.723 flat angles C4'-P-C4' energy: -71.380 flat angles P-C4'-P energy: -28.728 tors. eta vs tors. theta energy: -21.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -532.945911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.945911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.945911 (E_RNA) where: Base-Base interactions energy: -267.873 where: short stacking energy: -157.690 Base-Backbone interact. energy: -0.203 local terms energy: -264.870251 where: bonds (distance) C4'-P energy: -67.182 bonds (distance) P-C4' energy: -73.316 flat angles C4'-P-C4' energy: -66.245 flat angles P-C4'-P energy: -36.940 tors. eta vs tors. theta energy: -21.187 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: 6 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -520.004499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.004499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.004499 (E_RNA) where: Base-Base interactions energy: -265.827 where: short stacking energy: -165.804 Base-Backbone interact. energy: 2.730 local terms energy: -256.907935 where: bonds (distance) C4'-P energy: -63.742 bonds (distance) P-C4' energy: -66.553 flat angles C4'-P-C4' energy: -63.103 flat angles P-C4'-P energy: -36.931 tors. eta vs tors. theta energy: -26.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -448.280063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.280063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.280063 (E_RNA) where: Base-Base interactions energy: -204.353 where: short stacking energy: -122.300 Base-Backbone interact. energy: -2.524 local terms energy: -241.402917 where: bonds (distance) C4'-P energy: -67.874 bonds (distance) P-C4' energy: -73.743 flat angles C4'-P-C4' energy: -64.316 flat angles P-C4'-P energy: -33.251 tors. eta vs tors. theta energy: -2.219 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: 7 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1325.634566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.634566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.634566 (E_RNA) where: Base-Base interactions energy: -909.987 where: short stacking energy: -385.678 Base-Backbone interact. energy: 0.994 local terms energy: -416.641460 where: bonds (distance) C4'-P energy: -68.918 bonds (distance) P-C4' energy: -81.585 flat angles C4'-P-C4' energy: -92.836 flat angles P-C4'-P energy: -60.452 tors. eta vs tors. theta energy: -112.850 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: 10 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1326.662345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.662345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.662345 (E_RNA) where: Base-Base interactions energy: -899.816 where: short stacking energy: -397.600 Base-Backbone interact. energy: 0.767 local terms energy: -427.613698 where: bonds (distance) C4'-P energy: -79.784 bonds (distance) P-C4' energy: -74.093 flat angles C4'-P-C4' energy: -100.214 flat angles P-C4'-P energy: -62.997 tors. eta vs tors. theta energy: -110.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1208.110977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.110977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.110977 (E_RNA) where: Base-Base interactions energy: -807.051 where: short stacking energy: -364.513 Base-Backbone interact. energy: -1.539 local terms energy: -399.520600 where: bonds (distance) C4'-P energy: -71.943 bonds (distance) P-C4' energy: -85.479 flat angles C4'-P-C4' energy: -88.337 flat angles P-C4'-P energy: -57.700 tors. eta vs tors. theta energy: -96.061 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: 9 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1130.474513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.474513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.474513 (E_RNA) where: Base-Base interactions energy: -740.095 where: short stacking energy: -353.298 Base-Backbone interact. energy: -0.281 local terms energy: -390.098807 where: bonds (distance) C4'-P energy: -75.955 bonds (distance) P-C4' energy: -67.232 flat angles C4'-P-C4' energy: -84.140 flat angles P-C4'-P energy: -56.791 tors. eta vs tors. theta energy: -105.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1000.449686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.449686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.449686 (E_RNA) where: Base-Base interactions energy: -637.734 where: short stacking energy: -291.430 Base-Backbone interact. energy: -1.019 local terms energy: -361.696256 where: bonds (distance) C4'-P energy: -82.948 bonds (distance) P-C4' energy: -68.592 flat angles C4'-P-C4' energy: -75.447 flat angles P-C4'-P energy: -57.770 tors. eta vs tors. theta energy: -76.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -855.324925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.324925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.324925 (E_RNA) where: Base-Base interactions energy: -538.067 where: short stacking energy: -254.966 Base-Backbone interact. energy: -1.021 local terms energy: -316.237186 where: bonds (distance) C4'-P energy: -58.082 bonds (distance) P-C4' energy: -79.099 flat angles C4'-P-C4' energy: -68.131 flat angles P-C4'-P energy: -41.981 tors. eta vs tors. theta energy: -68.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -633.892380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.892380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.892380 (E_RNA) where: Base-Base interactions energy: -366.004 where: short stacking energy: -184.322 Base-Backbone interact. energy: 2.603 local terms energy: -270.491105 where: bonds (distance) C4'-P energy: -76.337 bonds (distance) P-C4' energy: -59.801 flat angles C4'-P-C4' energy: -61.430 flat angles P-C4'-P energy: -44.776 tors. eta vs tors. theta energy: -28.146 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: 8 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -566.785476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.785476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.785476 (E_RNA) where: Base-Base interactions energy: -283.677 where: short stacking energy: -185.459 Base-Backbone interact. energy: 0.081 local terms energy: -283.189546 where: bonds (distance) C4'-P energy: -73.246 bonds (distance) P-C4' energy: -75.553 flat angles C4'-P-C4' energy: -70.683 flat angles P-C4'-P energy: -35.911 tors. eta vs tors. theta energy: -27.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -508.631849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.631849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.631849 (E_RNA) where: Base-Base interactions energy: -267.296 where: short stacking energy: -134.565 Base-Backbone interact. energy: -1.701 local terms energy: -239.635278 where: bonds (distance) C4'-P energy: -71.158 bonds (distance) P-C4' energy: -72.901 flat angles C4'-P-C4' energy: -58.856 flat angles P-C4'-P energy: -32.485 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -426.982260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.982260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.982260 (E_RNA) where: Base-Base interactions energy: -198.392 where: short stacking energy: -123.939 Base-Backbone interact. energy: 0.889 local terms energy: -229.478695 where: bonds (distance) C4'-P energy: -63.531 bonds (distance) P-C4' energy: -72.376 flat angles C4'-P-C4' energy: -53.694 flat angles P-C4'-P energy: -43.949 tors. eta vs tors. theta energy: 4.072 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: 1, replica: 7 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1325.909665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.909665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.909665 (E_RNA) where: Base-Base interactions energy: -915.016 where: short stacking energy: -387.376 Base-Backbone interact. energy: -1.369 local terms energy: -409.524740 where: bonds (distance) C4'-P energy: -78.961 bonds (distance) P-C4' energy: -73.043 flat angles C4'-P-C4' energy: -84.476 flat angles P-C4'-P energy: -58.634 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: 2, replica: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1337.780177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.780177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.780177 (E_RNA) where: Base-Base interactions energy: -913.824 where: short stacking energy: -396.481 Base-Backbone interact. energy: -1.569 local terms energy: -422.386998 where: bonds (distance) C4'-P energy: -75.973 bonds (distance) P-C4' energy: -83.204 flat angles C4'-P-C4' energy: -82.886 flat angles P-C4'-P energy: -64.211 tors. eta vs tors. theta energy: -116.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1203.588467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.588467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.588467 (E_RNA) where: Base-Base interactions energy: -804.149 where: short stacking energy: -364.146 Base-Backbone interact. energy: -3.841 local terms energy: -395.598277 where: bonds (distance) C4'-P energy: -74.279 bonds (distance) P-C4' energy: -69.395 flat angles C4'-P-C4' energy: -89.739 flat angles P-C4'-P energy: -53.157 tors. eta vs tors. theta energy: -109.027 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: 9 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1105.373771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.373771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.373771 (E_RNA) where: Base-Base interactions energy: -726.091 where: short stacking energy: -333.806 Base-Backbone interact. energy: -2.102 local terms energy: -377.180808 where: bonds (distance) C4'-P energy: -82.476 bonds (distance) P-C4' energy: -76.600 flat angles C4'-P-C4' energy: -83.259 flat angles P-C4'-P energy: -43.444 tors. eta vs tors. theta energy: -91.402 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: 5, replica: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -965.010224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.010224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.010224 (E_RNA) where: Base-Base interactions energy: -631.872 where: short stacking energy: -285.435 Base-Backbone interact. energy: -0.721 local terms energy: -332.416890 where: bonds (distance) C4'-P energy: -76.787 bonds (distance) P-C4' energy: -69.104 flat angles C4'-P-C4' energy: -77.601 flat angles P-C4'-P energy: -44.515 tors. eta vs tors. theta energy: -64.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -812.129666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.129666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.129666 (E_RNA) where: Base-Base interactions energy: -519.171 where: short stacking energy: -237.992 Base-Backbone interact. energy: 2.399 local terms energy: -295.357742 where: bonds (distance) C4'-P energy: -72.539 bonds (distance) P-C4' energy: -73.453 flat angles C4'-P-C4' energy: -70.659 flat angles P-C4'-P energy: -38.322 tors. eta vs tors. theta energy: -40.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -640.824604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.824604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.824604 (E_RNA) where: Base-Base interactions energy: -365.277 where: short stacking energy: -177.247 Base-Backbone interact. energy: -1.291 local terms energy: -274.257398 where: bonds (distance) C4'-P energy: -73.716 bonds (distance) P-C4' energy: -70.802 flat angles C4'-P-C4' energy: -61.655 flat angles P-C4'-P energy: -34.150 tors. eta vs tors. theta energy: -33.934 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: 8 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -555.354136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.354136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.354136 (E_RNA) where: Base-Base interactions energy: -296.037 where: short stacking energy: -171.338 Base-Backbone interact. energy: -1.432 local terms energy: -257.885381 where: bonds (distance) C4'-P energy: -77.392 bonds (distance) P-C4' energy: -66.981 flat angles C4'-P-C4' energy: -51.912 flat angles P-C4'-P energy: -36.165 tors. eta vs tors. theta energy: -25.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -530.075602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.075602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.075602 (E_RNA) where: Base-Base interactions energy: -301.511 where: short stacking energy: -121.366 Base-Backbone interact. energy: 2.297 local terms energy: -230.861496 where: bonds (distance) C4'-P energy: -63.524 bonds (distance) P-C4' energy: -68.575 flat angles C4'-P-C4' energy: -56.010 flat angles P-C4'-P energy: -41.087 tors. eta vs tors. theta energy: -1.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -436.208864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.208864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.208864 (E_RNA) where: Base-Base interactions energy: -200.594 where: short stacking energy: -106.717 Base-Backbone interact. energy: 0.937 local terms energy: -236.551368 where: bonds (distance) C4'-P energy: -60.686 bonds (distance) P-C4' energy: -80.028 flat angles C4'-P-C4' energy: -56.453 flat angles P-C4'-P energy: -40.088 tors. eta vs tors. theta energy: 0.703 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: 7 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1353.208352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.208352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.208352 (E_RNA) where: Base-Base interactions energy: -905.856 where: short stacking energy: -395.268 Base-Backbone interact. energy: -1.781 local terms energy: -445.571775 where: bonds (distance) C4'-P energy: -87.872 bonds (distance) P-C4' energy: -85.483 flat angles C4'-P-C4' energy: -89.415 flat angles P-C4'-P energy: -67.427 tors. eta vs tors. theta energy: -115.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1312.904305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.904305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.904305 (E_RNA) where: Base-Base interactions energy: -896.342 where: short stacking energy: -396.365 Base-Backbone interact. energy: -1.029 local terms energy: -415.533251 where: bonds (distance) C4'-P energy: -74.115 bonds (distance) P-C4' energy: -74.868 flat angles C4'-P-C4' energy: -80.836 flat angles P-C4'-P energy: -58.643 tors. eta vs tors. theta energy: -127.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1217.445725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.445725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.445725 (E_RNA) where: Base-Base interactions energy: -819.548 where: short stacking energy: -375.848 Base-Backbone interact. energy: -0.846 local terms energy: -397.052296 where: bonds (distance) C4'-P energy: -79.375 bonds (distance) P-C4' energy: -73.268 flat angles C4'-P-C4' energy: -73.137 flat angles P-C4'-P energy: -56.010 tors. eta vs tors. theta energy: -115.263 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: 9 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1103.962746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.962746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.962746 (E_RNA) where: Base-Base interactions energy: -710.474 where: short stacking energy: -322.610 Base-Backbone interact. energy: 0.027 local terms energy: -393.515094 where: bonds (distance) C4'-P energy: -78.809 bonds (distance) P-C4' energy: -76.530 flat angles C4'-P-C4' energy: -89.085 flat angles P-C4'-P energy: -50.985 tors. eta vs tors. theta energy: -98.106 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: 4 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -969.472965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.472965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.472965 (E_RNA) where: Base-Base interactions energy: -627.448 where: short stacking energy: -272.664 Base-Backbone interact. energy: -2.766 local terms energy: -339.259512 where: bonds (distance) C4'-P energy: -67.942 bonds (distance) P-C4' energy: -76.650 flat angles C4'-P-C4' energy: -75.989 flat angles P-C4'-P energy: -44.608 tors. eta vs tors. theta energy: -74.069 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: 1 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -818.926594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.926594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.926594 (E_RNA) where: Base-Base interactions energy: -523.530 where: short stacking energy: -248.614 Base-Backbone interact. energy: -1.296 local terms energy: -294.100720 where: bonds (distance) C4'-P energy: -65.316 bonds (distance) P-C4' energy: -65.738 flat angles C4'-P-C4' energy: -71.902 flat angles P-C4'-P energy: -46.565 tors. eta vs tors. theta energy: -44.580 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: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -632.314609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.314609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.314609 (E_RNA) where: Base-Base interactions energy: -340.858 where: short stacking energy: -196.254 Base-Backbone interact. energy: 1.750 local terms energy: -293.205785 where: bonds (distance) C4'-P energy: -67.977 bonds (distance) P-C4' energy: -76.425 flat angles C4'-P-C4' energy: -61.410 flat angles P-C4'-P energy: -45.479 tors. eta vs tors. theta energy: -41.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -537.776056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.776056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.776056 (E_RNA) where: Base-Base interactions energy: -301.278 where: short stacking energy: -162.291 Base-Backbone interact. energy: 4.287 local terms energy: -240.785169 where: bonds (distance) C4'-P energy: -71.245 bonds (distance) P-C4' energy: -68.509 flat angles C4'-P-C4' energy: -59.284 flat angles P-C4'-P energy: -33.886 tors. eta vs tors. theta energy: -7.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -531.102400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.102400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.102400 (E_RNA) where: Base-Base interactions energy: -278.779 where: short stacking energy: -151.154 Base-Backbone interact. energy: -0.436 local terms energy: -251.887563 where: bonds (distance) C4'-P energy: -67.947 bonds (distance) P-C4' energy: -70.523 flat angles C4'-P-C4' energy: -58.560 flat angles P-C4'-P energy: -31.778 tors. eta vs tors. theta energy: -23.079 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: 5 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -464.087484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.087484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.087484 (E_RNA) where: Base-Base interactions energy: -219.494 where: short stacking energy: -132.491 Base-Backbone interact. energy: -0.718 local terms energy: -243.874965 where: bonds (distance) C4'-P energy: -62.277 bonds (distance) P-C4' energy: -79.242 flat angles C4'-P-C4' energy: -65.554 flat angles P-C4'-P energy: -27.912 tors. eta vs tors. theta energy: -8.889 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: 1, replica: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1377.116378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.116378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.116378 (E_RNA) where: Base-Base interactions energy: -941.760 where: short stacking energy: -400.971 Base-Backbone interact. energy: -1.263 local terms energy: -434.093766 where: bonds (distance) C4'-P energy: -83.881 bonds (distance) P-C4' energy: -82.391 flat angles C4'-P-C4' energy: -88.478 flat angles P-C4'-P energy: -64.656 tors. eta vs tors. theta energy: -114.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1300.976844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.976844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.976844 (E_RNA) where: Base-Base interactions energy: -880.894 where: short stacking energy: -378.871 Base-Backbone interact. energy: -1.341 local terms energy: -418.741544 where: bonds (distance) C4'-P energy: -76.636 bonds (distance) P-C4' energy: -80.125 flat angles C4'-P-C4' energy: -83.345 flat angles P-C4'-P energy: -65.730 tors. eta vs tors. theta energy: -112.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1217.825720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.825720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.825720 (E_RNA) where: Base-Base interactions energy: -821.107 where: short stacking energy: -369.007 Base-Backbone interact. energy: -3.398 local terms energy: -393.321133 where: bonds (distance) C4'-P energy: -67.093 bonds (distance) P-C4' energy: -84.007 flat angles C4'-P-C4' energy: -88.169 flat angles P-C4'-P energy: -45.209 tors. eta vs tors. theta energy: -108.842 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: 9 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1148.656103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.656103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.656103 (E_RNA) where: Base-Base interactions energy: -749.667 where: short stacking energy: -368.206 Base-Backbone interact. energy: -1.427 local terms energy: -397.561281 where: bonds (distance) C4'-P energy: -67.213 bonds (distance) P-C4' energy: -83.869 flat angles C4'-P-C4' energy: -82.455 flat angles P-C4'-P energy: -58.497 tors. eta vs tors. theta energy: -105.526 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: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -995.515053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.515053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.515053 (E_RNA) where: Base-Base interactions energy: -634.741 where: short stacking energy: -282.641 Base-Backbone interact. energy: 0.885 local terms energy: -361.659886 where: bonds (distance) C4'-P energy: -67.825 bonds (distance) P-C4' energy: -82.884 flat angles C4'-P-C4' energy: -80.475 flat angles P-C4'-P energy: -53.929 tors. eta vs tors. theta energy: -76.547 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: 256 Temperature: 1.150000 Total energy: -784.851715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.851715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.851715 (E_RNA) where: Base-Base interactions energy: -460.884 where: short stacking energy: -216.793 Base-Backbone interact. energy: -2.240 local terms energy: -321.728406 where: bonds (distance) C4'-P energy: -69.444 bonds (distance) P-C4' energy: -83.888 flat angles C4'-P-C4' energy: -73.937 flat angles P-C4'-P energy: -36.771 tors. eta vs tors. theta energy: -57.689 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: 3 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -636.683246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.683246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.683246 (E_RNA) where: Base-Base interactions energy: -336.936 where: short stacking energy: -198.267 Base-Backbone interact. energy: 1.220 local terms energy: -300.966928 where: bonds (distance) C4'-P energy: -76.873 bonds (distance) P-C4' energy: -70.757 flat angles C4'-P-C4' energy: -70.076 flat angles P-C4'-P energy: -48.071 tors. eta vs tors. theta energy: -35.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -540.481426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.481426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.481426 (E_RNA) where: Base-Base interactions energy: -286.959 where: short stacking energy: -156.671 Base-Backbone interact. energy: -2.265 local terms energy: -251.257734 where: bonds (distance) C4'-P energy: -66.345 bonds (distance) P-C4' energy: -67.437 flat angles C4'-P-C4' energy: -65.326 flat angles P-C4'-P energy: -35.833 tors. eta vs tors. theta energy: -16.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -510.816526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.816526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.816526 (E_RNA) where: Base-Base interactions energy: -253.026 where: short stacking energy: -163.010 Base-Backbone interact. energy: 3.290 local terms energy: -261.080472 where: bonds (distance) C4'-P energy: -69.126 bonds (distance) P-C4' energy: -70.515 flat angles C4'-P-C4' energy: -63.421 flat angles P-C4'-P energy: -38.399 tors. eta vs tors. theta energy: -19.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -467.555115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.555115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.555115 (E_RNA) where: Base-Base interactions energy: -237.040 where: short stacking energy: -133.456 Base-Backbone interact. energy: -2.562 local terms energy: -227.952709 where: bonds (distance) C4'-P energy: -59.861 bonds (distance) P-C4' energy: -78.420 flat angles C4'-P-C4' energy: -55.580 flat angles P-C4'-P energy: -28.763 tors. eta vs tors. theta energy: -5.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1352.749100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.749100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.749100 (E_RNA) where: Base-Base interactions energy: -914.292 where: short stacking energy: -398.417 Base-Backbone interact. energy: -0.040 local terms energy: -438.416898 where: bonds (distance) C4'-P energy: -77.150 bonds (distance) P-C4' energy: -89.552 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -58.955 tors. eta vs tors. theta energy: -121.716 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: 7 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1276.071487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.071487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.071487 (E_RNA) where: Base-Base interactions energy: -870.800 where: short stacking energy: -384.276 Base-Backbone interact. energy: -0.559 local terms energy: -404.712005 where: bonds (distance) C4'-P energy: -73.305 bonds (distance) P-C4' energy: -75.523 flat angles C4'-P-C4' energy: -88.808 flat angles P-C4'-P energy: -58.645 tors. eta vs tors. theta energy: -108.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1226.608474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.608474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.608474 (E_RNA) where: Base-Base interactions energy: -829.137 where: short stacking energy: -388.241 Base-Backbone interact. energy: 0.141 local terms energy: -397.612211 where: bonds (distance) C4'-P energy: -67.498 bonds (distance) P-C4' energy: -78.792 flat angles C4'-P-C4' energy: -82.414 flat angles P-C4'-P energy: -53.712 tors. eta vs tors. theta energy: -115.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1157.287908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.287908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.287908 (E_RNA) where: Base-Base interactions energy: -757.749 where: short stacking energy: -380.046 Base-Backbone interact. energy: -0.427 local terms energy: -399.111890 where: bonds (distance) C4'-P energy: -69.568 bonds (distance) P-C4' energy: -72.533 flat angles C4'-P-C4' energy: -88.710 flat angles P-C4'-P energy: -52.781 tors. eta vs tors. theta energy: -115.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1013.575368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.575368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.575368 (E_RNA) where: Base-Base interactions energy: -653.123 where: short stacking energy: -300.695 Base-Backbone interact. energy: 0.243 local terms energy: -360.695033 where: bonds (distance) C4'-P energy: -75.367 bonds (distance) P-C4' energy: -72.394 flat angles C4'-P-C4' energy: -79.245 flat angles P-C4'-P energy: -51.657 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: 6, replica: 1 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -796.630333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.630333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.630333 (E_RNA) where: Base-Base interactions energy: -495.125 where: short stacking energy: -255.647 Base-Backbone interact. energy: -0.928 local terms energy: -300.577582 where: bonds (distance) C4'-P energy: -72.950 bonds (distance) P-C4' energy: -62.686 flat angles C4'-P-C4' energy: -75.181 flat angles P-C4'-P energy: -35.799 tors. eta vs tors. theta energy: -53.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -617.698165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.698165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.698165 (E_RNA) where: Base-Base interactions energy: -338.178 where: short stacking energy: -203.273 Base-Backbone interact. energy: -0.888 local terms energy: -278.632037 where: bonds (distance) C4'-P energy: -71.933 bonds (distance) P-C4' energy: -65.794 flat angles C4'-P-C4' energy: -61.279 flat angles P-C4'-P energy: -41.503 tors. eta vs tors. theta energy: -38.123 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: 6 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -650.473369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.473369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.473369 (E_RNA) where: Base-Base interactions energy: -370.432 where: short stacking energy: -181.638 Base-Backbone interact. energy: -0.879 local terms energy: -279.161787 where: bonds (distance) C4'-P energy: -58.050 bonds (distance) P-C4' energy: -73.158 flat angles C4'-P-C4' energy: -67.544 flat angles P-C4'-P energy: -48.630 tors. eta vs tors. theta energy: -31.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -481.724041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.724041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.724041 (E_RNA) where: Base-Base interactions energy: -256.161 where: short stacking energy: -157.462 Base-Backbone interact. energy: -2.254 local terms energy: -223.308988 where: bonds (distance) C4'-P energy: -58.664 bonds (distance) P-C4' energy: -64.968 flat angles C4'-P-C4' energy: -54.906 flat angles P-C4'-P energy: -36.614 tors. eta vs tors. theta energy: -8.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -451.068445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.068445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.068445 (E_RNA) where: Base-Base interactions energy: -225.787 where: short stacking energy: -129.234 Base-Backbone interact. energy: 3.369 local terms energy: -228.650236 where: bonds (distance) C4'-P energy: -60.523 bonds (distance) P-C4' energy: -62.667 flat angles C4'-P-C4' energy: -59.508 flat angles P-C4'-P energy: -35.810 tors. eta vs tors. theta energy: -10.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1372.215330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.215330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.215330 (E_RNA) where: Base-Base interactions energy: -918.199 where: short stacking energy: -418.866 Base-Backbone interact. energy: -0.641 local terms energy: -453.374863 where: bonds (distance) C4'-P energy: -87.797 bonds (distance) P-C4' energy: -84.054 flat angles C4'-P-C4' energy: -91.015 flat angles P-C4'-P energy: -67.122 tors. eta vs tors. theta energy: -123.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1278.536240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.536240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.536240 (E_RNA) where: Base-Base interactions energy: -876.737 where: short stacking energy: -390.590 Base-Backbone interact. energy: -1.460 local terms energy: -400.338762 where: bonds (distance) C4'-P energy: -79.523 bonds (distance) P-C4' energy: -60.265 flat angles C4'-P-C4' energy: -88.835 flat angles P-C4'-P energy: -58.568 tors. eta vs tors. theta energy: -113.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1215.880829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.880829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.880829 (E_RNA) where: Base-Base interactions energy: -830.792 where: short stacking energy: -361.225 Base-Backbone interact. energy: 0.705 local terms energy: -385.793784 where: bonds (distance) C4'-P energy: -75.982 bonds (distance) P-C4' energy: -84.347 flat angles C4'-P-C4' energy: -78.002 flat angles P-C4'-P energy: -52.629 tors. eta vs tors. theta energy: -94.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1124.304139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.304139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.304139 (E_RNA) where: Base-Base interactions energy: -731.034 where: short stacking energy: -356.206 Base-Backbone interact. energy: 7.138 local terms energy: -400.408096 where: bonds (distance) C4'-P energy: -73.639 bonds (distance) P-C4' energy: -78.305 flat angles C4'-P-C4' energy: -82.294 flat angles P-C4'-P energy: -55.624 tors. eta vs tors. theta energy: -110.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1008.886268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.886268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.886268 (E_RNA) where: Base-Base interactions energy: -655.874 where: short stacking energy: -311.183 Base-Backbone interact. energy: -1.152 local terms energy: -351.860485 where: bonds (distance) C4'-P energy: -68.441 bonds (distance) P-C4' energy: -67.889 flat angles C4'-P-C4' energy: -81.452 flat angles P-C4'-P energy: -49.354 tors. eta vs tors. theta energy: -84.725 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: 1 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -807.491258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.491258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.491258 (E_RNA) where: Base-Base interactions energy: -477.203 where: short stacking energy: -249.603 Base-Backbone interact. energy: 1.382 local terms energy: -331.670387 where: bonds (distance) C4'-P energy: -83.011 bonds (distance) P-C4' energy: -72.950 flat angles C4'-P-C4' energy: -76.768 flat angles P-C4'-P energy: -47.085 tors. eta vs tors. theta energy: -51.856 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: 3 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -653.085984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.085984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.085984 (E_RNA) where: Base-Base interactions energy: -369.592 where: short stacking energy: -203.849 Base-Backbone interact. energy: -0.577 local terms energy: -282.917077 where: bonds (distance) C4'-P energy: -70.737 bonds (distance) P-C4' energy: -78.417 flat angles C4'-P-C4' energy: -62.845 flat angles P-C4'-P energy: -38.965 tors. eta vs tors. theta energy: -31.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -617.597601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.597601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.597601 (E_RNA) where: Base-Base interactions energy: -350.432 where: short stacking energy: -187.691 Base-Backbone interact. energy: -0.807 local terms energy: -266.358611 where: bonds (distance) C4'-P energy: -61.858 bonds (distance) P-C4' energy: -67.864 flat angles C4'-P-C4' energy: -70.062 flat angles P-C4'-P energy: -31.181 tors. eta vs tors. theta energy: -35.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -496.129657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.129657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.129657 (E_RNA) where: Base-Base interactions energy: -247.723 where: short stacking energy: -156.735 Base-Backbone interact. energy: 3.880 local terms energy: -252.287016 where: bonds (distance) C4'-P energy: -70.638 bonds (distance) P-C4' energy: -68.208 flat angles C4'-P-C4' energy: -64.543 flat angles P-C4'-P energy: -30.877 tors. eta vs tors. theta energy: -18.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -423.135003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.135003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.135003 (E_RNA) where: Base-Base interactions energy: -226.406 where: short stacking energy: -131.983 Base-Backbone interact. energy: 5.510 local terms energy: -202.238597 where: bonds (distance) C4'-P energy: -58.684 bonds (distance) P-C4' energy: -71.592 flat angles C4'-P-C4' energy: -57.620 flat angles P-C4'-P energy: -21.774 tors. eta vs tors. theta energy: 7.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1358.148606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.148606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.148606 (E_RNA) where: Base-Base interactions energy: -910.583 where: short stacking energy: -420.261 Base-Backbone interact. energy: -0.576 local terms energy: -446.989677 where: bonds (distance) C4'-P energy: -74.870 bonds (distance) P-C4' energy: -83.910 flat angles C4'-P-C4' energy: -94.998 flat angles P-C4'-P energy: -66.558 tors. eta vs tors. theta energy: -126.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1293.526623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.526623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.526623 (E_RNA) where: Base-Base interactions energy: -890.435 where: short stacking energy: -399.121 Base-Backbone interact. energy: -1.892 local terms energy: -401.200003 where: bonds (distance) C4'-P energy: -68.891 bonds (distance) P-C4' energy: -80.877 flat angles C4'-P-C4' energy: -82.393 flat angles P-C4'-P energy: -60.316 tors. eta vs tors. theta energy: -108.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1246.782966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.782966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.782966 (E_RNA) where: Base-Base interactions energy: -851.087 where: short stacking energy: -381.423 Base-Backbone interact. energy: 0.500 local terms energy: -396.196340 where: bonds (distance) C4'-P energy: -83.600 bonds (distance) P-C4' energy: -68.551 flat angles C4'-P-C4' energy: -87.161 flat angles P-C4'-P energy: -51.549 tors. eta vs tors. theta energy: -105.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1118.654916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.654916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.654916 (E_RNA) where: Base-Base interactions energy: -715.427 where: short stacking energy: -331.898 Base-Backbone interact. energy: -2.547 local terms energy: -400.681603 where: bonds (distance) C4'-P energy: -75.260 bonds (distance) P-C4' energy: -79.594 flat angles C4'-P-C4' energy: -82.791 flat angles P-C4'-P energy: -64.034 tors. eta vs tors. theta energy: -99.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1008.301776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.301776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.301776 (E_RNA) where: Base-Base interactions energy: -659.003 where: short stacking energy: -321.412 Base-Backbone interact. energy: -0.756 local terms energy: -348.543326 where: bonds (distance) C4'-P energy: -66.062 bonds (distance) P-C4' energy: -67.074 flat angles C4'-P-C4' energy: -81.583 flat angles P-C4'-P energy: -40.649 tors. eta vs tors. theta energy: -93.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -841.865957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.865957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.865957 (E_RNA) where: Base-Base interactions energy: -496.663 where: short stacking energy: -255.645 Base-Backbone interact. energy: -0.544 local terms energy: -344.659371 where: bonds (distance) C4'-P energy: -70.366 bonds (distance) P-C4' energy: -74.323 flat angles C4'-P-C4' energy: -81.876 flat angles P-C4'-P energy: -57.407 tors. eta vs tors. theta energy: -60.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -683.483228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.483228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.483228 (E_RNA) where: Base-Base interactions energy: -374.627 where: short stacking energy: -204.323 Base-Backbone interact. energy: 0.566 local terms energy: -309.422058 where: bonds (distance) C4'-P energy: -62.769 bonds (distance) P-C4' energy: -73.675 flat angles C4'-P-C4' energy: -76.229 flat angles P-C4'-P energy: -44.115 tors. eta vs tors. theta energy: -52.635 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: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -624.053757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.053757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.053757 (E_RNA) where: Base-Base interactions energy: -359.327 where: short stacking energy: -163.287 Base-Backbone interact. energy: 0.159 local terms energy: -264.885298 where: bonds (distance) C4'-P energy: -69.352 bonds (distance) P-C4' energy: -76.295 flat angles C4'-P-C4' energy: -69.499 flat angles P-C4'-P energy: -31.397 tors. eta vs tors. theta energy: -18.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -496.650161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.650161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.650161 (E_RNA) where: Base-Base interactions energy: -261.242 where: short stacking energy: -147.722 Base-Backbone interact. energy: -0.567 local terms energy: -234.841554 where: bonds (distance) C4'-P energy: -56.913 bonds (distance) P-C4' energy: -60.119 flat angles C4'-P-C4' energy: -63.380 flat angles P-C4'-P energy: -38.202 tors. eta vs tors. theta energy: -16.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -447.393264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.393264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.393264 (E_RNA) where: Base-Base interactions energy: -233.484 where: short stacking energy: -136.190 Base-Backbone interact. energy: -0.238 local terms energy: -213.671212 where: bonds (distance) C4'-P energy: -61.411 bonds (distance) P-C4' energy: -57.342 flat angles C4'-P-C4' energy: -58.507 flat angles P-C4'-P energy: -39.867 tors. eta vs tors. theta energy: 3.456 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: 1, replica: 7 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1329.086972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.086972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.086972 (E_RNA) where: Base-Base interactions energy: -917.364 where: short stacking energy: -401.926 Base-Backbone interact. energy: -1.436 local terms energy: -410.286617 where: bonds (distance) C4'-P energy: -83.332 bonds (distance) P-C4' energy: -71.780 flat angles C4'-P-C4' energy: -82.443 flat angles P-C4'-P energy: -58.586 tors. eta vs tors. theta energy: -114.146 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: 10 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1341.506756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.506756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.506756 (E_RNA) where: Base-Base interactions energy: -921.503 where: short stacking energy: -402.860 Base-Backbone interact. energy: -1.932 local terms energy: -418.071106 where: bonds (distance) C4'-P energy: -63.829 bonds (distance) P-C4' energy: -83.379 flat angles C4'-P-C4' energy: -88.237 flat angles P-C4'-P energy: -68.318 tors. eta vs tors. theta energy: -114.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1237.274515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.274515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.274515 (E_RNA) where: Base-Base interactions energy: -828.956 where: short stacking energy: -368.362 Base-Backbone interact. energy: -0.906 local terms energy: -407.412542 where: bonds (distance) C4'-P energy: -79.632 bonds (distance) P-C4' energy: -87.957 flat angles C4'-P-C4' energy: -79.902 flat angles P-C4'-P energy: -53.585 tors. eta vs tors. theta energy: -106.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1126.680585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.680585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.680585 (E_RNA) where: Base-Base interactions energy: -732.940 where: short stacking energy: -355.496 Base-Backbone interact. energy: -0.579 local terms energy: -393.161616 where: bonds (distance) C4'-P energy: -70.335 bonds (distance) P-C4' energy: -73.740 flat angles C4'-P-C4' energy: -79.254 flat angles P-C4'-P energy: -59.208 tors. eta vs tors. theta energy: -110.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -969.770007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.770007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.770007 (E_RNA) where: Base-Base interactions energy: -609.534 where: short stacking energy: -283.220 Base-Backbone interact. energy: 0.219 local terms energy: -360.455168 where: bonds (distance) C4'-P energy: -68.196 bonds (distance) P-C4' energy: -70.029 flat angles C4'-P-C4' energy: -82.062 flat angles P-C4'-P energy: -54.407 tors. eta vs tors. theta energy: -85.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -827.509236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.509236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.509236 (E_RNA) where: Base-Base interactions energy: -526.637 where: short stacking energy: -240.080 Base-Backbone interact. energy: -0.089 local terms energy: -300.782902 where: bonds (distance) C4'-P energy: -67.584 bonds (distance) P-C4' energy: -74.242 flat angles C4'-P-C4' energy: -73.390 flat angles P-C4'-P energy: -40.712 tors. eta vs tors. theta energy: -44.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -681.268428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.268428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.268428 (E_RNA) where: Base-Base interactions energy: -396.695 where: short stacking energy: -205.502 Base-Backbone interact. energy: -1.837 local terms energy: -282.736709 where: bonds (distance) C4'-P energy: -64.940 bonds (distance) P-C4' energy: -62.707 flat angles C4'-P-C4' energy: -63.054 flat angles P-C4'-P energy: -49.062 tors. eta vs tors. theta energy: -42.974 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: 3 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -623.915689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.915689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.915689 (E_RNA) where: Base-Base interactions energy: -357.730 where: short stacking energy: -180.677 Base-Backbone interact. energy: 0.621 local terms energy: -266.806038 where: bonds (distance) C4'-P energy: -64.613 bonds (distance) P-C4' energy: -70.570 flat angles C4'-P-C4' energy: -72.621 flat angles P-C4'-P energy: -44.677 tors. eta vs tors. theta energy: -14.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -514.413923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.413923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.413923 (E_RNA) where: Base-Base interactions energy: -259.800 where: short stacking energy: -138.366 Base-Backbone interact. energy: 4.582 local terms energy: -259.196324 where: bonds (distance) C4'-P energy: -82.231 bonds (distance) P-C4' energy: -68.269 flat angles C4'-P-C4' energy: -65.882 flat angles P-C4'-P energy: -29.225 tors. eta vs tors. theta energy: -13.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -426.755153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.755153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.755153 (E_RNA) where: Base-Base interactions energy: -201.375 where: short stacking energy: -117.450 Base-Backbone interact. energy: -3.084 local terms energy: -222.296217 where: bonds (distance) C4'-P energy: -65.053 bonds (distance) P-C4' energy: -68.647 flat angles C4'-P-C4' energy: -53.697 flat angles P-C4'-P energy: -26.318 tors. eta vs tors. theta energy: -8.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1333.496528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.496528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.496528 (E_RNA) where: Base-Base interactions energy: -896.655 where: short stacking energy: -383.592 Base-Backbone interact. energy: -1.389 local terms energy: -435.452452 where: bonds (distance) C4'-P energy: -86.356 bonds (distance) P-C4' energy: -76.957 flat angles C4'-P-C4' energy: -90.522 flat angles P-C4'-P energy: -65.277 tors. eta vs tors. theta energy: -116.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1331.939710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.939710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.939710 (E_RNA) where: Base-Base interactions energy: -918.634 where: short stacking energy: -421.452 Base-Backbone interact. energy: 0.453 local terms energy: -413.758466 where: bonds (distance) C4'-P energy: -76.388 bonds (distance) P-C4' energy: -67.868 flat angles C4'-P-C4' energy: -97.284 flat angles P-C4'-P energy: -60.323 tors. eta vs tors. theta energy: -111.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1238.036775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.036775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.036775 (E_RNA) where: Base-Base interactions energy: -817.585 where: short stacking energy: -379.730 Base-Backbone interact. energy: -1.579 local terms energy: -418.871942 where: bonds (distance) C4'-P energy: -82.133 bonds (distance) P-C4' energy: -73.448 flat angles C4'-P-C4' energy: -91.475 flat angles P-C4'-P energy: -58.653 tors. eta vs tors. theta energy: -113.164 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: 9 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1098.075262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.075262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.075262 (E_RNA) where: Base-Base interactions energy: -718.095 where: short stacking energy: -352.447 Base-Backbone interact. energy: -1.495 local terms energy: -378.485294 where: bonds (distance) C4'-P energy: -77.399 bonds (distance) P-C4' energy: -69.664 flat angles C4'-P-C4' energy: -86.770 flat angles P-C4'-P energy: -51.819 tors. eta vs tors. theta energy: -92.833 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: 5, replica: 4 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -971.727425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.727425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.727425 (E_RNA) where: Base-Base interactions energy: -599.518 where: short stacking energy: -306.845 Base-Backbone interact. energy: -0.792 local terms energy: -371.417336 where: bonds (distance) C4'-P energy: -76.846 bonds (distance) P-C4' energy: -73.204 flat angles C4'-P-C4' energy: -83.914 flat angles P-C4'-P energy: -54.597 tors. eta vs tors. theta energy: -82.857 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: 1 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -848.275701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.275701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.275701 (E_RNA) where: Base-Base interactions energy: -525.148 where: short stacking energy: -255.751 Base-Backbone interact. energy: -0.183 local terms energy: -322.944808 where: bonds (distance) C4'-P energy: -74.894 bonds (distance) P-C4' energy: -64.708 flat angles C4'-P-C4' energy: -74.220 flat angles P-C4'-P energy: -53.706 tors. eta vs tors. theta energy: -55.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -735.358026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.358026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.358026 (E_RNA) where: Base-Base interactions energy: -428.418 where: short stacking energy: -216.418 Base-Backbone interact. energy: 0.322 local terms energy: -307.261927 where: bonds (distance) C4'-P energy: -66.821 bonds (distance) P-C4' energy: -75.949 flat angles C4'-P-C4' energy: -68.090 flat angles P-C4'-P energy: -44.936 tors. eta vs tors. theta energy: -51.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -594.265997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.265997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.265997 (E_RNA) where: Base-Base interactions energy: -322.667 where: short stacking energy: -171.056 Base-Backbone interact. energy: 2.267 local terms energy: -273.865663 where: bonds (distance) C4'-P energy: -65.419 bonds (distance) P-C4' energy: -78.119 flat angles C4'-P-C4' energy: -74.430 flat angles P-C4'-P energy: -36.877 tors. eta vs tors. theta energy: -19.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -496.890919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.890919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.890919 (E_RNA) where: Base-Base interactions energy: -233.783 where: short stacking energy: -121.750 Base-Backbone interact. energy: 0.003 local terms energy: -263.111058 where: bonds (distance) C4'-P energy: -59.472 bonds (distance) P-C4' energy: -78.190 flat angles C4'-P-C4' energy: -60.566 flat angles P-C4'-P energy: -50.338 tors. eta vs tors. theta energy: -14.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -449.117910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.117910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.117910 (E_RNA) where: Base-Base interactions energy: -220.441 where: short stacking energy: -135.898 Base-Backbone interact. energy: -1.127 local terms energy: -227.549575 where: bonds (distance) C4'-P energy: -57.784 bonds (distance) P-C4' energy: -62.250 flat angles C4'-P-C4' energy: -54.341 flat angles P-C4'-P energy: -44.059 tors. eta vs tors. theta energy: -9.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1319.281418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.281418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.281418 (E_RNA) where: Base-Base interactions energy: -902.063 where: short stacking energy: -395.406 Base-Backbone interact. energy: -1.088 local terms energy: -416.130487 where: bonds (distance) C4'-P energy: -85.968 bonds (distance) P-C4' energy: -69.951 flat angles C4'-P-C4' energy: -89.015 flat angles P-C4'-P energy: -60.297 tors. eta vs tors. theta energy: -110.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1329.861249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.861249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.861249 (E_RNA) where: Base-Base interactions energy: -925.302 where: short stacking energy: -419.043 Base-Backbone interact. energy: 1.545 local terms energy: -406.104259 where: bonds (distance) C4'-P energy: -75.765 bonds (distance) P-C4' energy: -70.577 flat angles C4'-P-C4' energy: -88.070 flat angles P-C4'-P energy: -51.966 tors. eta vs tors. theta energy: -119.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1140.737610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.737610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.737610 (E_RNA) where: Base-Base interactions energy: -747.487 where: short stacking energy: -351.548 Base-Backbone interact. energy: 0.254 local terms energy: -393.505409 where: bonds (distance) C4'-P energy: -69.797 bonds (distance) P-C4' energy: -75.823 flat angles C4'-P-C4' energy: -91.248 flat angles P-C4'-P energy: -58.594 tors. eta vs tors. theta energy: -98.044 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: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1136.858707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.858707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.858707 (E_RNA) where: Base-Base interactions energy: -775.893 where: short stacking energy: -347.953 Base-Backbone interact. energy: -0.887 local terms energy: -360.078709 where: bonds (distance) C4'-P energy: -65.587 bonds (distance) P-C4' energy: -72.710 flat angles C4'-P-C4' energy: -71.633 flat angles P-C4'-P energy: -52.991 tors. eta vs tors. theta energy: -97.157 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: 4 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -914.198998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.198998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.198998 (E_RNA) where: Base-Base interactions energy: -571.802 where: short stacking energy: -271.083 Base-Backbone interact. energy: -0.990 local terms energy: -341.407083 where: bonds (distance) C4'-P energy: -72.499 bonds (distance) P-C4' energy: -73.350 flat angles C4'-P-C4' energy: -74.536 flat angles P-C4'-P energy: -42.618 tors. eta vs tors. theta energy: -78.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -867.667354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.667354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.667354 (E_RNA) where: Base-Base interactions energy: -562.432 where: short stacking energy: -262.893 Base-Backbone interact. energy: -0.273 local terms energy: -304.962229 where: bonds (distance) C4'-P energy: -64.640 bonds (distance) P-C4' energy: -69.556 flat angles C4'-P-C4' energy: -62.797 flat angles P-C4'-P energy: -51.373 tors. eta vs tors. theta energy: -56.596 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: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -738.914785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.914785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.914785 (E_RNA) where: Base-Base interactions energy: -435.181 where: short stacking energy: -212.009 Base-Backbone interact. energy: -0.765 local terms energy: -302.968571 where: bonds (distance) C4'-P energy: -73.246 bonds (distance) P-C4' energy: -76.673 flat angles C4'-P-C4' energy: -73.482 flat angles P-C4'-P energy: -47.740 tors. eta vs tors. theta energy: -31.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -652.733246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.733246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.733246 (E_RNA) where: Base-Base interactions energy: -362.019 where: short stacking energy: -216.325 Base-Backbone interact. energy: -1.479 local terms energy: -289.235067 where: bonds (distance) C4'-P energy: -73.365 bonds (distance) P-C4' energy: -70.098 flat angles C4'-P-C4' energy: -59.662 flat angles P-C4'-P energy: -45.923 tors. eta vs tors. theta energy: -40.188 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: 5 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -546.022060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.022060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.022060 (E_RNA) where: Base-Base interactions energy: -281.446 where: short stacking energy: -145.726 Base-Backbone interact. energy: 2.765 local terms energy: -267.340189 where: bonds (distance) C4'-P energy: -66.056 bonds (distance) P-C4' energy: -76.367 flat angles C4'-P-C4' energy: -70.506 flat angles P-C4'-P energy: -35.395 tors. eta vs tors. theta energy: -19.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -502.941596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.941596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.941596 (E_RNA) where: Base-Base interactions energy: -255.879 where: short stacking energy: -132.866 Base-Backbone interact. energy: -0.538 local terms energy: -246.524264 where: bonds (distance) C4'-P energy: -65.524 bonds (distance) P-C4' energy: -66.326 flat angles C4'-P-C4' energy: -71.129 flat angles P-C4'-P energy: -38.367 tors. eta vs tors. theta energy: -5.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1333.902454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.902454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.902454 (E_RNA) where: Base-Base interactions energy: -917.618 where: short stacking energy: -382.927 Base-Backbone interact. energy: -2.517 local terms energy: -413.767553 where: bonds (distance) C4'-P energy: -82.057 bonds (distance) P-C4' energy: -76.040 flat angles C4'-P-C4' energy: -81.269 flat angles P-C4'-P energy: -63.712 tors. eta vs tors. theta energy: -110.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1345.417541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.417541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.417541 (E_RNA) where: Base-Base interactions energy: -916.603 where: short stacking energy: -418.658 Base-Backbone interact. energy: 0.710 local terms energy: -429.524737 where: bonds (distance) C4'-P energy: -74.246 bonds (distance) P-C4' energy: -82.618 flat angles C4'-P-C4' energy: -87.654 flat angles P-C4'-P energy: -64.789 tors. eta vs tors. theta energy: -120.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1172.314494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.314494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.314494 (E_RNA) where: Base-Base interactions energy: -773.194 where: short stacking energy: -389.381 Base-Backbone interact. energy: -0.728 local terms energy: -398.392559 where: bonds (distance) C4'-P energy: -60.925 bonds (distance) P-C4' energy: -79.488 flat angles C4'-P-C4' energy: -87.875 flat angles P-C4'-P energy: -59.697 tors. eta vs tors. theta energy: -110.408 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: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1144.151562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.151562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.151562 (E_RNA) where: Base-Base interactions energy: -770.420 where: short stacking energy: -342.055 Base-Backbone interact. energy: -1.517 local terms energy: -372.213652 where: bonds (distance) C4'-P energy: -73.078 bonds (distance) P-C4' energy: -70.519 flat angles C4'-P-C4' energy: -82.577 flat angles P-C4'-P energy: -53.712 tors. eta vs tors. theta energy: -92.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -931.144820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.144820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.144820 (E_RNA) where: Base-Base interactions energy: -586.478 where: short stacking energy: -295.412 Base-Backbone interact. energy: 1.814 local terms energy: -346.480747 where: bonds (distance) C4'-P energy: -80.732 bonds (distance) P-C4' energy: -74.093 flat angles C4'-P-C4' energy: -71.545 flat angles P-C4'-P energy: -33.920 tors. eta vs tors. theta energy: -86.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -832.182998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.182998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.182998 (E_RNA) where: Base-Base interactions energy: -509.515 where: short stacking energy: -238.016 Base-Backbone interact. energy: -1.282 local terms energy: -321.386501 where: bonds (distance) C4'-P energy: -79.450 bonds (distance) P-C4' energy: -62.348 flat angles C4'-P-C4' energy: -75.700 flat angles P-C4'-P energy: -53.035 tors. eta vs tors. theta energy: -50.854 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: 7, replica: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -700.970164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.970164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.970164 (E_RNA) where: Base-Base interactions energy: -412.809 where: short stacking energy: -190.642 Base-Backbone interact. energy: -1.174 local terms energy: -286.986834 where: bonds (distance) C4'-P energy: -65.226 bonds (distance) P-C4' energy: -69.560 flat angles C4'-P-C4' energy: -71.635 flat angles P-C4'-P energy: -48.262 tors. eta vs tors. theta energy: -32.304 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: 3 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -598.343777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.343777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.343777 (E_RNA) where: Base-Base interactions energy: -350.045 where: short stacking energy: -189.391 Base-Backbone interact. energy: 1.436 local terms energy: -249.735103 where: bonds (distance) C4'-P energy: -56.574 bonds (distance) P-C4' energy: -60.072 flat angles C4'-P-C4' energy: -64.862 flat angles P-C4'-P energy: -37.124 tors. eta vs tors. theta energy: -31.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -469.806344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.806344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.806344 (E_RNA) where: Base-Base interactions energy: -232.113 where: short stacking energy: -122.746 Base-Backbone interact. energy: 2.894 local terms energy: -240.587329 where: bonds (distance) C4'-P energy: -66.678 bonds (distance) P-C4' energy: -76.349 flat angles C4'-P-C4' energy: -60.368 flat angles P-C4'-P energy: -32.616 tors. eta vs tors. theta energy: -4.576 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: 8 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -460.482863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.482863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.482863 (E_RNA) where: Base-Base interactions energy: -215.338 where: short stacking energy: -124.470 Base-Backbone interact. energy: 1.643 local terms energy: -246.788755 where: bonds (distance) C4'-P energy: -60.339 bonds (distance) P-C4' energy: -84.262 flat angles C4'-P-C4' energy: -55.671 flat angles P-C4'-P energy: -35.875 tors. eta vs tors. theta energy: -10.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1363.626672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.626672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.626672 (E_RNA) where: Base-Base interactions energy: -922.621 where: short stacking energy: -420.038 Base-Backbone interact. energy: -0.178 local terms energy: -440.827481 where: bonds (distance) C4'-P energy: -79.364 bonds (distance) P-C4' energy: -89.433 flat angles C4'-P-C4' energy: -90.558 flat angles P-C4'-P energy: -54.981 tors. eta vs tors. theta energy: -126.491 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: 7 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1297.189821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.189821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.189821 (E_RNA) where: Base-Base interactions energy: -896.125 where: short stacking energy: -372.725 Base-Backbone interact. energy: -0.929 local terms energy: -400.136013 where: bonds (distance) C4'-P energy: -73.312 bonds (distance) P-C4' energy: -74.422 flat angles C4'-P-C4' energy: -87.187 flat angles P-C4'-P energy: -54.249 tors. eta vs tors. theta energy: -110.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1165.757680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.757680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.757680 (E_RNA) where: Base-Base interactions energy: -772.950 where: short stacking energy: -372.629 Base-Backbone interact. energy: -0.233 local terms energy: -392.574853 where: bonds (distance) C4'-P energy: -70.258 bonds (distance) P-C4' energy: -71.489 flat angles C4'-P-C4' energy: -81.183 flat angles P-C4'-P energy: -58.117 tors. eta vs tors. theta energy: -111.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1143.489842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.489842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.489842 (E_RNA) where: Base-Base interactions energy: -792.552 where: short stacking energy: -354.137 Base-Backbone interact. energy: -1.465 local terms energy: -349.473343 where: bonds (distance) C4'-P energy: -66.667 bonds (distance) P-C4' energy: -73.958 flat angles C4'-P-C4' energy: -68.515 flat angles P-C4'-P energy: -42.867 tors. eta vs tors. theta energy: -97.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1000.704977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.704977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.704977 (E_RNA) where: Base-Base interactions energy: -654.255 where: short stacking energy: -303.792 Base-Backbone interact. energy: -0.515 local terms energy: -345.934918 where: bonds (distance) C4'-P energy: -62.837 bonds (distance) P-C4' energy: -74.056 flat angles C4'-P-C4' energy: -75.520 flat angles P-C4'-P energy: -48.121 tors. eta vs tors. theta energy: -85.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -862.774069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.774069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.774069 (E_RNA) where: Base-Base interactions energy: -540.101 where: short stacking energy: -269.215 Base-Backbone interact. energy: -0.116 local terms energy: -322.557802 where: bonds (distance) C4'-P energy: -61.856 bonds (distance) P-C4' energy: -72.282 flat angles C4'-P-C4' energy: -70.310 flat angles P-C4'-P energy: -58.311 tors. eta vs tors. theta energy: -59.799 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: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -719.454029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.454029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.454029 (E_RNA) where: Base-Base interactions energy: -409.107 where: short stacking energy: -224.504 Base-Backbone interact. energy: -1.344 local terms energy: -309.002218 where: bonds (distance) C4'-P energy: -59.653 bonds (distance) P-C4' energy: -79.029 flat angles C4'-P-C4' energy: -71.453 flat angles P-C4'-P energy: -51.380 tors. eta vs tors. theta energy: -47.488 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: 3 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -535.469166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.469166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.469166 (E_RNA) where: Base-Base interactions energy: -304.158 where: short stacking energy: -172.794 Base-Backbone interact. energy: -1.663 local terms energy: -229.648458 where: bonds (distance) C4'-P energy: -73.284 bonds (distance) P-C4' energy: -58.418 flat angles C4'-P-C4' energy: -58.831 flat angles P-C4'-P energy: -25.250 tors. eta vs tors. theta energy: -13.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -508.543380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.543380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.543380 (E_RNA) where: Base-Base interactions energy: -259.297 where: short stacking energy: -147.775 Base-Backbone interact. energy: -1.948 local terms energy: -247.297963 where: bonds (distance) C4'-P energy: -58.233 bonds (distance) P-C4' energy: -78.427 flat angles C4'-P-C4' energy: -61.647 flat angles P-C4'-P energy: -34.912 tors. eta vs tors. theta energy: -14.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -412.615613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.615613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.615613 (E_RNA) where: Base-Base interactions energy: -209.040 where: short stacking energy: -122.312 Base-Backbone interact. energy: 1.012 local terms energy: -204.587636 where: bonds (distance) C4'-P energy: -65.322 bonds (distance) P-C4' energy: -71.154 flat angles C4'-P-C4' energy: -47.071 flat angles P-C4'-P energy: -24.965 tors. eta vs tors. theta energy: 3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1384.440245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.440245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.440245 (E_RNA) where: Base-Base interactions energy: -940.339 where: short stacking energy: -438.868 Base-Backbone interact. energy: -0.512 local terms energy: -443.589124 where: bonds (distance) C4'-P energy: -72.556 bonds (distance) P-C4' energy: -79.762 flat angles C4'-P-C4' energy: -92.802 flat angles P-C4'-P energy: -72.581 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: 2, replica: 7 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1322.160987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.160987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.160987 (E_RNA) where: Base-Base interactions energy: -933.975 where: short stacking energy: -406.363 Base-Backbone interact. energy: 1.254 local terms energy: -389.439692 where: bonds (distance) C4'-P energy: -74.790 bonds (distance) P-C4' energy: -75.471 flat angles C4'-P-C4' energy: -75.967 flat angles P-C4'-P energy: -51.761 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: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1179.419669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.419669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.419669 (E_RNA) where: Base-Base interactions energy: -769.324 where: short stacking energy: -358.241 Base-Backbone interact. energy: -0.760 local terms energy: -409.335371 where: bonds (distance) C4'-P energy: -71.528 bonds (distance) P-C4' energy: -76.354 flat angles C4'-P-C4' energy: -90.223 flat angles P-C4'-P energy: -64.260 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: 4, replica: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1161.366053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.366053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.366053 (E_RNA) where: Base-Base interactions energy: -780.601 where: short stacking energy: -362.557 Base-Backbone interact. energy: -1.743 local terms energy: -379.021475 where: bonds (distance) C4'-P energy: -68.301 bonds (distance) P-C4' energy: -68.846 flat angles C4'-P-C4' energy: -80.352 flat angles P-C4'-P energy: -58.815 tors. eta vs tors. theta energy: -102.707 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: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1024.937812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.937812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.937812 (E_RNA) where: Base-Base interactions energy: -642.264 where: short stacking energy: -299.861 Base-Backbone interact. energy: -1.230 local terms energy: -381.443998 where: bonds (distance) C4'-P energy: -74.267 bonds (distance) P-C4' energy: -76.068 flat angles C4'-P-C4' energy: -83.134 flat angles P-C4'-P energy: -49.105 tors. eta vs tors. theta energy: -98.869 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: 265 Temperature: 1.150000 Total energy: -871.274277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.274277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.274277 (E_RNA) where: Base-Base interactions energy: -555.552 where: short stacking energy: -276.505 Base-Backbone interact. energy: -0.133 local terms energy: -315.589505 where: bonds (distance) C4'-P energy: -64.512 bonds (distance) P-C4' energy: -62.550 flat angles C4'-P-C4' energy: -83.572 flat angles P-C4'-P energy: -44.152 tors. eta vs tors. theta energy: -60.803 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: 7, replica: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -664.191469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.191469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.191469 (E_RNA) where: Base-Base interactions energy: -382.778 where: short stacking energy: -206.329 Base-Backbone interact. energy: 1.905 local terms energy: -283.318288 where: bonds (distance) C4'-P energy: -62.138 bonds (distance) P-C4' energy: -64.949 flat angles C4'-P-C4' energy: -75.655 flat angles P-C4'-P energy: -41.419 tors. eta vs tors. theta energy: -39.158 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: 8 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -520.361799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.361799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.361799 (E_RNA) where: Base-Base interactions energy: -268.188 where: short stacking energy: -180.879 Base-Backbone interact. energy: -0.281 local terms energy: -251.892257 where: bonds (distance) C4'-P energy: -67.604 bonds (distance) P-C4' energy: -65.832 flat angles C4'-P-C4' energy: -54.963 flat angles P-C4'-P energy: -38.957 tors. eta vs tors. theta energy: -24.536 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: 3 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -556.261407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.261407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.261407 (E_RNA) where: Base-Base interactions energy: -321.919 where: short stacking energy: -176.357 Base-Backbone interact. energy: -2.108 local terms energy: -232.233809 where: bonds (distance) C4'-P energy: -49.165 bonds (distance) P-C4' energy: -72.841 flat angles C4'-P-C4' energy: -46.855 flat angles P-C4'-P energy: -41.919 tors. eta vs tors. theta energy: -21.454 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: 5 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -445.581287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.581287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.581287 (E_RNA) where: Base-Base interactions energy: -219.756 where: short stacking energy: -126.700 Base-Backbone interact. energy: 3.096 local terms energy: -228.921330 where: bonds (distance) C4'-P energy: -66.943 bonds (distance) P-C4' energy: -75.029 flat angles C4'-P-C4' energy: -46.079 flat angles P-C4'-P energy: -38.580 tors. eta vs tors. theta energy: -2.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1385.568701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.568701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.568701 (E_RNA) where: Base-Base interactions energy: -927.476 where: short stacking energy: -418.202 Base-Backbone interact. energy: 0.158 local terms energy: -458.250504 where: bonds (distance) C4'-P energy: -86.821 bonds (distance) P-C4' energy: -81.001 flat angles C4'-P-C4' energy: -94.000 flat angles P-C4'-P energy: -66.272 tors. eta vs tors. theta energy: -130.157 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: 7 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1298.856980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.856980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.856980 (E_RNA) where: Base-Base interactions energy: -868.609 where: short stacking energy: -362.814 Base-Backbone interact. energy: -1.096 local terms energy: -429.152068 where: bonds (distance) C4'-P energy: -84.968 bonds (distance) P-C4' energy: -84.311 flat angles C4'-P-C4' energy: -93.769 flat angles P-C4'-P energy: -53.620 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: 3, replica: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1183.639611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.639611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.639611 (E_RNA) where: Base-Base interactions energy: -790.161 where: short stacking energy: -349.734 Base-Backbone interact. energy: -0.858 local terms energy: -392.620230 where: bonds (distance) C4'-P energy: -73.336 bonds (distance) P-C4' energy: -76.530 flat angles C4'-P-C4' energy: -81.188 flat angles P-C4'-P energy: -59.540 tors. eta vs tors. theta energy: -102.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1140.640796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.640796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.640796 (E_RNA) where: Base-Base interactions energy: -765.470 where: short stacking energy: -349.678 Base-Backbone interact. energy: -0.369 local terms energy: -374.801250 where: bonds (distance) C4'-P energy: -73.639 bonds (distance) P-C4' energy: -69.698 flat angles C4'-P-C4' energy: -77.341 flat angles P-C4'-P energy: -54.996 tors. eta vs tors. theta energy: -99.127 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: 266 Temperature: 1.100000 Total energy: -1010.640957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.640957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.640957 (E_RNA) where: Base-Base interactions energy: -640.495 where: short stacking energy: -300.132 Base-Backbone interact. energy: 1.623 local terms energy: -371.768949 where: bonds (distance) C4'-P energy: -76.462 bonds (distance) P-C4' energy: -78.121 flat angles C4'-P-C4' energy: -79.896 flat angles P-C4'-P energy: -46.980 tors. eta vs tors. theta energy: -90.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -853.809954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.809954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.809954 (E_RNA) where: Base-Base interactions energy: -545.172 where: short stacking energy: -252.535 Base-Backbone interact. energy: -2.581 local terms energy: -306.057376 where: bonds (distance) C4'-P energy: -71.683 bonds (distance) P-C4' energy: -69.793 flat angles C4'-P-C4' energy: -74.566 flat angles P-C4'-P energy: -43.307 tors. eta vs tors. theta energy: -46.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -683.291627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.291627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.291627 (E_RNA) where: Base-Base interactions energy: -401.000 where: short stacking energy: -229.066 Base-Backbone interact. energy: -0.145 local terms energy: -282.146746 where: bonds (distance) C4'-P energy: -61.699 bonds (distance) P-C4' energy: -71.696 flat angles C4'-P-C4' energy: -71.270 flat angles P-C4'-P energy: -38.088 tors. eta vs tors. theta energy: -39.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -516.473448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.473448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.473448 (E_RNA) where: Base-Base interactions energy: -271.541 where: short stacking energy: -179.386 Base-Backbone interact. energy: 5.181 local terms energy: -250.114245 where: bonds (distance) C4'-P energy: -54.117 bonds (distance) P-C4' energy: -79.985 flat angles C4'-P-C4' energy: -59.394 flat angles P-C4'-P energy: -34.310 tors. eta vs tors. theta energy: -22.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -575.544656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.544656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.544656 (E_RNA) where: Base-Base interactions energy: -333.969 where: short stacking energy: -175.833 Base-Backbone interact. energy: 0.711 local terms energy: -242.287196 where: bonds (distance) C4'-P energy: -52.736 bonds (distance) P-C4' energy: -65.355 flat angles C4'-P-C4' energy: -65.881 flat angles P-C4'-P energy: -38.734 tors. eta vs tors. theta energy: -19.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -459.002236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.002236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.002236 (E_RNA) where: Base-Base interactions energy: -222.797 where: short stacking energy: -140.166 Base-Backbone interact. energy: 6.019 local terms energy: -242.224465 where: bonds (distance) C4'-P energy: -69.204 bonds (distance) P-C4' energy: -67.628 flat angles C4'-P-C4' energy: -51.276 flat angles P-C4'-P energy: -48.096 tors. eta vs tors. theta energy: -6.019 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: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1382.055221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.055221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.055221 (E_RNA) where: Base-Base interactions energy: -944.861 where: short stacking energy: -429.206 Base-Backbone interact. energy: -0.667 local terms energy: -436.527212 where: bonds (distance) C4'-P energy: -75.636 bonds (distance) P-C4' energy: -79.700 flat angles C4'-P-C4' energy: -96.109 flat angles P-C4'-P energy: -61.579 tors. eta vs tors. theta energy: -123.503 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: 2, replica: 7 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1310.652111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.652111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.652111 (E_RNA) where: Base-Base interactions energy: -893.943 where: short stacking energy: -361.099 Base-Backbone interact. energy: -0.839 local terms energy: -415.870585 where: bonds (distance) C4'-P energy: -90.817 bonds (distance) P-C4' energy: -72.846 flat angles C4'-P-C4' energy: -80.492 flat angles P-C4'-P energy: -64.127 tors. eta vs tors. theta energy: -107.589 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: 9 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1180.222545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.222545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.222545 (E_RNA) where: Base-Base interactions energy: -779.404 where: short stacking energy: -376.257 Base-Backbone interact. energy: -1.453 local terms energy: -399.366000 where: bonds (distance) C4'-P energy: -67.889 bonds (distance) P-C4' energy: -83.088 flat angles C4'-P-C4' energy: -84.074 flat angles P-C4'-P energy: -57.257 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: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1161.369118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.369118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.369118 (E_RNA) where: Base-Base interactions energy: -776.941 where: short stacking energy: -379.994 Base-Backbone interact. energy: -0.853 local terms energy: -383.575595 where: bonds (distance) C4'-P energy: -69.926 bonds (distance) P-C4' energy: -63.473 flat angles C4'-P-C4' energy: -81.846 flat angles P-C4'-P energy: -52.760 tors. eta vs tors. theta energy: -115.572 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: 5, replica: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1034.461252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.461252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.461252 (E_RNA) where: Base-Base interactions energy: -653.607 where: short stacking energy: -317.416 Base-Backbone interact. energy: -1.234 local terms energy: -379.619402 where: bonds (distance) C4'-P energy: -69.009 bonds (distance) P-C4' energy: -66.418 flat angles C4'-P-C4' energy: -82.926 flat angles P-C4'-P energy: -60.980 tors. eta vs tors. theta energy: -100.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -859.681192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.681192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.681192 (E_RNA) where: Base-Base interactions energy: -539.340 where: short stacking energy: -247.586 Base-Backbone interact. energy: 2.363 local terms energy: -322.703400 where: bonds (distance) C4'-P energy: -66.896 bonds (distance) P-C4' energy: -68.144 flat angles C4'-P-C4' energy: -75.033 flat angles P-C4'-P energy: -54.923 tors. eta vs tors. theta energy: -57.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -687.564578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.564578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.564578 (E_RNA) where: Base-Base interactions energy: -392.200 where: short stacking energy: -213.412 Base-Backbone interact. energy: -0.854 local terms energy: -294.510320 where: bonds (distance) C4'-P energy: -63.107 bonds (distance) P-C4' energy: -76.623 flat angles C4'-P-C4' energy: -77.520 flat angles P-C4'-P energy: -27.554 tors. eta vs tors. theta energy: -49.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -588.802739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.802739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.802739 (E_RNA) where: Base-Base interactions energy: -327.816 where: short stacking energy: -171.587 Base-Backbone interact. energy: 0.155 local terms energy: -261.141620 where: bonds (distance) C4'-P energy: -67.940 bonds (distance) P-C4' energy: -59.135 flat angles C4'-P-C4' energy: -69.335 flat angles P-C4'-P energy: -47.967 tors. eta vs tors. theta energy: -16.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -481.472906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.472906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.472906 (E_RNA) where: Base-Base interactions energy: -223.414 where: short stacking energy: -126.109 Base-Backbone interact. energy: -0.668 local terms energy: -257.390908 where: bonds (distance) C4'-P energy: -72.644 bonds (distance) P-C4' energy: -68.800 flat angles C4'-P-C4' energy: -62.425 flat angles P-C4'-P energy: -40.804 tors. eta vs tors. theta energy: -12.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -531.297724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.297724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.297724 (E_RNA) where: Base-Base interactions energy: -300.345 where: short stacking energy: -168.535 Base-Backbone interact. energy: 0.028 local terms energy: -230.980541 where: bonds (distance) C4'-P energy: -54.914 bonds (distance) P-C4' energy: -59.872 flat angles C4'-P-C4' energy: -66.058 flat angles P-C4'-P energy: -31.430 tors. eta vs tors. theta energy: -18.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1371.166973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.166973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.166973 (E_RNA) where: Base-Base interactions energy: -932.251 where: short stacking energy: -436.030 Base-Backbone interact. energy: 0.035 local terms energy: -438.950334 where: bonds (distance) C4'-P energy: -75.306 bonds (distance) P-C4' energy: -81.572 flat angles C4'-P-C4' energy: -94.516 flat angles P-C4'-P energy: -59.420 tors. eta vs tors. theta energy: -128.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1302.964419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.964419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.964419 (E_RNA) where: Base-Base interactions energy: -892.539 where: short stacking energy: -370.431 Base-Backbone interact. energy: -1.663 local terms energy: -408.761589 where: bonds (distance) C4'-P energy: -77.969 bonds (distance) P-C4' energy: -73.900 flat angles C4'-P-C4' energy: -88.443 flat angles P-C4'-P energy: -58.973 tors. eta vs tors. theta energy: -109.477 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: 3, replica: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1164.901224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.901224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.901224 (E_RNA) where: Base-Base interactions energy: -786.845 where: short stacking energy: -366.527 Base-Backbone interact. energy: -0.999 local terms energy: -377.057805 where: bonds (distance) C4'-P energy: -63.213 bonds (distance) P-C4' energy: -79.095 flat angles C4'-P-C4' energy: -74.490 flat angles P-C4'-P energy: -51.320 tors. eta vs tors. theta energy: -108.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1166.584056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.584056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.584056 (E_RNA) where: Base-Base interactions energy: -776.847 where: short stacking energy: -360.245 Base-Backbone interact. energy: 1.954 local terms energy: -391.690604 where: bonds (distance) C4'-P energy: -71.491 bonds (distance) P-C4' energy: -72.462 flat angles C4'-P-C4' energy: -82.743 flat angles P-C4'-P energy: -61.188 tors. eta vs tors. theta energy: -103.807 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: 5, replica: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1005.162329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.162329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.162329 (E_RNA) where: Base-Base interactions energy: -678.212 where: short stacking energy: -312.957 Base-Backbone interact. energy: -1.099 local terms energy: -325.851505 where: bonds (distance) C4'-P energy: -71.379 bonds (distance) P-C4' energy: -58.810 flat angles C4'-P-C4' energy: -72.538 flat angles P-C4'-P energy: -39.968 tors. eta vs tors. theta energy: -83.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -869.823669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.823669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.823669 (E_RNA) where: Base-Base interactions energy: -558.021 where: short stacking energy: -260.130 Base-Backbone interact. energy: -0.818 local terms energy: -310.984257 where: bonds (distance) C4'-P energy: -60.860 bonds (distance) P-C4' energy: -80.487 flat angles C4'-P-C4' energy: -66.784 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -54.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -669.092724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.092724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.092724 (E_RNA) where: Base-Base interactions energy: -396.460 where: short stacking energy: -216.876 Base-Backbone interact. energy: -1.381 local terms energy: -271.251126 where: bonds (distance) C4'-P energy: -57.853 bonds (distance) P-C4' energy: -73.493 flat angles C4'-P-C4' energy: -60.302 flat angles P-C4'-P energy: -43.313 tors. eta vs tors. theta energy: -36.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -613.597255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.597255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.597255 (E_RNA) where: Base-Base interactions energy: -322.214 where: short stacking energy: -181.771 Base-Backbone interact. energy: -1.071 local terms energy: -290.311623 where: bonds (distance) C4'-P energy: -53.675 bonds (distance) P-C4' energy: -82.248 flat angles C4'-P-C4' energy: -69.957 flat angles P-C4'-P energy: -45.948 tors. eta vs tors. theta energy: -38.483 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: 9, replica: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -543.814746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.814746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.814746 (E_RNA) where: Base-Base interactions energy: -292.136 where: short stacking energy: -164.683 Base-Backbone interact. energy: -0.346 local terms energy: -251.332920 where: bonds (distance) C4'-P energy: -59.104 bonds (distance) P-C4' energy: -66.264 flat angles C4'-P-C4' energy: -58.132 flat angles P-C4'-P energy: -53.947 tors. eta vs tors. theta energy: -13.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -465.325908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.325908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.325908 (E_RNA) where: Base-Base interactions energy: -238.075 where: short stacking energy: -129.627 Base-Backbone interact. energy: 0.267 local terms energy: -227.518544 where: bonds (distance) C4'-P energy: -60.743 bonds (distance) P-C4' energy: -68.593 flat angles C4'-P-C4' energy: -55.424 flat angles P-C4'-P energy: -35.862 tors. eta vs tors. theta energy: -6.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1372.916543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.916543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.916543 (E_RNA) where: Base-Base interactions energy: -924.484 where: short stacking energy: -425.070 Base-Backbone interact. energy: 0.429 local terms energy: -448.861530 where: bonds (distance) C4'-P energy: -79.827 bonds (distance) P-C4' energy: -80.798 flat angles C4'-P-C4' energy: -94.896 flat angles P-C4'-P energy: -57.662 tors. eta vs tors. theta energy: -135.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1293.989386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.989386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.989386 (E_RNA) where: Base-Base interactions energy: -874.689 where: short stacking energy: -342.102 Base-Backbone interact. energy: -1.480 local terms energy: -417.820675 where: bonds (distance) C4'-P energy: -79.994 bonds (distance) P-C4' energy: -80.648 flat angles C4'-P-C4' energy: -87.214 flat angles P-C4'-P energy: -68.303 tors. eta vs tors. theta energy: -101.662 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: 9 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1171.416393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.416393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.416393 (E_RNA) where: Base-Base interactions energy: -788.629 where: short stacking energy: -363.694 Base-Backbone interact. energy: -2.384 local terms energy: -380.403991 where: bonds (distance) C4'-P energy: -66.852 bonds (distance) P-C4' energy: -78.307 flat angles C4'-P-C4' energy: -81.130 flat angles P-C4'-P energy: -55.992 tors. eta vs tors. theta energy: -98.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1176.575188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.575188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.575188 (E_RNA) where: Base-Base interactions energy: -784.230 where: short stacking energy: -353.157 Base-Backbone interact. energy: -0.839 local terms energy: -391.506639 where: bonds (distance) C4'-P energy: -76.819 bonds (distance) P-C4' energy: -75.032 flat angles C4'-P-C4' energy: -88.793 flat angles P-C4'-P energy: -51.832 tors. eta vs tors. theta energy: -99.031 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: 5, replica: 4 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -970.180951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.180951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.180951 (E_RNA) where: Base-Base interactions energy: -620.169 where: short stacking energy: -315.022 Base-Backbone interact. energy: 0.136 local terms energy: -350.147869 where: bonds (distance) C4'-P energy: -72.917 bonds (distance) P-C4' energy: -69.221 flat angles C4'-P-C4' energy: -77.560 flat angles P-C4'-P energy: -49.971 tors. eta vs tors. theta energy: -80.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -810.425041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.425041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.425041 (E_RNA) where: Base-Base interactions energy: -485.460 where: short stacking energy: -238.805 Base-Backbone interact. energy: 1.577 local terms energy: -326.542161 where: bonds (distance) C4'-P energy: -63.713 bonds (distance) P-C4' energy: -77.698 flat angles C4'-P-C4' energy: -82.696 flat angles P-C4'-P energy: -42.782 tors. eta vs tors. theta energy: -59.653 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: 6 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -674.685844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.685844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.685844 (E_RNA) where: Base-Base interactions energy: -397.598 where: short stacking energy: -196.139 Base-Backbone interact. energy: -0.228 local terms energy: -276.859202 where: bonds (distance) C4'-P energy: -66.996 bonds (distance) P-C4' energy: -64.314 flat angles C4'-P-C4' energy: -69.209 flat angles P-C4'-P energy: -38.375 tors. eta vs tors. theta energy: -37.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -567.321827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.321827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.321827 (E_RNA) where: Base-Base interactions energy: -307.598 where: short stacking energy: -180.129 Base-Backbone interact. energy: -0.480 local terms energy: -259.244178 where: bonds (distance) C4'-P energy: -69.085 bonds (distance) P-C4' energy: -65.308 flat angles C4'-P-C4' energy: -73.443 flat angles P-C4'-P energy: -21.495 tors. eta vs tors. theta energy: -29.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -532.264685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.264685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.264685 (E_RNA) where: Base-Base interactions energy: -310.480 where: short stacking energy: -180.467 Base-Backbone interact. energy: 1.358 local terms energy: -223.142921 where: bonds (distance) C4'-P energy: -54.596 bonds (distance) P-C4' energy: -59.842 flat angles C4'-P-C4' energy: -70.597 flat angles P-C4'-P energy: -30.434 tors. eta vs tors. theta energy: -7.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -500.649710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.649710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.649710 (E_RNA) where: Base-Base interactions energy: -254.561 where: short stacking energy: -149.915 Base-Backbone interact. energy: -2.548 local terms energy: -243.539775 where: bonds (distance) C4'-P energy: -72.762 bonds (distance) P-C4' energy: -76.498 flat angles C4'-P-C4' energy: -55.708 flat angles P-C4'-P energy: -24.264 tors. eta vs tors. theta energy: -14.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1383.422266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.422266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.422266 (E_RNA) where: Base-Base interactions energy: -933.423 where: short stacking energy: -430.389 Base-Backbone interact. energy: -0.335 local terms energy: -449.663963 where: bonds (distance) C4'-P energy: -78.320 bonds (distance) P-C4' energy: -88.883 flat angles C4'-P-C4' energy: -95.004 flat angles P-C4'-P energy: -59.811 tors. eta vs tors. theta energy: -127.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1310.978293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.978293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.978293 (E_RNA) where: Base-Base interactions energy: -904.688 where: short stacking energy: -377.694 Base-Backbone interact. energy: -0.658 local terms energy: -405.631438 where: bonds (distance) C4'-P energy: -71.611 bonds (distance) P-C4' energy: -85.738 flat angles C4'-P-C4' energy: -84.494 flat angles P-C4'-P energy: -48.383 tors. eta vs tors. theta energy: -115.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1179.867187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.867187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.867187 (E_RNA) where: Base-Base interactions energy: -783.588 where: short stacking energy: -356.855 Base-Backbone interact. energy: -1.945 local terms energy: -394.333616 where: bonds (distance) C4'-P energy: -74.764 bonds (distance) P-C4' energy: -81.850 flat angles C4'-P-C4' energy: -89.771 flat angles P-C4'-P energy: -48.508 tors. eta vs tors. theta energy: -99.441 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: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1192.378942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.378942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.378942 (E_RNA) where: Base-Base interactions energy: -785.792 where: short stacking energy: -340.683 Base-Backbone interact. energy: -0.694 local terms energy: -405.892817 where: bonds (distance) C4'-P energy: -70.932 bonds (distance) P-C4' energy: -81.811 flat angles C4'-P-C4' energy: -88.864 flat angles P-C4'-P energy: -59.760 tors. eta vs tors. theta energy: -104.526 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: 4 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -955.129610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.129610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.129610 (E_RNA) where: Base-Base interactions energy: -593.226 where: short stacking energy: -265.160 Base-Backbone interact. energy: 1.982 local terms energy: -363.885423 where: bonds (distance) C4'-P energy: -80.910 bonds (distance) P-C4' energy: -81.312 flat angles C4'-P-C4' energy: -69.646 flat angles P-C4'-P energy: -57.721 tors. eta vs tors. theta energy: -74.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -864.360383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.360383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.360383 (E_RNA) where: Base-Base interactions energy: -542.408 where: short stacking energy: -263.861 Base-Backbone interact. energy: -1.002 local terms energy: -320.950335 where: bonds (distance) C4'-P energy: -71.497 bonds (distance) P-C4' energy: -67.305 flat angles C4'-P-C4' energy: -54.712 flat angles P-C4'-P energy: -52.812 tors. eta vs tors. theta energy: -74.624 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: 7, replica: 6 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -667.511927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.511927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.511927 (E_RNA) where: Base-Base interactions energy: -375.014 where: short stacking energy: -208.825 Base-Backbone interact. energy: -1.242 local terms energy: -291.255896 where: bonds (distance) C4'-P energy: -77.571 bonds (distance) P-C4' energy: -78.071 flat angles C4'-P-C4' energy: -62.281 flat angles P-C4'-P energy: -37.809 tors. eta vs tors. theta energy: -35.524 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: 270 Temperature: 1.250000 Total energy: -547.045119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.045119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.045119 (E_RNA) where: Base-Base interactions energy: -296.982 where: short stacking energy: -168.464 Base-Backbone interact. energy: 1.538 local terms energy: -251.601966 where: bonds (distance) C4'-P energy: -67.331 bonds (distance) P-C4' energy: -74.101 flat angles C4'-P-C4' energy: -68.414 flat angles P-C4'-P energy: -30.866 tors. eta vs tors. theta energy: -10.889 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: 5 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -491.006514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.006514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.006514 (E_RNA) where: Base-Base interactions energy: -243.333 where: short stacking energy: -125.811 Base-Backbone interact. energy: 3.449 local terms energy: -251.122506 where: bonds (distance) C4'-P energy: -66.044 bonds (distance) P-C4' energy: -84.515 flat angles C4'-P-C4' energy: -54.460 flat angles P-C4'-P energy: -38.699 tors. eta vs tors. theta energy: -7.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -503.747750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.747750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.747750 (E_RNA) where: Base-Base interactions energy: -266.012 where: short stacking energy: -148.648 Base-Backbone interact. energy: -2.059 local terms energy: -235.676196 where: bonds (distance) C4'-P energy: -61.230 bonds (distance) P-C4' energy: -64.999 flat angles C4'-P-C4' energy: -65.077 flat angles P-C4'-P energy: -31.468 tors. eta vs tors. theta energy: -12.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1381.829154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.829154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.829154 (E_RNA) where: Base-Base interactions energy: -930.365 where: short stacking energy: -417.503 Base-Backbone interact. energy: -1.096 local terms energy: -450.367929 where: bonds (distance) C4'-P energy: -80.701 bonds (distance) P-C4' energy: -83.165 flat angles C4'-P-C4' energy: -89.218 flat angles P-C4'-P energy: -70.434 tors. eta vs tors. theta energy: -126.849 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: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1306.321793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.321793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.321793 (E_RNA) where: Base-Base interactions energy: -890.648 where: short stacking energy: -381.410 Base-Backbone interact. energy: -2.093 local terms energy: -413.581383 where: bonds (distance) C4'-P energy: -81.907 bonds (distance) P-C4' energy: -79.527 flat angles C4'-P-C4' energy: -88.199 flat angles P-C4'-P energy: -53.447 tors. eta vs tors. theta energy: -110.501 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: 9 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1166.107601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.107601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.107601 (E_RNA) where: Base-Base interactions energy: -772.514 where: short stacking energy: -374.354 Base-Backbone interact. energy: -0.058 local terms energy: -393.535103 where: bonds (distance) C4'-P energy: -73.664 bonds (distance) P-C4' energy: -77.922 flat angles C4'-P-C4' energy: -84.176 flat angles P-C4'-P energy: -50.371 tors. eta vs tors. theta energy: -107.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1151.691926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.691926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.691926 (E_RNA) where: Base-Base interactions energy: -782.926 where: short stacking energy: -340.534 Base-Backbone interact. energy: -1.000 local terms energy: -367.765696 where: bonds (distance) C4'-P energy: -67.702 bonds (distance) P-C4' energy: -79.482 flat angles C4'-P-C4' energy: -84.005 flat angles P-C4'-P energy: -52.753 tors. eta vs tors. theta energy: -83.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -898.610463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.610463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.610463 (E_RNA) where: Base-Base interactions energy: -577.092 where: short stacking energy: -277.074 Base-Backbone interact. energy: 1.520 local terms energy: -323.039224 where: bonds (distance) C4'-P energy: -76.513 bonds (distance) P-C4' energy: -77.351 flat angles C4'-P-C4' energy: -68.344 flat angles P-C4'-P energy: -40.220 tors. eta vs tors. theta energy: -60.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -868.791917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.791917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.791917 (E_RNA) where: Base-Base interactions energy: -541.724 where: short stacking energy: -271.496 Base-Backbone interact. energy: -0.008 local terms energy: -327.060007 where: bonds (distance) C4'-P energy: -58.056 bonds (distance) P-C4' energy: -84.470 flat angles C4'-P-C4' energy: -74.409 flat angles P-C4'-P energy: -45.529 tors. eta vs tors. theta energy: -64.596 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: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -690.211372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.211372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.211372 (E_RNA) where: Base-Base interactions energy: -396.190 where: short stacking energy: -231.245 Base-Backbone interact. energy: -0.604 local terms energy: -293.417680 where: bonds (distance) C4'-P energy: -70.143 bonds (distance) P-C4' energy: -74.656 flat angles C4'-P-C4' energy: -58.385 flat angles P-C4'-P energy: -44.204 tors. eta vs tors. theta energy: -46.030 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: 271 Temperature: 1.250000 Total energy: -588.448799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.448799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.448799 (E_RNA) where: Base-Base interactions energy: -317.260 where: short stacking energy: -184.527 Base-Backbone interact. energy: -1.279 local terms energy: -269.909642 where: bonds (distance) C4'-P energy: -61.491 bonds (distance) P-C4' energy: -65.114 flat angles C4'-P-C4' energy: -66.267 flat angles P-C4'-P energy: -49.211 tors. eta vs tors. theta energy: -27.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -468.361180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.361180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.361180 (E_RNA) where: Base-Base interactions energy: -211.581 where: short stacking energy: -131.234 Base-Backbone interact. energy: 8.888 local terms energy: -265.668101 where: bonds (distance) C4'-P energy: -74.494 bonds (distance) P-C4' energy: -75.904 flat angles C4'-P-C4' energy: -69.093 flat angles P-C4'-P energy: -35.182 tors. eta vs tors. theta energy: -10.995 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: 271 Temperature: 1.350000 Total energy: -476.375458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.375458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.375458 (E_RNA) where: Base-Base interactions energy: -237.143 where: short stacking energy: -139.563 Base-Backbone interact. energy: 2.472 local terms energy: -241.704534 where: bonds (distance) C4'-P energy: -64.269 bonds (distance) P-C4' energy: -70.917 flat angles C4'-P-C4' energy: -43.956 flat angles P-C4'-P energy: -42.645 tors. eta vs tors. theta energy: -19.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1383.355594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.355594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.355594 (E_RNA) where: Base-Base interactions energy: -927.509 where: short stacking energy: -434.841 Base-Backbone interact. energy: -0.546 local terms energy: -455.300841 where: bonds (distance) C4'-P energy: -84.116 bonds (distance) P-C4' energy: -79.623 flat angles C4'-P-C4' energy: -92.321 flat angles P-C4'-P energy: -60.532 tors. eta vs tors. theta energy: -138.709 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: 7 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1296.354216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.354216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.354216 (E_RNA) where: Base-Base interactions energy: -870.636 where: short stacking energy: -361.591 Base-Backbone interact. energy: -2.142 local terms energy: -423.575807 where: bonds (distance) C4'-P energy: -75.470 bonds (distance) P-C4' energy: -92.571 flat angles C4'-P-C4' energy: -88.230 flat angles P-C4'-P energy: -55.993 tors. eta vs tors. theta energy: -111.312 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: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1178.961236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.961236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.961236 (E_RNA) where: Base-Base interactions energy: -773.893 where: short stacking energy: -360.642 Base-Backbone interact. energy: -1.512 local terms energy: -403.555886 where: bonds (distance) C4'-P energy: -73.594 bonds (distance) P-C4' energy: -71.341 flat angles C4'-P-C4' energy: -93.210 flat angles P-C4'-P energy: -55.452 tors. eta vs tors. theta energy: -109.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1125.165952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.165952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.165952 (E_RNA) where: Base-Base interactions energy: -749.298 where: short stacking energy: -336.933 Base-Backbone interact. energy: -2.311 local terms energy: -373.556872 where: bonds (distance) C4'-P energy: -68.117 bonds (distance) P-C4' energy: -80.348 flat angles C4'-P-C4' energy: -79.899 flat angles P-C4'-P energy: -50.969 tors. eta vs tors. theta energy: -94.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -934.052436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.052436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.052436 (E_RNA) where: Base-Base interactions energy: -567.158 where: short stacking energy: -289.580 Base-Backbone interact. energy: -0.672 local terms energy: -366.222842 where: bonds (distance) C4'-P energy: -74.160 bonds (distance) P-C4' energy: -78.421 flat angles C4'-P-C4' energy: -76.005 flat angles P-C4'-P energy: -58.994 tors. eta vs tors. theta energy: -78.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -903.544757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.544757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.544757 (E_RNA) where: Base-Base interactions energy: -569.063 where: short stacking energy: -274.038 Base-Backbone interact. energy: -0.759 local terms energy: -333.722934 where: bonds (distance) C4'-P energy: -73.062 bonds (distance) P-C4' energy: -65.079 flat angles C4'-P-C4' energy: -74.267 flat angles P-C4'-P energy: -53.479 tors. eta vs tors. theta energy: -67.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -673.552850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.552850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.552850 (E_RNA) where: Base-Base interactions energy: -399.409 where: short stacking energy: -210.412 Base-Backbone interact. energy: -0.189 local terms energy: -273.954696 where: bonds (distance) C4'-P energy: -60.736 bonds (distance) P-C4' energy: -74.763 flat angles C4'-P-C4' energy: -71.668 flat angles P-C4'-P energy: -34.895 tors. eta vs tors. theta energy: -31.892 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: 8, replica: 3 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -555.340277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.340277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.340277 (E_RNA) where: Base-Base interactions energy: -291.107 where: short stacking energy: -144.867 Base-Backbone interact. energy: -2.541 local terms energy: -261.693114 where: bonds (distance) C4'-P energy: -65.856 bonds (distance) P-C4' energy: -75.737 flat angles C4'-P-C4' energy: -68.593 flat angles P-C4'-P energy: -29.772 tors. eta vs tors. theta energy: -21.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -528.146987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.146987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.146987 (E_RNA) where: Base-Base interactions energy: -275.656 where: short stacking energy: -158.470 Base-Backbone interact. energy: -3.519 local terms energy: -248.972135 where: bonds (distance) C4'-P energy: -67.613 bonds (distance) P-C4' energy: -77.415 flat angles C4'-P-C4' energy: -58.698 flat angles P-C4'-P energy: -33.878 tors. eta vs tors. theta energy: -11.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -434.234155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.234155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.234155 (E_RNA) where: Base-Base interactions energy: -237.719 where: short stacking energy: -134.386 Base-Backbone interact. energy: -0.571 local terms energy: -195.943968 where: bonds (distance) C4'-P energy: -70.808 bonds (distance) P-C4' energy: -59.927 flat angles C4'-P-C4' energy: -53.898 flat angles P-C4'-P energy: -15.167 tors. eta vs tors. theta energy: 3.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1366.853450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.853450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.853450 (E_RNA) where: Base-Base interactions energy: -924.673 where: short stacking energy: -416.494 Base-Backbone interact. energy: -0.852 local terms energy: -441.327909 where: bonds (distance) C4'-P energy: -69.751 bonds (distance) P-C4' energy: -84.527 flat angles C4'-P-C4' energy: -89.894 flat angles P-C4'-P energy: -76.502 tors. eta vs tors. theta energy: -120.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1286.827520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.827520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.827520 (E_RNA) where: Base-Base interactions energy: -874.000 where: short stacking energy: -378.176 Base-Backbone interact. energy: -1.284 local terms energy: -411.544220 where: bonds (distance) C4'-P energy: -76.860 bonds (distance) P-C4' energy: -77.839 flat angles C4'-P-C4' energy: -85.869 flat angles P-C4'-P energy: -65.658 tors. eta vs tors. theta energy: -105.318 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: 273 Temperature: 1.000000 Total energy: -1193.103702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.103702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.103702 (E_RNA) where: Base-Base interactions energy: -802.152 where: short stacking energy: -394.197 Base-Backbone interact. energy: -1.870 local terms energy: -389.081079 where: bonds (distance) C4'-P energy: -76.471 bonds (distance) P-C4' energy: -76.314 flat angles C4'-P-C4' energy: -74.180 flat angles P-C4'-P energy: -50.280 tors. eta vs tors. theta energy: -111.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1097.734469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.734469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.734469 (E_RNA) where: Base-Base interactions energy: -748.538 where: short stacking energy: -317.654 Base-Backbone interact. energy: -1.659 local terms energy: -347.537064 where: bonds (distance) C4'-P energy: -68.480 bonds (distance) P-C4' energy: -75.357 flat angles C4'-P-C4' energy: -70.535 flat angles P-C4'-P energy: -49.253 tors. eta vs tors. theta energy: -83.911 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: 1 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -888.043518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.043518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.043518 (E_RNA) where: Base-Base interactions energy: -547.954 where: short stacking energy: -275.823 Base-Backbone interact. energy: -0.752 local terms energy: -339.336951 where: bonds (distance) C4'-P energy: -70.274 bonds (distance) P-C4' energy: -74.911 flat angles C4'-P-C4' energy: -81.078 flat angles P-C4'-P energy: -42.786 tors. eta vs tors. theta energy: -70.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -881.962734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.962734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.962734 (E_RNA) where: Base-Base interactions energy: -558.042 where: short stacking energy: -256.318 Base-Backbone interact. energy: -1.330 local terms energy: -322.590532 where: bonds (distance) C4'-P energy: -77.351 bonds (distance) P-C4' energy: -76.076 flat angles C4'-P-C4' energy: -59.501 flat angles P-C4'-P energy: -48.130 tors. eta vs tors. theta energy: -61.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -678.926828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.926828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.926828 (E_RNA) where: Base-Base interactions energy: -403.190 where: short stacking energy: -227.384 Base-Backbone interact. energy: 1.376 local terms energy: -277.112556 where: bonds (distance) C4'-P energy: -67.277 bonds (distance) P-C4' energy: -81.100 flat angles C4'-P-C4' energy: -52.090 flat angles P-C4'-P energy: -41.705 tors. eta vs tors. theta energy: -34.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -516.007315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.007315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.007315 (E_RNA) where: Base-Base interactions energy: -250.359 where: short stacking energy: -147.966 Base-Backbone interact. energy: -0.380 local terms energy: -265.267911 where: bonds (distance) C4'-P energy: -71.603 bonds (distance) P-C4' energy: -76.495 flat angles C4'-P-C4' energy: -66.458 flat angles P-C4'-P energy: -41.997 tors. eta vs tors. theta energy: -8.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -472.939951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.939951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.939951 (E_RNA) where: Base-Base interactions energy: -243.102 where: short stacking energy: -143.580 Base-Backbone interact. energy: -1.322 local terms energy: -228.516259 where: bonds (distance) C4'-P energy: -65.349 bonds (distance) P-C4' energy: -56.918 flat angles C4'-P-C4' energy: -61.191 flat angles P-C4'-P energy: -27.902 tors. eta vs tors. theta energy: -17.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -453.461563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.461563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.461563 (E_RNA) where: Base-Base interactions energy: -232.794 where: short stacking energy: -146.116 Base-Backbone interact. energy: 1.689 local terms energy: -222.356794 where: bonds (distance) C4'-P energy: -58.886 bonds (distance) P-C4' energy: -56.470 flat angles C4'-P-C4' energy: -71.557 flat angles P-C4'-P energy: -37.892 tors. eta vs tors. theta energy: 2.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1349.978953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.978953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.978953 (E_RNA) where: Base-Base interactions energy: -909.670 where: short stacking energy: -404.502 Base-Backbone interact. energy: -0.608 local terms energy: -439.700399 where: bonds (distance) C4'-P energy: -81.514 bonds (distance) P-C4' energy: -81.941 flat angles C4'-P-C4' energy: -84.991 flat angles P-C4'-P energy: -66.622 tors. eta vs tors. theta energy: -124.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1270.463803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.463803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.463803 (E_RNA) where: Base-Base interactions energy: -875.455 where: short stacking energy: -364.509 Base-Backbone interact. energy: 0.521 local terms energy: -395.530215 where: bonds (distance) C4'-P energy: -71.528 bonds (distance) P-C4' energy: -79.810 flat angles C4'-P-C4' energy: -81.328 flat angles P-C4'-P energy: -51.143 tors. eta vs tors. theta energy: -111.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1177.026487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.026487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.026487 (E_RNA) where: Base-Base interactions energy: -781.389 where: short stacking energy: -380.545 Base-Backbone interact. energy: -1.882 local terms energy: -393.755819 where: bonds (distance) C4'-P energy: -61.696 bonds (distance) P-C4' energy: -76.644 flat angles C4'-P-C4' energy: -91.753 flat angles P-C4'-P energy: -44.088 tors. eta vs tors. theta energy: -119.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1103.104879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.104879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.104879 (E_RNA) where: Base-Base interactions energy: -734.532 where: short stacking energy: -336.997 Base-Backbone interact. energy: -0.314 local terms energy: -368.258825 where: bonds (distance) C4'-P energy: -69.135 bonds (distance) P-C4' energy: -66.865 flat angles C4'-P-C4' energy: -90.470 flat angles P-C4'-P energy: -52.769 tors. eta vs tors. theta energy: -89.019 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: 1 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -903.020399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.020399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.020399 (E_RNA) where: Base-Base interactions energy: -575.072 where: short stacking energy: -265.094 Base-Backbone interact. energy: 1.566 local terms energy: -329.514711 where: bonds (distance) C4'-P energy: -62.324 bonds (distance) P-C4' energy: -74.543 flat angles C4'-P-C4' energy: -75.317 flat angles P-C4'-P energy: -42.253 tors. eta vs tors. theta energy: -75.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -882.730237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.730237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.730237 (E_RNA) where: Base-Base interactions energy: -567.957 where: short stacking energy: -281.801 Base-Backbone interact. energy: -0.988 local terms energy: -313.785236 where: bonds (distance) C4'-P energy: -72.839 bonds (distance) P-C4' energy: -62.447 flat angles C4'-P-C4' energy: -82.889 flat angles P-C4'-P energy: -32.173 tors. eta vs tors. theta energy: -63.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -738.677434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.677434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.677434 (E_RNA) where: Base-Base interactions energy: -427.516 where: short stacking energy: -219.360 Base-Backbone interact. energy: 0.853 local terms energy: -312.014752 where: bonds (distance) C4'-P energy: -76.051 bonds (distance) P-C4' energy: -72.597 flat angles C4'-P-C4' energy: -71.682 flat angles P-C4'-P energy: -49.033 tors. eta vs tors. theta energy: -42.653 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: 8 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -523.906631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.906631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.906631 (E_RNA) where: Base-Base interactions energy: -293.380 where: short stacking energy: -149.474 Base-Backbone interact. energy: 4.975 local terms energy: -235.502286 where: bonds (distance) C4'-P energy: -67.431 bonds (distance) P-C4' energy: -56.685 flat angles C4'-P-C4' energy: -67.495 flat angles P-C4'-P energy: -44.439 tors. eta vs tors. theta energy: 0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -517.533447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.533447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.533447 (E_RNA) where: Base-Base interactions energy: -298.541 where: short stacking energy: -138.148 Base-Backbone interact. energy: 0.796 local terms energy: -219.788860 where: bonds (distance) C4'-P energy: -66.493 bonds (distance) P-C4' energy: -65.144 flat angles C4'-P-C4' energy: -45.904 flat angles P-C4'-P energy: -29.346 tors. eta vs tors. theta energy: -12.902 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: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -444.556752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.556752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.556752 (E_RNA) where: Base-Base interactions energy: -204.707 where: short stacking energy: -122.042 Base-Backbone interact. energy: 0.763 local terms energy: -240.613413 where: bonds (distance) C4'-P energy: -67.028 bonds (distance) P-C4' energy: -61.814 flat angles C4'-P-C4' energy: -55.921 flat angles P-C4'-P energy: -49.372 tors. eta vs tors. theta energy: -6.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1372.166259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.166259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.166259 (E_RNA) where: Base-Base interactions energy: -923.458 where: short stacking energy: -438.049 Base-Backbone interact. energy: -1.720 local terms energy: -446.988981 where: bonds (distance) C4'-P energy: -83.087 bonds (distance) P-C4' energy: -85.198 flat angles C4'-P-C4' energy: -88.492 flat angles P-C4'-P energy: -59.740 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: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1264.587943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.587943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.587943 (E_RNA) where: Base-Base interactions energy: -862.496 where: short stacking energy: -363.695 Base-Backbone interact. energy: -0.746 local terms energy: -401.345813 where: bonds (distance) C4'-P energy: -69.151 bonds (distance) P-C4' energy: -75.372 flat angles C4'-P-C4' energy: -85.099 flat angles P-C4'-P energy: -65.118 tors. eta vs tors. theta energy: -106.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1204.808492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.808492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.808492 (E_RNA) where: Base-Base interactions energy: -776.024 where: short stacking energy: -373.402 Base-Backbone interact. energy: -1.525 local terms energy: -427.259738 where: bonds (distance) C4'-P energy: -72.786 bonds (distance) P-C4' energy: -86.022 flat angles C4'-P-C4' energy: -93.286 flat angles P-C4'-P energy: -59.259 tors. eta vs tors. theta energy: -115.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1097.068573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.068573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.068573 (E_RNA) where: Base-Base interactions energy: -726.031 where: short stacking energy: -336.924 Base-Backbone interact. energy: -0.882 local terms energy: -370.156012 where: bonds (distance) C4'-P energy: -71.475 bonds (distance) P-C4' energy: -78.943 flat angles C4'-P-C4' energy: -85.808 flat angles P-C4'-P energy: -46.761 tors. eta vs tors. theta energy: -87.169 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: 1 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -934.954568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.954568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.954568 (E_RNA) where: Base-Base interactions energy: -590.452 where: short stacking energy: -287.340 Base-Backbone interact. energy: -1.236 local terms energy: -343.266434 where: bonds (distance) C4'-P energy: -73.516 bonds (distance) P-C4' energy: -78.680 flat angles C4'-P-C4' energy: -75.482 flat angles P-C4'-P energy: -55.491 tors. eta vs tors. theta energy: -60.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -863.601553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.601553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.601553 (E_RNA) where: Base-Base interactions energy: -514.996 where: short stacking energy: -253.085 Base-Backbone interact. energy: -1.747 local terms energy: -346.858752 where: bonds (distance) C4'-P energy: -73.646 bonds (distance) P-C4' energy: -82.784 flat angles C4'-P-C4' energy: -73.482 flat angles P-C4'-P energy: -55.358 tors. eta vs tors. theta energy: -61.589 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: 7, replica: 6 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -717.444784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.444784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.444784 (E_RNA) where: Base-Base interactions energy: -432.600 where: short stacking energy: -221.244 Base-Backbone interact. energy: 3.955 local terms energy: -288.799823 where: bonds (distance) C4'-P energy: -70.933 bonds (distance) P-C4' energy: -62.393 flat angles C4'-P-C4' energy: -61.549 flat angles P-C4'-P energy: -51.934 tors. eta vs tors. theta energy: -41.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -556.276709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.276709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.276709 (E_RNA) where: Base-Base interactions energy: -303.435 where: short stacking energy: -164.940 Base-Backbone interact. energy: -0.067 local terms energy: -252.775626 where: bonds (distance) C4'-P energy: -54.606 bonds (distance) P-C4' energy: -86.487 flat angles C4'-P-C4' energy: -64.647 flat angles P-C4'-P energy: -31.193 tors. eta vs tors. theta energy: -15.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -587.359528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.359528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.359528 (E_RNA) where: Base-Base interactions energy: -316.092 where: short stacking energy: -174.770 Base-Backbone interact. energy: -1.660 local terms energy: -269.607636 where: bonds (distance) C4'-P energy: -68.252 bonds (distance) P-C4' energy: -68.149 flat angles C4'-P-C4' energy: -54.328 flat angles P-C4'-P energy: -41.141 tors. eta vs tors. theta energy: -37.736 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: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -446.117340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.117340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.117340 (E_RNA) where: Base-Base interactions energy: -223.934 where: short stacking energy: -125.261 Base-Backbone interact. energy: 0.318 local terms energy: -222.501529 where: bonds (distance) C4'-P energy: -73.718 bonds (distance) P-C4' energy: -63.060 flat angles C4'-P-C4' energy: -33.126 flat angles P-C4'-P energy: -39.828 tors. eta vs tors. theta energy: -12.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1362.756295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.756295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.756295 (E_RNA) where: Base-Base interactions energy: -926.823 where: short stacking energy: -419.703 Base-Backbone interact. energy: 0.587 local terms energy: -436.520120 where: bonds (distance) C4'-P energy: -75.666 bonds (distance) P-C4' energy: -85.246 flat angles C4'-P-C4' energy: -90.845 flat angles P-C4'-P energy: -58.969 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: 2, replica: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1287.126561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.126561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.126561 (E_RNA) where: Base-Base interactions energy: -870.468 where: short stacking energy: -377.091 Base-Backbone interact. energy: -0.976 local terms energy: -415.683280 where: bonds (distance) C4'-P energy: -81.831 bonds (distance) P-C4' energy: -89.055 flat angles C4'-P-C4' energy: -83.174 flat angles P-C4'-P energy: -60.725 tors. eta vs tors. theta energy: -100.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1212.738743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.738743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.738743 (E_RNA) where: Base-Base interactions energy: -801.596 where: short stacking energy: -378.221 Base-Backbone interact. energy: -1.455 local terms energy: -409.687960 where: bonds (distance) C4'-P energy: -74.030 bonds (distance) P-C4' energy: -78.325 flat angles C4'-P-C4' energy: -81.322 flat angles P-C4'-P energy: -65.795 tors. eta vs tors. theta energy: -110.216 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: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1116.798192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.798192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.798192 (E_RNA) where: Base-Base interactions energy: -739.927 where: short stacking energy: -320.330 Base-Backbone interact. energy: -2.811 local terms energy: -374.060191 where: bonds (distance) C4'-P energy: -82.528 bonds (distance) P-C4' energy: -70.941 flat angles C4'-P-C4' energy: -80.072 flat angles P-C4'-P energy: -47.978 tors. eta vs tors. theta energy: -92.541 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: 1 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -898.978818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.978818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.978818 (E_RNA) where: Base-Base interactions energy: -557.117 where: short stacking energy: -288.402 Base-Backbone interact. energy: 1.232 local terms energy: -343.093696 where: bonds (distance) C4'-P energy: -69.095 bonds (distance) P-C4' energy: -74.556 flat angles C4'-P-C4' energy: -73.418 flat angles P-C4'-P energy: -42.846 tors. eta vs tors. theta energy: -83.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -855.165055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.165055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.165055 (E_RNA) where: Base-Base interactions energy: -535.918 where: short stacking energy: -264.024 Base-Backbone interact. energy: -1.440 local terms energy: -317.807072 where: bonds (distance) C4'-P energy: -71.049 bonds (distance) P-C4' energy: -65.115 flat angles C4'-P-C4' energy: -76.738 flat angles P-C4'-P energy: -49.297 tors. eta vs tors. theta energy: -55.608 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: 7, replica: 6 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -777.625059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.625059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.625059 (E_RNA) where: Base-Base interactions energy: -506.280 where: short stacking energy: -243.129 Base-Backbone interact. energy: 2.756 local terms energy: -274.101493 where: bonds (distance) C4'-P energy: -59.019 bonds (distance) P-C4' energy: -68.223 flat angles C4'-P-C4' energy: -59.822 flat angles P-C4'-P energy: -44.538 tors. eta vs tors. theta energy: -42.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -535.952619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.952619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.952619 (E_RNA) where: Base-Base interactions energy: -265.831 where: short stacking energy: -156.176 Base-Backbone interact. energy: -0.569 local terms energy: -269.552882 where: bonds (distance) C4'-P energy: -71.996 bonds (distance) P-C4' energy: -65.497 flat angles C4'-P-C4' energy: -68.517 flat angles P-C4'-P energy: -40.131 tors. eta vs tors. theta energy: -23.411 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: 3 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -560.533502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.533502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.533502 (E_RNA) where: Base-Base interactions energy: -296.841 where: short stacking energy: -165.332 Base-Backbone interact. energy: 3.944 local terms energy: -267.636154 where: bonds (distance) C4'-P energy: -57.827 bonds (distance) P-C4' energy: -81.864 flat angles C4'-P-C4' energy: -62.652 flat angles P-C4'-P energy: -34.068 tors. eta vs tors. theta energy: -31.225 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: 5 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -437.590950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.590950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.590950 (E_RNA) where: Base-Base interactions energy: -221.682 where: short stacking energy: -134.610 Base-Backbone interact. energy: -1.132 local terms energy: -214.777201 where: bonds (distance) C4'-P energy: -49.814 bonds (distance) P-C4' energy: -53.899 flat angles C4'-P-C4' energy: -74.431 flat angles P-C4'-P energy: -37.592 tors. eta vs tors. theta energy: 0.960 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: 10 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1358.127941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.127941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.127941 (E_RNA) where: Base-Base interactions energy: -929.077 where: short stacking energy: -416.765 Base-Backbone interact. energy: -1.183 local terms energy: -427.868428 where: bonds (distance) C4'-P energy: -75.759 bonds (distance) P-C4' energy: -80.183 flat angles C4'-P-C4' energy: -83.266 flat angles P-C4'-P energy: -65.016 tors. eta vs tors. theta energy: -123.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1274.399084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.399084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.399084 (E_RNA) where: Base-Base interactions energy: -890.331 where: short stacking energy: -371.376 Base-Backbone interact. energy: 1.745 local terms energy: -385.812836 where: bonds (distance) C4'-P energy: -77.689 bonds (distance) P-C4' energy: -62.131 flat angles C4'-P-C4' energy: -88.991 flat angles P-C4'-P energy: -60.337 tors. eta vs tors. theta energy: -96.664 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: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1190.809093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.809093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.809093 (E_RNA) where: Base-Base interactions energy: -800.100 where: short stacking energy: -367.625 Base-Backbone interact. energy: -1.720 local terms energy: -388.989914 where: bonds (distance) C4'-P energy: -74.433 bonds (distance) P-C4' energy: -73.265 flat angles C4'-P-C4' energy: -82.963 flat angles P-C4'-P energy: -54.640 tors. eta vs tors. theta energy: -103.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1122.816057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.816057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.816057 (E_RNA) where: Base-Base interactions energy: -759.555 where: short stacking energy: -333.221 Base-Backbone interact. energy: -2.697 local terms energy: -360.564031 where: bonds (distance) C4'-P energy: -70.101 bonds (distance) P-C4' energy: -55.386 flat angles C4'-P-C4' energy: -83.013 flat angles P-C4'-P energy: -54.476 tors. eta vs tors. theta energy: -97.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -910.700289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.700289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.700289 (E_RNA) where: Base-Base interactions energy: -572.249 where: short stacking energy: -278.606 Base-Backbone interact. energy: -0.404 local terms energy: -338.046543 where: bonds (distance) C4'-P energy: -75.534 bonds (distance) P-C4' energy: -77.453 flat angles C4'-P-C4' energy: -62.837 flat angles P-C4'-P energy: -55.246 tors. eta vs tors. theta energy: -66.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -890.630738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.630738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.630738 (E_RNA) where: Base-Base interactions energy: -566.288 where: short stacking energy: -280.289 Base-Backbone interact. energy: 2.195 local terms energy: -326.538314 where: bonds (distance) C4'-P energy: -79.020 bonds (distance) P-C4' energy: -70.522 flat angles C4'-P-C4' energy: -73.180 flat angles P-C4'-P energy: -37.259 tors. eta vs tors. theta energy: -66.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -778.569211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.569211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.569211 (E_RNA) where: Base-Base interactions energy: -478.947 where: short stacking energy: -231.150 Base-Backbone interact. energy: -1.069 local terms energy: -298.553088 where: bonds (distance) C4'-P energy: -49.286 bonds (distance) P-C4' energy: -72.564 flat angles C4'-P-C4' energy: -73.459 flat angles P-C4'-P energy: -53.550 tors. eta vs tors. theta energy: -49.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -597.708839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.708839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.708839 (E_RNA) where: Base-Base interactions energy: -309.554 where: short stacking energy: -154.090 Base-Backbone interact. energy: -1.542 local terms energy: -286.613227 where: bonds (distance) C4'-P energy: -70.039 bonds (distance) P-C4' energy: -74.362 flat angles C4'-P-C4' energy: -73.832 flat angles P-C4'-P energy: -47.975 tors. eta vs tors. theta energy: -20.405 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: 8 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -492.132567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.132567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.132567 (E_RNA) where: Base-Base interactions energy: -254.739 where: short stacking energy: -152.397 Base-Backbone interact. energy: 1.150 local terms energy: -238.543759 where: bonds (distance) C4'-P energy: -53.666 bonds (distance) P-C4' energy: -73.025 flat angles C4'-P-C4' energy: -65.644 flat angles P-C4'-P energy: -36.246 tors. eta vs tors. theta energy: -9.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -430.759762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.759762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.759762 (E_RNA) where: Base-Base interactions energy: -215.792 where: short stacking energy: -112.075 Base-Backbone interact. energy: -1.669 local terms energy: -213.298815 where: bonds (distance) C4'-P energy: -77.856 bonds (distance) P-C4' energy: -61.705 flat angles C4'-P-C4' energy: -55.559 flat angles P-C4'-P energy: -19.801 tors. eta vs tors. theta energy: 1.622 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: 7 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1317.265334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.265334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.265334 (E_RNA) where: Base-Base interactions energy: -895.842 where: short stacking energy: -381.977 Base-Backbone interact. energy: 1.694 local terms energy: -423.118246 where: bonds (distance) C4'-P energy: -78.691 bonds (distance) P-C4' energy: -84.570 flat angles C4'-P-C4' energy: -93.061 flat angles P-C4'-P energy: -60.582 tors. eta vs tors. theta energy: -106.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1316.430214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.430214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.430214 (E_RNA) where: Base-Base interactions energy: -898.891 where: short stacking energy: -395.413 Base-Backbone interact. energy: -1.047 local terms energy: -416.492401 where: bonds (distance) C4'-P energy: -70.307 bonds (distance) P-C4' energy: -77.460 flat angles C4'-P-C4' energy: -86.204 flat angles P-C4'-P energy: -63.871 tors. eta vs tors. theta energy: -118.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1213.390619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.390619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.390619 (E_RNA) where: Base-Base interactions energy: -795.389 where: short stacking energy: -366.463 Base-Backbone interact. energy: 2.511 local terms energy: -420.513205 where: bonds (distance) C4'-P energy: -74.345 bonds (distance) P-C4' energy: -87.581 flat angles C4'-P-C4' energy: -84.068 flat angles P-C4'-P energy: -60.265 tors. eta vs tors. theta energy: -114.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1122.282679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.282679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.282679 (E_RNA) where: Base-Base interactions energy: -738.498 where: short stacking energy: -316.020 Base-Backbone interact. energy: -1.630 local terms energy: -382.154996 where: bonds (distance) C4'-P energy: -74.780 bonds (distance) P-C4' energy: -75.367 flat angles C4'-P-C4' energy: -82.063 flat angles P-C4'-P energy: -63.519 tors. eta vs tors. theta energy: -86.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -906.047646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.047646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.047646 (E_RNA) where: Base-Base interactions energy: -563.363 where: short stacking energy: -287.456 Base-Backbone interact. energy: -1.729 local terms energy: -340.955777 where: bonds (distance) C4'-P energy: -72.441 bonds (distance) P-C4' energy: -80.049 flat angles C4'-P-C4' energy: -70.290 flat angles P-C4'-P energy: -46.773 tors. eta vs tors. theta energy: -71.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -927.633531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.633531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.633531 (E_RNA) where: Base-Base interactions energy: -568.207 where: short stacking energy: -286.030 Base-Backbone interact. energy: -0.534 local terms energy: -358.892051 where: bonds (distance) C4'-P energy: -75.955 bonds (distance) P-C4' energy: -87.090 flat angles C4'-P-C4' energy: -60.614 flat angles P-C4'-P energy: -55.060 tors. eta vs tors. theta energy: -80.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -737.582681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.582681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.582681 (E_RNA) where: Base-Base interactions energy: -457.585 where: short stacking energy: -207.698 Base-Backbone interact. energy: -0.273 local terms energy: -279.725278 where: bonds (distance) C4'-P energy: -70.481 bonds (distance) P-C4' energy: -55.497 flat angles C4'-P-C4' energy: -70.279 flat angles P-C4'-P energy: -52.606 tors. eta vs tors. theta energy: -30.862 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: 3 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -583.409215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.409215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.409215 (E_RNA) where: Base-Base interactions energy: -309.309 where: short stacking energy: -158.600 Base-Backbone interact. energy: -1.955 local terms energy: -272.144861 where: bonds (distance) C4'-P energy: -64.791 bonds (distance) P-C4' energy: -58.853 flat angles C4'-P-C4' energy: -70.944 flat angles P-C4'-P energy: -54.460 tors. eta vs tors. theta energy: -23.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -471.776587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.776587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.776587 (E_RNA) where: Base-Base interactions energy: -241.238 where: short stacking energy: -134.220 Base-Backbone interact. energy: 1.964 local terms energy: -232.503094 where: bonds (distance) C4'-P energy: -73.243 bonds (distance) P-C4' energy: -63.455 flat angles C4'-P-C4' energy: -60.393 flat angles P-C4'-P energy: -26.679 tors. eta vs tors. theta energy: -8.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -452.037718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.037718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.037718 (E_RNA) where: Base-Base interactions energy: -219.224 where: short stacking energy: -136.145 Base-Backbone interact. energy: 2.846 local terms energy: -235.659585 where: bonds (distance) C4'-P energy: -58.378 bonds (distance) P-C4' energy: -58.142 flat angles C4'-P-C4' energy: -67.641 flat angles P-C4'-P energy: -50.586 tors. eta vs tors. theta energy: -0.913 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: 1, replica: 7 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1283.961482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.961482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.961482 (E_RNA) where: Base-Base interactions energy: -891.005 where: short stacking energy: -368.113 Base-Backbone interact. energy: 0.192 local terms energy: -393.148468 where: bonds (distance) C4'-P energy: -81.540 bonds (distance) P-C4' energy: -70.674 flat angles C4'-P-C4' energy: -81.951 flat angles P-C4'-P energy: -62.261 tors. eta vs tors. theta energy: -96.723 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: 10 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1322.709361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.709361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.709361 (E_RNA) where: Base-Base interactions energy: -887.777 where: short stacking energy: -424.536 Base-Backbone interact. energy: -1.521 local terms energy: -433.412075 where: bonds (distance) C4'-P energy: -75.981 bonds (distance) P-C4' energy: -79.372 flat angles C4'-P-C4' energy: -92.335 flat angles P-C4'-P energy: -55.447 tors. eta vs tors. theta energy: -130.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1200.583716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.583716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.583716 (E_RNA) where: Base-Base interactions energy: -790.727 where: short stacking energy: -359.372 Base-Backbone interact. energy: -1.652 local terms energy: -408.204849 where: bonds (distance) C4'-P energy: -74.605 bonds (distance) P-C4' energy: -78.559 flat angles C4'-P-C4' energy: -89.697 flat angles P-C4'-P energy: -61.627 tors. eta vs tors. theta energy: -103.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1147.777061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.777061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.777061 (E_RNA) where: Base-Base interactions energy: -751.208 where: short stacking energy: -322.266 Base-Backbone interact. energy: -1.078 local terms energy: -395.491016 where: bonds (distance) C4'-P energy: -79.483 bonds (distance) P-C4' energy: -86.996 flat angles C4'-P-C4' energy: -80.634 flat angles P-C4'-P energy: -62.391 tors. eta vs tors. theta energy: -85.987 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: 279 Temperature: 1.100000 Total energy: -912.073942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.073942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.073942 (E_RNA) where: Base-Base interactions energy: -548.533 where: short stacking energy: -267.943 Base-Backbone interact. energy: -1.555 local terms energy: -361.986131 where: bonds (distance) C4'-P energy: -72.951 bonds (distance) P-C4' energy: -80.919 flat angles C4'-P-C4' energy: -81.413 flat angles P-C4'-P energy: -65.268 tors. eta vs tors. theta energy: -61.435 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: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -943.376738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.376738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.376738 (E_RNA) where: Base-Base interactions energy: -591.257 where: short stacking energy: -278.848 Base-Backbone interact. energy: 0.064 local terms energy: -352.184231 where: bonds (distance) C4'-P energy: -73.975 bonds (distance) P-C4' energy: -64.655 flat angles C4'-P-C4' energy: -86.608 flat angles P-C4'-P energy: -43.858 tors. eta vs tors. theta energy: -83.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -755.157200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.157200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.157200 (E_RNA) where: Base-Base interactions energy: -443.892 where: short stacking energy: -222.597 Base-Backbone interact. energy: -1.725 local terms energy: -309.539810 where: bonds (distance) C4'-P energy: -68.281 bonds (distance) P-C4' energy: -68.658 flat angles C4'-P-C4' energy: -84.414 flat angles P-C4'-P energy: -38.905 tors. eta vs tors. theta energy: -49.281 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: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -673.065940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.065940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.065940 (E_RNA) where: Base-Base interactions energy: -396.019 where: short stacking energy: -207.543 Base-Backbone interact. energy: -0.209 local terms energy: -276.837690 where: bonds (distance) C4'-P energy: -71.000 bonds (distance) P-C4' energy: -65.446 flat angles C4'-P-C4' energy: -68.370 flat angles P-C4'-P energy: -32.788 tors. eta vs tors. theta energy: -39.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -545.231080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.231080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.231080 (E_RNA) where: Base-Base interactions energy: -276.212 where: short stacking energy: -143.025 Base-Backbone interact. energy: -1.278 local terms energy: -267.740260 where: bonds (distance) C4'-P energy: -68.632 bonds (distance) P-C4' energy: -74.283 flat angles C4'-P-C4' energy: -73.817 flat angles P-C4'-P energy: -31.991 tors. eta vs tors. theta energy: -19.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -482.655258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.655258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.655258 (E_RNA) where: Base-Base interactions energy: -236.528 where: short stacking energy: -151.721 Base-Backbone interact. energy: -0.847 local terms energy: -245.280579 where: bonds (distance) C4'-P energy: -62.499 bonds (distance) P-C4' energy: -62.394 flat angles C4'-P-C4' energy: -58.695 flat angles P-C4'-P energy: -42.761 tors. eta vs tors. theta energy: -18.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1340.572469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.572469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.572469 (E_RNA) where: Base-Base interactions energy: -889.107 where: short stacking energy: -417.182 Base-Backbone interact. energy: -1.013 local terms energy: -450.452645 where: bonds (distance) C4'-P energy: -88.960 bonds (distance) P-C4' energy: -82.769 flat angles C4'-P-C4' energy: -87.826 flat angles P-C4'-P energy: -69.745 tors. eta vs tors. theta energy: -121.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1281.681605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.681605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.681605 (E_RNA) where: Base-Base interactions energy: -880.473 where: short stacking energy: -363.792 Base-Backbone interact. energy: -2.892 local terms energy: -398.317394 where: bonds (distance) C4'-P energy: -78.451 bonds (distance) P-C4' energy: -87.269 flat angles C4'-P-C4' energy: -82.002 flat angles P-C4'-P energy: -42.957 tors. eta vs tors. theta energy: -107.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1198.388725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.388725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.388725 (E_RNA) where: Base-Base interactions energy: -766.210 where: short stacking energy: -351.127 Base-Backbone interact. energy: -1.795 local terms energy: -430.383938 where: bonds (distance) C4'-P energy: -84.155 bonds (distance) P-C4' energy: -80.994 flat angles C4'-P-C4' energy: -91.706 flat angles P-C4'-P energy: -60.974 tors. eta vs tors. theta energy: -112.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1143.620744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.620744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.620744 (E_RNA) where: Base-Base interactions energy: -790.559 where: short stacking energy: -337.765 Base-Backbone interact. energy: 0.164 local terms energy: -353.225860 where: bonds (distance) C4'-P energy: -81.369 bonds (distance) P-C4' energy: -70.740 flat angles C4'-P-C4' energy: -67.809 flat angles P-C4'-P energy: -47.371 tors. eta vs tors. theta energy: -85.936 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: 4 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -987.411890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.411890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.411890 (E_RNA) where: Base-Base interactions energy: -625.205 where: short stacking energy: -304.542 Base-Backbone interact. energy: -0.897 local terms energy: -361.309138 where: bonds (distance) C4'-P energy: -80.166 bonds (distance) P-C4' energy: -67.739 flat angles C4'-P-C4' energy: -75.090 flat angles P-C4'-P energy: -57.606 tors. eta vs tors. theta energy: -80.708 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: 1 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -894.160780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.160780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.160780 (E_RNA) where: Base-Base interactions energy: -555.451 where: short stacking energy: -285.321 Base-Backbone interact. energy: -1.010 local terms energy: -337.699763 where: bonds (distance) C4'-P energy: -66.575 bonds (distance) P-C4' energy: -67.043 flat angles C4'-P-C4' energy: -81.170 flat angles P-C4'-P energy: -36.816 tors. eta vs tors. theta energy: -86.096 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: 5 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -682.203440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.203440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.203440 (E_RNA) where: Base-Base interactions energy: -388.272 where: short stacking energy: -183.603 Base-Backbone interact. energy: -2.593 local terms energy: -291.338382 where: bonds (distance) C4'-P energy: -64.124 bonds (distance) P-C4' energy: -64.411 flat angles C4'-P-C4' energy: -75.242 flat angles P-C4'-P energy: -52.998 tors. eta vs tors. theta energy: -34.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -748.007829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.007829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.007829 (E_RNA) where: Base-Base interactions energy: -456.375 where: short stacking energy: -245.244 Base-Backbone interact. energy: 7.065 local terms energy: -298.697805 where: bonds (distance) C4'-P energy: -61.672 bonds (distance) P-C4' energy: -72.488 flat angles C4'-P-C4' energy: -61.805 flat angles P-C4'-P energy: -45.613 tors. eta vs tors. theta energy: -57.120 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: 9, replica: 3 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -556.934132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.934132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.934132 (E_RNA) where: Base-Base interactions energy: -304.721 where: short stacking energy: -148.732 Base-Backbone interact. energy: 1.062 local terms energy: -253.274687 where: bonds (distance) C4'-P energy: -63.960 bonds (distance) P-C4' energy: -64.497 flat angles C4'-P-C4' energy: -65.199 flat angles P-C4'-P energy: -38.168 tors. eta vs tors. theta energy: -21.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -470.642548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.642548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.642548 (E_RNA) where: Base-Base interactions energy: -238.536 where: short stacking energy: -145.878 Base-Backbone interact. energy: -0.082 local terms energy: -232.024002 where: bonds (distance) C4'-P energy: -69.373 bonds (distance) P-C4' energy: -51.364 flat angles C4'-P-C4' energy: -62.013 flat angles P-C4'-P energy: -42.252 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1353.673951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.673951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.673951 (E_RNA) where: Base-Base interactions energy: -898.368 where: short stacking energy: -419.576 Base-Backbone interact. energy: -0.941 local terms energy: -454.364818 where: bonds (distance) C4'-P energy: -85.237 bonds (distance) P-C4' energy: -83.532 flat angles C4'-P-C4' energy: -90.193 flat angles P-C4'-P energy: -70.862 tors. eta vs tors. theta energy: -124.540 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: 7 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1292.896313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.896313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.896313 (E_RNA) where: Base-Base interactions energy: -883.004 where: short stacking energy: -368.522 Base-Backbone interact. energy: -2.519 local terms energy: -407.372750 where: bonds (distance) C4'-P energy: -73.747 bonds (distance) P-C4' energy: -82.965 flat angles C4'-P-C4' energy: -89.368 flat angles P-C4'-P energy: -47.591 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: 3, replica: 9 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1219.311388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.311388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.311388 (E_RNA) where: Base-Base interactions energy: -822.182 where: short stacking energy: -372.611 Base-Backbone interact. energy: -0.081 local terms energy: -397.048620 where: bonds (distance) C4'-P energy: -70.167 bonds (distance) P-C4' energy: -80.527 flat angles C4'-P-C4' energy: -85.132 flat angles P-C4'-P energy: -52.973 tors. eta vs tors. theta energy: -108.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1124.239470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.239470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.239470 (E_RNA) where: Base-Base interactions energy: -747.701 where: short stacking energy: -326.677 Base-Backbone interact. energy: -3.428 local terms energy: -373.110496 where: bonds (distance) C4'-P energy: -75.665 bonds (distance) P-C4' energy: -70.500 flat angles C4'-P-C4' energy: -77.584 flat angles P-C4'-P energy: -60.705 tors. eta vs tors. theta energy: -88.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -990.685104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.685104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.685104 (E_RNA) where: Base-Base interactions energy: -641.886 where: short stacking energy: -299.992 Base-Backbone interact. energy: -0.599 local terms energy: -348.199315 where: bonds (distance) C4'-P energy: -72.361 bonds (distance) P-C4' energy: -66.765 flat angles C4'-P-C4' energy: -78.101 flat angles P-C4'-P energy: -50.132 tors. eta vs tors. theta energy: -80.840 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: 1 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -850.436632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.436632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.436632 (E_RNA) where: Base-Base interactions energy: -536.632 where: short stacking energy: -245.405 Base-Backbone interact. energy: -0.700 local terms energy: -313.104595 where: bonds (distance) C4'-P energy: -67.081 bonds (distance) P-C4' energy: -74.933 flat angles C4'-P-C4' energy: -67.561 flat angles P-C4'-P energy: -42.305 tors. eta vs tors. theta energy: -61.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -674.696679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.696679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.696679 (E_RNA) where: Base-Base interactions energy: -393.369 where: short stacking energy: -187.239 Base-Backbone interact. energy: 2.021 local terms energy: -283.348687 where: bonds (distance) C4'-P energy: -54.809 bonds (distance) P-C4' energy: -72.447 flat angles C4'-P-C4' energy: -73.395 flat angles P-C4'-P energy: -47.356 tors. eta vs tors. theta energy: -35.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -712.109905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.109905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.109905 (E_RNA) where: Base-Base interactions energy: -454.579 where: short stacking energy: -201.706 Base-Backbone interact. energy: -0.931 local terms energy: -256.600359 where: bonds (distance) C4'-P energy: -64.720 bonds (distance) P-C4' energy: -71.000 flat angles C4'-P-C4' energy: -54.574 flat angles P-C4'-P energy: -30.385 tors. eta vs tors. theta energy: -35.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -532.627975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.627975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.627975 (E_RNA) where: Base-Base interactions energy: -273.359 where: short stacking energy: -150.679 Base-Backbone interact. energy: -0.712 local terms energy: -258.557336 where: bonds (distance) C4'-P energy: -66.220 bonds (distance) P-C4' energy: -58.026 flat angles C4'-P-C4' energy: -64.501 flat angles P-C4'-P energy: -47.027 tors. eta vs tors. theta energy: -22.782 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: 10, replica: 8 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -463.395640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.395640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.395640 (E_RNA) where: Base-Base interactions energy: -246.582 where: short stacking energy: -162.553 Base-Backbone interact. energy: 1.496 local terms energy: -218.309162 where: bonds (distance) C4'-P energy: -65.503 bonds (distance) P-C4' energy: -62.985 flat angles C4'-P-C4' energy: -48.756 flat angles P-C4'-P energy: -42.494 tors. eta vs tors. theta energy: 1.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1372.765705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.765705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.765705 (E_RNA) where: Base-Base interactions energy: -943.158 where: short stacking energy: -420.285 Base-Backbone interact. energy: -1.706 local terms energy: -427.901519 where: bonds (distance) C4'-P energy: -76.944 bonds (distance) P-C4' energy: -81.474 flat angles C4'-P-C4' energy: -87.007 flat angles P-C4'-P energy: -64.899 tors. eta vs tors. theta energy: -117.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1297.924044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.924044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.924044 (E_RNA) where: Base-Base interactions energy: -886.458 where: short stacking energy: -374.246 Base-Backbone interact. energy: -2.616 local terms energy: -408.850312 where: bonds (distance) C4'-P energy: -76.199 bonds (distance) P-C4' energy: -81.857 flat angles C4'-P-C4' energy: -85.997 flat angles P-C4'-P energy: -59.387 tors. eta vs tors. theta energy: -105.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1224.316219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.316219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.316219 (E_RNA) where: Base-Base interactions energy: -809.830 where: short stacking energy: -355.821 Base-Backbone interact. energy: -1.261 local terms energy: -413.224893 where: bonds (distance) C4'-P energy: -76.568 bonds (distance) P-C4' energy: -78.765 flat angles C4'-P-C4' energy: -88.591 flat angles P-C4'-P energy: -65.188 tors. eta vs tors. theta energy: -104.113 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: 4, replica: 2 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1103.351663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.351663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.351663 (E_RNA) where: Base-Base interactions energy: -740.064 where: short stacking energy: -331.099 Base-Backbone interact. energy: 1.945 local terms energy: -365.232335 where: bonds (distance) C4'-P energy: -75.883 bonds (distance) P-C4' energy: -74.269 flat angles C4'-P-C4' energy: -77.955 flat angles P-C4'-P energy: -47.553 tors. eta vs tors. theta energy: -89.572 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: 5, replica: 4 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -967.519632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.519632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.519632 (E_RNA) where: Base-Base interactions energy: -603.584 where: short stacking energy: -287.375 Base-Backbone interact. energy: -0.691 local terms energy: -363.245236 where: bonds (distance) C4'-P energy: -66.290 bonds (distance) P-C4' energy: -77.624 flat angles C4'-P-C4' energy: -81.995 flat angles P-C4'-P energy: -52.236 tors. eta vs tors. theta energy: -85.101 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: 282 Temperature: 1.150000 Total energy: -866.877635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.877635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.877635 (E_RNA) where: Base-Base interactions energy: -554.463 where: short stacking energy: -268.141 Base-Backbone interact. energy: -0.216 local terms energy: -312.198616 where: bonds (distance) C4'-P energy: -67.089 bonds (distance) P-C4' energy: -73.080 flat angles C4'-P-C4' energy: -76.634 flat angles P-C4'-P energy: -45.921 tors. eta vs tors. theta energy: -49.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -788.485718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.485718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.485718 (E_RNA) where: Base-Base interactions energy: -497.104 where: short stacking energy: -228.237 Base-Backbone interact. energy: -2.209 local terms energy: -289.172785 where: bonds (distance) C4'-P energy: -60.758 bonds (distance) P-C4' energy: -70.877 flat angles C4'-P-C4' energy: -63.821 flat angles P-C4'-P energy: -45.321 tors. eta vs tors. theta energy: -48.396 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: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -616.613983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.613983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.613983 (E_RNA) where: Base-Base interactions energy: -342.540 where: short stacking energy: -181.588 Base-Backbone interact. energy: 1.077 local terms energy: -275.150048 where: bonds (distance) C4'-P energy: -82.059 bonds (distance) P-C4' energy: -61.718 flat angles C4'-P-C4' energy: -64.628 flat angles P-C4'-P energy: -44.404 tors. eta vs tors. theta energy: -22.342 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: 8 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -498.491306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.491306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.491306 (E_RNA) where: Base-Base interactions energy: -236.385 where: short stacking energy: -145.261 Base-Backbone interact. energy: -2.595 local terms energy: -259.510806 where: bonds (distance) C4'-P energy: -56.911 bonds (distance) P-C4' energy: -75.080 flat angles C4'-P-C4' energy: -60.993 flat angles P-C4'-P energy: -48.229 tors. eta vs tors. theta energy: -18.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -481.407600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.407600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.407600 (E_RNA) where: Base-Base interactions energy: -249.709 where: short stacking energy: -139.469 Base-Backbone interact. energy: 0.115 local terms energy: -231.813420 where: bonds (distance) C4'-P energy: -64.810 bonds (distance) P-C4' energy: -61.045 flat angles C4'-P-C4' energy: -52.990 flat angles P-C4'-P energy: -43.843 tors. eta vs tors. theta energy: -9.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1368.171081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.171081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.171081 (E_RNA) where: Base-Base interactions energy: -915.834 where: short stacking energy: -433.377 Base-Backbone interact. energy: -0.941 local terms energy: -451.395301 where: bonds (distance) C4'-P energy: -93.770 bonds (distance) P-C4' energy: -82.737 flat angles C4'-P-C4' energy: -89.075 flat angles P-C4'-P energy: -58.921 tors. eta vs tors. theta energy: -126.892 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: 283 Temperature: 0.950000 Total energy: -1223.814629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.814629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.814629 (E_RNA) where: Base-Base interactions energy: -820.259 where: short stacking energy: -376.613 Base-Backbone interact. energy: -2.605 local terms energy: -400.951035 where: bonds (distance) C4'-P energy: -62.613 bonds (distance) P-C4' energy: -75.194 flat angles C4'-P-C4' energy: -92.514 flat angles P-C4'-P energy: -60.160 tors. eta vs tors. theta energy: -110.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1232.372886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.372886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.372886 (E_RNA) where: Base-Base interactions energy: -829.419 where: short stacking energy: -347.986 Base-Backbone interact. energy: -2.478 local terms energy: -400.475917 where: bonds (distance) C4'-P energy: -80.307 bonds (distance) P-C4' energy: -74.423 flat angles C4'-P-C4' energy: -87.027 flat angles P-C4'-P energy: -52.414 tors. eta vs tors. theta energy: -106.304 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: 2 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1088.352061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.352061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.352061 (E_RNA) where: Base-Base interactions energy: -712.029 where: short stacking energy: -327.226 Base-Backbone interact. energy: 1.164 local terms energy: -377.487024 where: bonds (distance) C4'-P energy: -70.247 bonds (distance) P-C4' energy: -75.229 flat angles C4'-P-C4' energy: -87.425 flat angles P-C4'-P energy: -61.844 tors. eta vs tors. theta energy: -82.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -992.974640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.974640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.974640 (E_RNA) where: Base-Base interactions energy: -615.713 where: short stacking energy: -301.966 Base-Backbone interact. energy: 1.135 local terms energy: -378.396988 where: bonds (distance) C4'-P energy: -69.285 bonds (distance) P-C4' energy: -72.440 flat angles C4'-P-C4' energy: -84.456 flat angles P-C4'-P energy: -67.289 tors. eta vs tors. theta energy: -84.927 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: 6, replica: 1 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -878.682591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.682591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.682591 (E_RNA) where: Base-Base interactions energy: -550.360 where: short stacking energy: -273.254 Base-Backbone interact. energy: -2.205 local terms energy: -326.118409 where: bonds (distance) C4'-P energy: -63.367 bonds (distance) P-C4' energy: -71.893 flat angles C4'-P-C4' energy: -77.362 flat angles P-C4'-P energy: -46.456 tors. eta vs tors. theta energy: -67.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -771.517709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.517709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.517709 (E_RNA) where: Base-Base interactions energy: -451.142 where: short stacking energy: -230.172 Base-Backbone interact. energy: -0.294 local terms energy: -320.081561 where: bonds (distance) C4'-P energy: -62.782 bonds (distance) P-C4' energy: -85.660 flat angles C4'-P-C4' energy: -77.899 flat angles P-C4'-P energy: -50.516 tors. eta vs tors. theta energy: -43.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -598.945622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.945622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.945622 (E_RNA) where: Base-Base interactions energy: -356.951 where: short stacking energy: -189.059 Base-Backbone interact. energy: -1.203 local terms energy: -240.791769 where: bonds (distance) C4'-P energy: -57.198 bonds (distance) P-C4' energy: -66.800 flat angles C4'-P-C4' energy: -64.525 flat angles P-C4'-P energy: -26.170 tors. eta vs tors. theta energy: -26.098 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: 283 Temperature: 1.300000 Total energy: -488.219072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.219072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.219072 (E_RNA) where: Base-Base interactions energy: -249.901 where: short stacking energy: -133.018 Base-Backbone interact. energy: -0.551 local terms energy: -237.767486 where: bonds (distance) C4'-P energy: -54.743 bonds (distance) P-C4' energy: -59.833 flat angles C4'-P-C4' energy: -65.703 flat angles P-C4'-P energy: -47.448 tors. eta vs tors. theta energy: -10.041 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: 3 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -500.832456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.832456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.832456 (E_RNA) where: Base-Base interactions energy: -259.406 where: short stacking energy: -150.011 Base-Backbone interact. energy: 2.031 local terms energy: -243.457516 where: bonds (distance) C4'-P energy: -68.915 bonds (distance) P-C4' energy: -69.325 flat angles C4'-P-C4' energy: -68.144 flat angles P-C4'-P energy: -23.163 tors. eta vs tors. theta energy: -13.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1367.347015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.347015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.347015 (E_RNA) where: Base-Base interactions energy: -912.206 where: short stacking energy: -415.278 Base-Backbone interact. energy: 0.461 local terms energy: -455.601593 where: bonds (distance) C4'-P energy: -77.047 bonds (distance) P-C4' energy: -90.907 flat angles C4'-P-C4' energy: -91.329 flat angles P-C4'-P energy: -70.784 tors. eta vs tors. theta energy: -125.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1241.617161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.617161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.617161 (E_RNA) where: Base-Base interactions energy: -830.626 where: short stacking energy: -377.160 Base-Backbone interact. energy: -1.557 local terms energy: -409.433649 where: bonds (distance) C4'-P energy: -73.387 bonds (distance) P-C4' energy: -73.356 flat angles C4'-P-C4' energy: -86.151 flat angles P-C4'-P energy: -63.071 tors. eta vs tors. theta energy: -113.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1218.068332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.068332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.068332 (E_RNA) where: Base-Base interactions energy: -811.654 where: short stacking energy: -330.088 Base-Backbone interact. energy: 0.982 local terms energy: -407.395977 where: bonds (distance) C4'-P energy: -79.034 bonds (distance) P-C4' energy: -80.633 flat angles C4'-P-C4' energy: -87.588 flat angles P-C4'-P energy: -62.289 tors. eta vs tors. theta energy: -97.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1061.217034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.217034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.217034 (E_RNA) where: Base-Base interactions energy: -676.390 where: short stacking energy: -298.008 Base-Backbone interact. energy: -0.197 local terms energy: -384.630459 where: bonds (distance) C4'-P energy: -65.402 bonds (distance) P-C4' energy: -84.450 flat angles C4'-P-C4' energy: -88.019 flat angles P-C4'-P energy: -58.818 tors. eta vs tors. theta energy: -87.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -926.949317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.949317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.949317 (E_RNA) where: Base-Base interactions energy: -607.259 where: short stacking energy: -296.969 Base-Backbone interact. energy: 1.048 local terms energy: -320.738146 where: bonds (distance) C4'-P energy: -62.400 bonds (distance) P-C4' energy: -69.800 flat angles C4'-P-C4' energy: -75.582 flat angles P-C4'-P energy: -36.115 tors. eta vs tors. theta energy: -76.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -901.531009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.531009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.531009 (E_RNA) where: Base-Base interactions energy: -567.541 where: short stacking energy: -276.095 Base-Backbone interact. energy: 1.171 local terms energy: -335.160482 where: bonds (distance) C4'-P energy: -68.993 bonds (distance) P-C4' energy: -76.440 flat angles C4'-P-C4' energy: -79.934 flat angles P-C4'-P energy: -35.321 tors. eta vs tors. theta energy: -74.471 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: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -741.622842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.622842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.622842 (E_RNA) where: Base-Base interactions energy: -427.577 where: short stacking energy: -226.675 Base-Backbone interact. energy: -2.152 local terms energy: -311.893989 where: bonds (distance) C4'-P energy: -63.390 bonds (distance) P-C4' energy: -76.504 flat angles C4'-P-C4' energy: -68.115 flat angles P-C4'-P energy: -60.148 tors. eta vs tors. theta energy: -43.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -633.479576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.479576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.479576 (E_RNA) where: Base-Base interactions energy: -364.601 where: short stacking energy: -202.047 Base-Backbone interact. energy: 0.385 local terms energy: -269.263612 where: bonds (distance) C4'-P energy: -68.145 bonds (distance) P-C4' energy: -66.336 flat angles C4'-P-C4' energy: -46.264 flat angles P-C4'-P energy: -51.628 tors. eta vs tors. theta energy: -36.890 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: 3 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -526.745364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.745364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.745364 (E_RNA) where: Base-Base interactions energy: -299.361 where: short stacking energy: -163.653 Base-Backbone interact. energy: 1.508 local terms energy: -228.892225 where: bonds (distance) C4'-P energy: -55.327 bonds (distance) P-C4' energy: -62.308 flat angles C4'-P-C4' energy: -50.744 flat angles P-C4'-P energy: -41.312 tors. eta vs tors. theta energy: -19.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -441.297466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.297466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.297466 (E_RNA) where: Base-Base interactions energy: -220.518 where: short stacking energy: -141.735 Base-Backbone interact. energy: -0.756 local terms energy: -220.023414 where: bonds (distance) C4'-P energy: -59.412 bonds (distance) P-C4' energy: -63.602 flat angles C4'-P-C4' energy: -59.035 flat angles P-C4'-P energy: -33.863 tors. eta vs tors. theta energy: -4.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1391.280566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.280566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.280566 (E_RNA) where: Base-Base interactions energy: -941.299 where: short stacking energy: -440.761 Base-Backbone interact. energy: -2.549 local terms energy: -447.433295 where: bonds (distance) C4'-P energy: -69.035 bonds (distance) P-C4' energy: -81.736 flat angles C4'-P-C4' energy: -96.196 flat angles P-C4'-P energy: -70.298 tors. eta vs tors. theta energy: -130.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1261.811005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.811005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.811005 (E_RNA) where: Base-Base interactions energy: -867.383 where: short stacking energy: -366.547 Base-Backbone interact. energy: -0.453 local terms energy: -393.974570 where: bonds (distance) C4'-P energy: -72.065 bonds (distance) P-C4' energy: -73.181 flat angles C4'-P-C4' energy: -86.471 flat angles P-C4'-P energy: -59.322 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: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1177.899450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.899450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.899450 (E_RNA) where: Base-Base interactions energy: -794.919 where: short stacking energy: -356.477 Base-Backbone interact. energy: -1.875 local terms energy: -381.105579 where: bonds (distance) C4'-P energy: -79.036 bonds (distance) P-C4' energy: -66.878 flat angles C4'-P-C4' energy: -89.384 flat angles P-C4'-P energy: -48.278 tors. eta vs tors. theta energy: -97.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1113.888846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.888846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.888846 (E_RNA) where: Base-Base interactions energy: -750.343 where: short stacking energy: -333.760 Base-Backbone interact. energy: -0.150 local terms energy: -363.395353 where: bonds (distance) C4'-P energy: -62.179 bonds (distance) P-C4' energy: -73.704 flat angles C4'-P-C4' energy: -81.054 flat angles P-C4'-P energy: -54.108 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: 5, replica: 4 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -944.598112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.598112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.598112 (E_RNA) where: Base-Base interactions energy: -597.547 where: short stacking energy: -309.378 Base-Backbone interact. energy: -0.272 local terms energy: -346.779805 where: bonds (distance) C4'-P energy: -73.348 bonds (distance) P-C4' energy: -60.510 flat angles C4'-P-C4' energy: -77.862 flat angles P-C4'-P energy: -48.231 tors. eta vs tors. theta energy: -86.829 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: 285 Temperature: 1.150000 Total energy: -883.597990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.597990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.597990 (E_RNA) where: Base-Base interactions energy: -548.740 where: short stacking energy: -259.109 Base-Backbone interact. energy: -1.585 local terms energy: -333.272969 where: bonds (distance) C4'-P energy: -68.206 bonds (distance) P-C4' energy: -77.582 flat angles C4'-P-C4' energy: -68.165 flat angles P-C4'-P energy: -51.159 tors. eta vs tors. theta energy: -68.161 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: 7, replica: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -731.949456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.949456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.949456 (E_RNA) where: Base-Base interactions energy: -435.577 where: short stacking energy: -236.840 Base-Backbone interact. energy: 0.228 local terms energy: -296.600660 where: bonds (distance) C4'-P energy: -60.066 bonds (distance) P-C4' energy: -67.988 flat angles C4'-P-C4' energy: -59.954 flat angles P-C4'-P energy: -61.850 tors. eta vs tors. theta energy: -46.743 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: 8, replica: 5 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -608.854947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.854947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.854947 (E_RNA) where: Base-Base interactions energy: -333.727 where: short stacking energy: -159.904 Base-Backbone interact. energy: -0.051 local terms energy: -275.076423 where: bonds (distance) C4'-P energy: -64.173 bonds (distance) P-C4' energy: -82.509 flat angles C4'-P-C4' energy: -57.821 flat angles P-C4'-P energy: -44.322 tors. eta vs tors. theta energy: -26.252 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: 9, replica: 3 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -521.006207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.006207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.006207 (E_RNA) where: Base-Base interactions energy: -285.372 where: short stacking energy: -140.168 Base-Backbone interact. energy: 0.131 local terms energy: -235.765920 where: bonds (distance) C4'-P energy: -54.685 bonds (distance) P-C4' energy: -77.348 flat angles C4'-P-C4' energy: -59.928 flat angles P-C4'-P energy: -33.934 tors. eta vs tors. theta energy: -9.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -414.635751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.635751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.635751 (E_RNA) where: Base-Base interactions energy: -177.943 where: short stacking energy: -91.122 Base-Backbone interact. energy: 0.578 local terms energy: -237.270596 where: bonds (distance) C4'-P energy: -64.408 bonds (distance) P-C4' energy: -66.411 flat angles C4'-P-C4' energy: -64.760 flat angles P-C4'-P energy: -45.805 tors. eta vs tors. theta energy: 4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1365.093901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.093901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.093901 (E_RNA) where: Base-Base interactions energy: -933.453 where: short stacking energy: -433.391 Base-Backbone interact. energy: -1.400 local terms energy: -430.241424 where: bonds (distance) C4'-P energy: -71.636 bonds (distance) P-C4' energy: -85.884 flat angles C4'-P-C4' energy: -86.485 flat angles P-C4'-P energy: -62.332 tors. eta vs tors. theta energy: -123.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1274.202730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.202730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.202730 (E_RNA) where: Base-Base interactions energy: -867.124 where: short stacking energy: -365.336 Base-Backbone interact. energy: -2.330 local terms energy: -404.748199 where: bonds (distance) C4'-P energy: -70.621 bonds (distance) P-C4' energy: -78.680 flat angles C4'-P-C4' energy: -96.170 flat angles P-C4'-P energy: -48.381 tors. eta vs tors. theta energy: -110.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1233.091277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.091277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.091277 (E_RNA) where: Base-Base interactions energy: -827.389 where: short stacking energy: -373.496 Base-Backbone interact. energy: -0.658 local terms energy: -405.044412 where: bonds (distance) C4'-P energy: -74.454 bonds (distance) P-C4' energy: -76.878 flat angles C4'-P-C4' energy: -86.856 flat angles P-C4'-P energy: -56.580 tors. eta vs tors. theta energy: -110.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1141.597206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.597206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.597206 (E_RNA) where: Base-Base interactions energy: -765.175 where: short stacking energy: -346.224 Base-Backbone interact. energy: -2.626 local terms energy: -373.796256 where: bonds (distance) C4'-P energy: -55.605 bonds (distance) P-C4' energy: -89.217 flat angles C4'-P-C4' energy: -82.004 flat angles P-C4'-P energy: -50.890 tors. eta vs tors. theta energy: -96.080 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: 5, replica: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -866.653134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.653134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.653134 (E_RNA) where: Base-Base interactions energy: -547.371 where: short stacking energy: -253.883 Base-Backbone interact. energy: -1.283 local terms energy: -317.998296 where: bonds (distance) C4'-P energy: -57.024 bonds (distance) P-C4' energy: -76.009 flat angles C4'-P-C4' energy: -81.461 flat angles P-C4'-P energy: -54.255 tors. eta vs tors. theta energy: -49.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -891.341182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.341182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.341182 (E_RNA) where: Base-Base interactions energy: -559.352 where: short stacking energy: -260.913 Base-Backbone interact. energy: -0.455 local terms energy: -331.534617 where: bonds (distance) C4'-P energy: -65.572 bonds (distance) P-C4' energy: -64.947 flat angles C4'-P-C4' energy: -81.710 flat angles P-C4'-P energy: -47.235 tors. eta vs tors. theta energy: -72.071 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: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -761.311677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.311677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.311677 (E_RNA) where: Base-Base interactions energy: -441.140 where: short stacking energy: -227.872 Base-Backbone interact. energy: -0.245 local terms energy: -319.926516 where: bonds (distance) C4'-P energy: -66.424 bonds (distance) P-C4' energy: -74.032 flat angles C4'-P-C4' energy: -77.585 flat angles P-C4'-P energy: -42.243 tors. eta vs tors. theta energy: -59.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -616.167651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.167651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.167651 (E_RNA) where: Base-Base interactions energy: -347.931 where: short stacking energy: -164.759 Base-Backbone interact. energy: 0.447 local terms energy: -268.683387 where: bonds (distance) C4'-P energy: -68.422 bonds (distance) P-C4' energy: -77.904 flat angles C4'-P-C4' energy: -68.691 flat angles P-C4'-P energy: -38.192 tors. eta vs tors. theta energy: -15.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -493.669501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.669501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.669501 (E_RNA) where: Base-Base interactions energy: -248.613 where: short stacking energy: -139.608 Base-Backbone interact. energy: -0.951 local terms energy: -244.104780 where: bonds (distance) C4'-P energy: -61.467 bonds (distance) P-C4' energy: -67.375 flat angles C4'-P-C4' energy: -64.355 flat angles P-C4'-P energy: -36.779 tors. eta vs tors. theta energy: -14.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -525.536701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.536701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.536701 (E_RNA) where: Base-Base interactions energy: -313.336 where: short stacking energy: -160.692 Base-Backbone interact. energy: 3.744 local terms energy: -215.943972 where: bonds (distance) C4'-P energy: -59.112 bonds (distance) P-C4' energy: -67.372 flat angles C4'-P-C4' energy: -60.999 flat angles P-C4'-P energy: -17.717 tors. eta vs tors. theta energy: -10.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1370.496461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.496461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.496461 (E_RNA) where: Base-Base interactions energy: -928.262 where: short stacking energy: -420.445 Base-Backbone interact. energy: 1.104 local terms energy: -443.338055 where: bonds (distance) C4'-P energy: -78.112 bonds (distance) P-C4' energy: -84.500 flat angles C4'-P-C4' energy: -89.610 flat angles P-C4'-P energy: -71.016 tors. eta vs tors. theta energy: -120.100 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: 287 Temperature: 0.950000 Total energy: -1243.162975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.162975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.162975 (E_RNA) where: Base-Base interactions energy: -837.774 where: short stacking energy: -393.076 Base-Backbone interact. energy: -1.707 local terms energy: -403.681577 where: bonds (distance) C4'-P energy: -66.335 bonds (distance) P-C4' energy: -68.544 flat angles C4'-P-C4' energy: -90.879 flat angles P-C4'-P energy: -58.134 tors. eta vs tors. theta energy: -119.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1225.316203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.316203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.316203 (E_RNA) where: Base-Base interactions energy: -820.900 where: short stacking energy: -361.730 Base-Backbone interact. energy: -2.000 local terms energy: -402.416226 where: bonds (distance) C4'-P energy: -84.415 bonds (distance) P-C4' energy: -74.344 flat angles C4'-P-C4' energy: -87.171 flat angles P-C4'-P energy: -50.944 tors. eta vs tors. theta energy: -105.542 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: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1143.788688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.788688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.788688 (E_RNA) where: Base-Base interactions energy: -761.957 where: short stacking energy: -347.149 Base-Backbone interact. energy: -3.394 local terms energy: -378.438040 where: bonds (distance) C4'-P energy: -65.006 bonds (distance) P-C4' energy: -75.901 flat angles C4'-P-C4' energy: -80.782 flat angles P-C4'-P energy: -59.389 tors. eta vs tors. theta energy: -97.360 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: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -907.614542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.614542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.614542 (E_RNA) where: Base-Base interactions energy: -572.304 where: short stacking energy: -254.554 Base-Backbone interact. energy: -2.256 local terms energy: -333.055081 where: bonds (distance) C4'-P energy: -67.052 bonds (distance) P-C4' energy: -71.600 flat angles C4'-P-C4' energy: -82.575 flat angles P-C4'-P energy: -51.901 tors. eta vs tors. theta energy: -59.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -941.449789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.449789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.449789 (E_RNA) where: Base-Base interactions energy: -584.980 where: short stacking energy: -279.327 Base-Backbone interact. energy: -0.732 local terms energy: -355.738188 where: bonds (distance) C4'-P energy: -73.790 bonds (distance) P-C4' energy: -73.041 flat angles C4'-P-C4' energy: -75.027 flat angles P-C4'-P energy: -51.907 tors. eta vs tors. theta energy: -81.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -780.773539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.773539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.773539 (E_RNA) where: Base-Base interactions energy: -484.889 where: short stacking energy: -242.927 Base-Backbone interact. energy: -1.762 local terms energy: -294.122516 where: bonds (distance) C4'-P energy: -62.290 bonds (distance) P-C4' energy: -70.786 flat angles C4'-P-C4' energy: -66.496 flat angles P-C4'-P energy: -45.877 tors. eta vs tors. theta energy: -48.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -638.201564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.201564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.201564 (E_RNA) where: Base-Base interactions energy: -353.615 where: short stacking energy: -178.462 Base-Backbone interact. energy: -0.625 local terms energy: -283.961797 where: bonds (distance) C4'-P energy: -61.046 bonds (distance) P-C4' energy: -77.569 flat angles C4'-P-C4' energy: -65.024 flat angles P-C4'-P energy: -49.711 tors. eta vs tors. theta energy: -30.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -515.277432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.277432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.277432 (E_RNA) where: Base-Base interactions energy: -262.794 where: short stacking energy: -146.764 Base-Backbone interact. energy: 0.322 local terms energy: -252.805638 where: bonds (distance) C4'-P energy: -59.801 bonds (distance) P-C4' energy: -70.440 flat angles C4'-P-C4' energy: -77.150 flat angles P-C4'-P energy: -27.837 tors. eta vs tors. theta energy: -17.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -522.155291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.155291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.155291 (E_RNA) where: Base-Base interactions energy: -295.859 where: short stacking energy: -143.550 Base-Backbone interact. energy: -1.845 local terms energy: -224.451106 where: bonds (distance) C4'-P energy: -68.753 bonds (distance) P-C4' energy: -65.491 flat angles C4'-P-C4' energy: -38.633 flat angles P-C4'-P energy: -32.284 tors. eta vs tors. theta energy: -19.289 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: 10 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1382.555095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.555095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.555095 (E_RNA) where: Base-Base interactions energy: -940.578 where: short stacking energy: -450.649 Base-Backbone interact. energy: -0.369 local terms energy: -441.608180 where: bonds (distance) C4'-P energy: -76.338 bonds (distance) P-C4' energy: -75.391 flat angles C4'-P-C4' energy: -87.161 flat angles P-C4'-P energy: -70.720 tors. eta vs tors. theta energy: -131.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1273.180587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.180587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.180587 (E_RNA) where: Base-Base interactions energy: -855.288 where: short stacking energy: -395.275 Base-Backbone interact. energy: -1.594 local terms energy: -416.298352 where: bonds (distance) C4'-P energy: -75.955 bonds (distance) P-C4' energy: -73.383 flat angles C4'-P-C4' energy: -94.447 flat angles P-C4'-P energy: -57.648 tors. eta vs tors. theta energy: -114.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1245.058010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.058010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.058010 (E_RNA) where: Base-Base interactions energy: -819.260 where: short stacking energy: -352.542 Base-Backbone interact. energy: -0.685 local terms energy: -425.112542 where: bonds (distance) C4'-P energy: -75.723 bonds (distance) P-C4' energy: -94.105 flat angles C4'-P-C4' energy: -81.872 flat angles P-C4'-P energy: -60.527 tors. eta vs tors. theta energy: -112.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1131.481049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.481049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.481049 (E_RNA) where: Base-Base interactions energy: -758.026 where: short stacking energy: -337.178 Base-Backbone interact. energy: 2.736 local terms energy: -376.191335 where: bonds (distance) C4'-P energy: -77.296 bonds (distance) P-C4' energy: -78.975 flat angles C4'-P-C4' energy: -84.222 flat angles P-C4'-P energy: -45.551 tors. eta vs tors. theta energy: -90.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -939.314734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.314734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.314734 (E_RNA) where: Base-Base interactions energy: -589.193 where: short stacking energy: -287.384 Base-Backbone interact. energy: 0.146 local terms energy: -350.268023 where: bonds (distance) C4'-P energy: -77.829 bonds (distance) P-C4' energy: -81.977 flat angles C4'-P-C4' energy: -82.425 flat angles P-C4'-P energy: -33.155 tors. eta vs tors. theta energy: -74.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -891.020294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.020294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.020294 (E_RNA) where: Base-Base interactions energy: -579.743 where: short stacking energy: -282.811 Base-Backbone interact. energy: -1.450 local terms energy: -309.827735 where: bonds (distance) C4'-P energy: -52.769 bonds (distance) P-C4' energy: -70.332 flat angles C4'-P-C4' energy: -68.473 flat angles P-C4'-P energy: -51.858 tors. eta vs tors. theta energy: -66.395 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: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -750.259633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.259633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.259633 (E_RNA) where: Base-Base interactions energy: -450.510 where: short stacking energy: -224.508 Base-Backbone interact. energy: 2.411 local terms energy: -302.161137 where: bonds (distance) C4'-P energy: -61.162 bonds (distance) P-C4' energy: -74.166 flat angles C4'-P-C4' energy: -65.634 flat angles P-C4'-P energy: -43.675 tors. eta vs tors. theta energy: -57.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -639.848311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.848311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.848311 (E_RNA) where: Base-Base interactions energy: -378.245 where: short stacking energy: -186.171 Base-Backbone interact. energy: -0.674 local terms energy: -260.929390 where: bonds (distance) C4'-P energy: -59.783 bonds (distance) P-C4' energy: -70.395 flat angles C4'-P-C4' energy: -49.666 flat angles P-C4'-P energy: -50.098 tors. eta vs tors. theta energy: -30.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -500.411210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.411210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.411210 (E_RNA) where: Base-Base interactions energy: -248.294 where: short stacking energy: -146.484 Base-Backbone interact. energy: -1.914 local terms energy: -250.203339 where: bonds (distance) C4'-P energy: -64.904 bonds (distance) P-C4' energy: -75.697 flat angles C4'-P-C4' energy: -50.487 flat angles P-C4'-P energy: -45.861 tors. eta vs tors. theta energy: -13.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -483.445866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.445866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.445866 (E_RNA) where: Base-Base interactions energy: -252.388 where: short stacking energy: -139.257 Base-Backbone interact. energy: 0.376 local terms energy: -231.434635 where: bonds (distance) C4'-P energy: -63.598 bonds (distance) P-C4' energy: -65.484 flat angles C4'-P-C4' energy: -56.534 flat angles P-C4'-P energy: -41.315 tors. eta vs tors. theta energy: -4.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1386.433896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.433896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.433896 (E_RNA) where: Base-Base interactions energy: -946.030 where: short stacking energy: -434.625 Base-Backbone interact. energy: -0.580 local terms energy: -439.824045 where: bonds (distance) C4'-P energy: -77.917 bonds (distance) P-C4' energy: -78.218 flat angles C4'-P-C4' energy: -97.238 flat angles P-C4'-P energy: -56.273 tors. eta vs tors. theta energy: -130.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1258.335566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.335566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.335566 (E_RNA) where: Base-Base interactions energy: -838.834 where: short stacking energy: -392.865 Base-Backbone interact. energy: -3.488 local terms energy: -416.013526 where: bonds (distance) C4'-P energy: -82.149 bonds (distance) P-C4' energy: -79.237 flat angles C4'-P-C4' energy: -85.931 flat angles P-C4'-P energy: -54.086 tors. eta vs tors. theta energy: -114.610 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: 7 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1227.998269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.998269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.998269 (E_RNA) where: Base-Base interactions energy: -825.682 where: short stacking energy: -357.945 Base-Backbone interact. energy: 2.394 local terms energy: -404.710042 where: bonds (distance) C4'-P energy: -76.588 bonds (distance) P-C4' energy: -76.294 flat angles C4'-P-C4' energy: -86.788 flat angles P-C4'-P energy: -55.027 tors. eta vs tors. theta energy: -110.013 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: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1082.513847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.513847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.513847 (E_RNA) where: Base-Base interactions energy: -736.249 where: short stacking energy: -308.856 Base-Backbone interact. energy: -2.839 local terms energy: -343.425634 where: bonds (distance) C4'-P energy: -60.536 bonds (distance) P-C4' energy: -66.279 flat angles C4'-P-C4' energy: -78.683 flat angles P-C4'-P energy: -57.979 tors. eta vs tors. theta energy: -79.949 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: 1 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -950.901504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.901504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.901504 (E_RNA) where: Base-Base interactions energy: -595.582 where: short stacking energy: -281.143 Base-Backbone interact. energy: -1.834 local terms energy: -353.486163 where: bonds (distance) C4'-P energy: -70.509 bonds (distance) P-C4' energy: -76.710 flat angles C4'-P-C4' energy: -78.672 flat angles P-C4'-P energy: -47.833 tors. eta vs tors. theta energy: -79.763 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: 6, replica: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -885.464293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.464293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.464293 (E_RNA) where: Base-Base interactions energy: -568.918 where: short stacking energy: -277.361 Base-Backbone interact. energy: -0.486 local terms energy: -316.059976 where: bonds (distance) C4'-P energy: -60.081 bonds (distance) P-C4' energy: -62.710 flat angles C4'-P-C4' energy: -73.943 flat angles P-C4'-P energy: -37.665 tors. eta vs tors. theta energy: -81.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -779.526913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.526913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.526913 (E_RNA) where: Base-Base interactions energy: -467.455 where: short stacking energy: -251.699 Base-Backbone interact. energy: 0.969 local terms energy: -313.041077 where: bonds (distance) C4'-P energy: -68.133 bonds (distance) P-C4' energy: -66.602 flat angles C4'-P-C4' energy: -69.043 flat angles P-C4'-P energy: -49.736 tors. eta vs tors. theta energy: -59.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -667.762313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.762313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.762313 (E_RNA) where: Base-Base interactions energy: -385.844 where: short stacking energy: -193.780 Base-Backbone interact. energy: -0.985 local terms energy: -280.933536 where: bonds (distance) C4'-P energy: -65.945 bonds (distance) P-C4' energy: -69.189 flat angles C4'-P-C4' energy: -69.187 flat angles P-C4'-P energy: -42.479 tors. eta vs tors. theta energy: -34.134 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: 289 Temperature: 1.300000 Total energy: -504.124253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.124253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.124253 (E_RNA) where: Base-Base interactions energy: -282.061 where: short stacking energy: -140.877 Base-Backbone interact. energy: -0.353 local terms energy: -221.710117 where: bonds (distance) C4'-P energy: -58.675 bonds (distance) P-C4' energy: -74.926 flat angles C4'-P-C4' energy: -48.577 flat angles P-C4'-P energy: -32.760 tors. eta vs tors. theta energy: -6.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -468.727884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.727884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.727884 (E_RNA) where: Base-Base interactions energy: -247.469 where: short stacking energy: -139.603 Base-Backbone interact. energy: 3.055 local terms energy: -224.314415 where: bonds (distance) C4'-P energy: -52.553 bonds (distance) P-C4' energy: -63.531 flat angles C4'-P-C4' energy: -62.809 flat angles P-C4'-P energy: -35.175 tors. eta vs tors. theta energy: -10.245 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: 10 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1358.607198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.607198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.607198 (E_RNA) where: Base-Base interactions energy: -912.503 where: short stacking energy: -429.679 Base-Backbone interact. energy: -0.845 local terms energy: -445.259607 where: bonds (distance) C4'-P energy: -82.990 bonds (distance) P-C4' energy: -79.593 flat angles C4'-P-C4' energy: -90.869 flat angles P-C4'-P energy: -59.958 tors. eta vs tors. theta energy: -131.850 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: 290 Temperature: 0.950000 Total energy: -1236.087463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.087463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.087463 (E_RNA) where: Base-Base interactions energy: -823.498 where: short stacking energy: -384.121 Base-Backbone interact. energy: -0.396 local terms energy: -412.193093 where: bonds (distance) C4'-P energy: -76.399 bonds (distance) P-C4' energy: -70.879 flat angles C4'-P-C4' energy: -91.998 flat angles P-C4'-P energy: -65.299 tors. eta vs tors. theta energy: -107.618 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: 7 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1215.531725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.531725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.531725 (E_RNA) where: Base-Base interactions energy: -826.997 where: short stacking energy: -356.261 Base-Backbone interact. energy: 0.348 local terms energy: -388.881891 where: bonds (distance) C4'-P energy: -73.903 bonds (distance) P-C4' energy: -70.983 flat angles C4'-P-C4' energy: -82.885 flat angles P-C4'-P energy: -55.695 tors. eta vs tors. theta energy: -105.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1073.498822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.498822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.498822 (E_RNA) where: Base-Base interactions energy: -711.880 where: short stacking energy: -318.759 Base-Backbone interact. energy: -2.336 local terms energy: -359.282827 where: bonds (distance) C4'-P energy: -65.334 bonds (distance) P-C4' energy: -83.180 flat angles C4'-P-C4' energy: -81.399 flat angles P-C4'-P energy: -48.859 tors. eta vs tors. theta energy: -80.510 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: 290 Temperature: 1.100000 Total energy: -969.496820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.496820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.496820 (E_RNA) where: Base-Base interactions energy: -617.936 where: short stacking energy: -271.154 Base-Backbone interact. energy: -1.318 local terms energy: -350.243208 where: bonds (distance) C4'-P energy: -72.839 bonds (distance) P-C4' energy: -71.363 flat angles C4'-P-C4' energy: -72.959 flat angles P-C4'-P energy: -58.950 tors. eta vs tors. theta energy: -74.132 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: 4 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -856.134379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.134379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.134379 (E_RNA) where: Base-Base interactions energy: -530.132 where: short stacking energy: -247.234 Base-Backbone interact. energy: 0.490 local terms energy: -326.492355 where: bonds (distance) C4'-P energy: -63.179 bonds (distance) P-C4' energy: -85.213 flat angles C4'-P-C4' energy: -66.298 flat angles P-C4'-P energy: -47.343 tors. eta vs tors. theta energy: -64.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -766.603550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.603550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.603550 (E_RNA) where: Base-Base interactions energy: -444.729 where: short stacking energy: -223.634 Base-Backbone interact. energy: -0.554 local terms energy: -321.320927 where: bonds (distance) C4'-P energy: -67.478 bonds (distance) P-C4' energy: -79.768 flat angles C4'-P-C4' energy: -82.595 flat angles P-C4'-P energy: -33.241 tors. eta vs tors. theta energy: -58.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -670.345419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.345419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.345419 (E_RNA) where: Base-Base interactions energy: -393.620 where: short stacking energy: -212.925 Base-Backbone interact. energy: -2.046 local terms energy: -274.679000 where: bonds (distance) C4'-P energy: -60.975 bonds (distance) P-C4' energy: -66.215 flat angles C4'-P-C4' energy: -68.248 flat angles P-C4'-P energy: -43.816 tors. eta vs tors. theta energy: -35.426 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: 8 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -509.910284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.910284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.910284 (E_RNA) where: Base-Base interactions energy: -267.428 where: short stacking energy: -141.432 Base-Backbone interact. energy: 0.205 local terms energy: -242.686811 where: bonds (distance) C4'-P energy: -61.859 bonds (distance) P-C4' energy: -65.690 flat angles C4'-P-C4' energy: -60.553 flat angles P-C4'-P energy: -37.715 tors. eta vs tors. theta energy: -16.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -471.267096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.267096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.267096 (E_RNA) where: Base-Base interactions energy: -233.724 where: short stacking energy: -125.177 Base-Backbone interact. energy: 2.079 local terms energy: -239.622359 where: bonds (distance) C4'-P energy: -70.428 bonds (distance) P-C4' energy: -69.885 flat angles C4'-P-C4' energy: -65.928 flat angles P-C4'-P energy: -25.490 tors. eta vs tors. theta energy: -7.891 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: 10 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1354.910832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.910832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.910832 (E_RNA) where: Base-Base interactions energy: -919.364 where: short stacking energy: -416.775 Base-Backbone interact. energy: -0.500 local terms energy: -435.047376 where: bonds (distance) C4'-P energy: -83.973 bonds (distance) P-C4' energy: -75.241 flat angles C4'-P-C4' energy: -89.136 flat angles P-C4'-P energy: -57.712 tors. eta vs tors. theta energy: -128.985 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: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1283.201540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.201540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.201540 (E_RNA) where: Base-Base interactions energy: -873.240 where: short stacking energy: -397.673 Base-Backbone interact. energy: -1.142 local terms energy: -408.819689 where: bonds (distance) C4'-P energy: -74.100 bonds (distance) P-C4' energy: -77.953 flat angles C4'-P-C4' energy: -91.342 flat angles P-C4'-P energy: -57.263 tors. eta vs tors. theta energy: -108.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1223.363025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.363025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.363025 (E_RNA) where: Base-Base interactions energy: -801.637 where: short stacking energy: -386.645 Base-Backbone interact. energy: -0.223 local terms energy: -421.503001 where: bonds (distance) C4'-P energy: -66.418 bonds (distance) P-C4' energy: -80.529 flat angles C4'-P-C4' energy: -89.708 flat angles P-C4'-P energy: -61.588 tors. eta vs tors. theta energy: -123.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1086.755150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.755150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.755150 (E_RNA) where: Base-Base interactions energy: -706.907 where: short stacking energy: -319.053 Base-Backbone interact. energy: 0.871 local terms energy: -380.719293 where: bonds (distance) C4'-P energy: -74.022 bonds (distance) P-C4' energy: -76.599 flat angles C4'-P-C4' energy: -90.731 flat angles P-C4'-P energy: -56.943 tors. eta vs tors. theta energy: -82.424 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: 1 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -969.940939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.940939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.940939 (E_RNA) where: Base-Base interactions energy: -626.279 where: short stacking energy: -308.876 Base-Backbone interact. energy: -0.647 local terms energy: -343.015692 where: bonds (distance) C4'-P energy: -70.258 bonds (distance) P-C4' energy: -67.035 flat angles C4'-P-C4' energy: -82.050 flat angles P-C4'-P energy: -39.771 tors. eta vs tors. theta energy: -83.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -826.212410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.212410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.212410 (E_RNA) where: Base-Base interactions energy: -492.114 where: short stacking energy: -254.152 Base-Backbone interact. energy: 0.809 local terms energy: -334.907919 where: bonds (distance) C4'-P energy: -72.096 bonds (distance) P-C4' energy: -72.080 flat angles C4'-P-C4' energy: -83.461 flat angles P-C4'-P energy: -48.932 tors. eta vs tors. theta energy: -58.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -804.722403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.722403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.722403 (E_RNA) where: Base-Base interactions energy: -513.391 where: short stacking energy: -255.664 Base-Backbone interact. energy: -1.107 local terms energy: -290.224487 where: bonds (distance) C4'-P energy: -61.635 bonds (distance) P-C4' energy: -68.550 flat angles C4'-P-C4' energy: -72.136 flat angles P-C4'-P energy: -26.280 tors. eta vs tors. theta energy: -61.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -630.346147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.346147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.346147 (E_RNA) where: Base-Base interactions energy: -361.759 where: short stacking energy: -202.493 Base-Backbone interact. energy: 0.384 local terms energy: -268.971550 where: bonds (distance) C4'-P energy: -66.080 bonds (distance) P-C4' energy: -66.804 flat angles C4'-P-C4' energy: -54.383 flat angles P-C4'-P energy: -46.081 tors. eta vs tors. theta energy: -35.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -527.005179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.005179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.005179 (E_RNA) where: Base-Base interactions energy: -271.014 where: short stacking energy: -161.235 Base-Backbone interact. energy: 0.345 local terms energy: -256.335775 where: bonds (distance) C4'-P energy: -70.072 bonds (distance) P-C4' energy: -71.341 flat angles C4'-P-C4' energy: -79.104 flat angles P-C4'-P energy: -17.398 tors. eta vs tors. theta energy: -18.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -470.885696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.885696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.885696 (E_RNA) where: Base-Base interactions energy: -240.585 where: short stacking energy: -134.510 Base-Backbone interact. energy: 1.370 local terms energy: -231.670689 where: bonds (distance) C4'-P energy: -60.333 bonds (distance) P-C4' energy: -65.844 flat angles C4'-P-C4' energy: -59.985 flat angles P-C4'-P energy: -38.394 tors. eta vs tors. theta energy: -7.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1349.544233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.544233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.544233 (E_RNA) where: Base-Base interactions energy: -912.151 where: short stacking energy: -431.757 Base-Backbone interact. energy: 0.661 local terms energy: -438.054176 where: bonds (distance) C4'-P energy: -78.474 bonds (distance) P-C4' energy: -83.080 flat angles C4'-P-C4' energy: -84.984 flat angles P-C4'-P energy: -60.313 tors. eta vs tors. theta energy: -131.204 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: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1269.642133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.642133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.642133 (E_RNA) where: Base-Base interactions energy: -857.041 where: short stacking energy: -374.349 Base-Backbone interact. energy: 1.673 local terms energy: -414.274516 where: bonds (distance) C4'-P energy: -79.630 bonds (distance) P-C4' energy: -76.868 flat angles C4'-P-C4' energy: -92.525 flat angles P-C4'-P energy: -56.857 tors. eta vs tors. theta energy: -108.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1238.134997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.134997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.134997 (E_RNA) where: Base-Base interactions energy: -827.161 where: short stacking energy: -386.201 Base-Backbone interact. energy: 0.027 local terms energy: -411.000342 where: bonds (distance) C4'-P energy: -74.349 bonds (distance) P-C4' energy: -87.672 flat angles C4'-P-C4' energy: -81.659 flat angles P-C4'-P energy: -53.733 tors. eta vs tors. theta energy: -113.588 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: 2 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1094.689180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.689180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.689180 (E_RNA) where: Base-Base interactions energy: -717.550 where: short stacking energy: -321.810 Base-Backbone interact. energy: -1.300 local terms energy: -375.839743 where: bonds (distance) C4'-P energy: -71.296 bonds (distance) P-C4' energy: -71.886 flat angles C4'-P-C4' energy: -85.820 flat angles P-C4'-P energy: -52.554 tors. eta vs tors. theta energy: -94.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -958.432861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.432861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.432861 (E_RNA) where: Base-Base interactions energy: -607.238 where: short stacking energy: -283.837 Base-Backbone interact. energy: -1.021 local terms energy: -350.173730 where: bonds (distance) C4'-P energy: -70.693 bonds (distance) P-C4' energy: -83.830 flat angles C4'-P-C4' energy: -66.470 flat angles P-C4'-P energy: -53.880 tors. eta vs tors. theta energy: -75.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -804.406690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.406690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.406690 (E_RNA) where: Base-Base interactions energy: -484.908 where: short stacking energy: -235.948 Base-Backbone interact. energy: 0.451 local terms energy: -319.949604 where: bonds (distance) C4'-P energy: -74.721 bonds (distance) P-C4' energy: -78.211 flat angles C4'-P-C4' energy: -68.479 flat angles P-C4'-P energy: -47.649 tors. eta vs tors. theta energy: -50.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -780.247473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.247473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.247473 (E_RNA) where: Base-Base interactions energy: -455.533 where: short stacking energy: -219.816 Base-Backbone interact. energy: 0.992 local terms energy: -325.706476 where: bonds (distance) C4'-P energy: -77.307 bonds (distance) P-C4' energy: -77.705 flat angles C4'-P-C4' energy: -81.450 flat angles P-C4'-P energy: -43.054 tors. eta vs tors. theta energy: -46.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -635.976371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.976371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.976371 (E_RNA) where: Base-Base interactions energy: -354.127 where: short stacking energy: -185.056 Base-Backbone interact. energy: -0.129 local terms energy: -281.719649 where: bonds (distance) C4'-P energy: -64.378 bonds (distance) P-C4' energy: -61.509 flat angles C4'-P-C4' energy: -78.535 flat angles P-C4'-P energy: -45.650 tors. eta vs tors. theta energy: -31.647 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: 8 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -516.143542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.143542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.143542 (E_RNA) where: Base-Base interactions energy: -271.335 where: short stacking energy: -149.510 Base-Backbone interact. energy: 0.821 local terms energy: -245.628753 where: bonds (distance) C4'-P energy: -65.426 bonds (distance) P-C4' energy: -72.856 flat angles C4'-P-C4' energy: -44.215 flat angles P-C4'-P energy: -53.529 tors. eta vs tors. theta energy: -9.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -481.129835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.129835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.129835 (E_RNA) where: Base-Base interactions energy: -247.782 where: short stacking energy: -133.755 Base-Backbone interact. energy: 1.570 local terms energy: -234.917757 where: bonds (distance) C4'-P energy: -62.215 bonds (distance) P-C4' energy: -69.552 flat angles C4'-P-C4' energy: -58.132 flat angles P-C4'-P energy: -41.863 tors. eta vs tors. theta energy: -3.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1356.879405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.879405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.879405 (E_RNA) where: Base-Base interactions energy: -920.245 where: short stacking energy: -417.828 Base-Backbone interact. energy: -0.944 local terms energy: -435.690473 where: bonds (distance) C4'-P energy: -89.973 bonds (distance) P-C4' energy: -71.483 flat angles C4'-P-C4' energy: -85.898 flat angles P-C4'-P energy: -57.014 tors. eta vs tors. theta energy: -131.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1277.648594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.648594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.648594 (E_RNA) where: Base-Base interactions energy: -885.021 where: short stacking energy: -386.664 Base-Backbone interact. energy: -3.873 local terms energy: -388.754920 where: bonds (distance) C4'-P energy: -61.173 bonds (distance) P-C4' energy: -75.413 flat angles C4'-P-C4' energy: -88.993 flat angles P-C4'-P energy: -55.161 tors. eta vs tors. theta energy: -108.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1195.740157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.740157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.740157 (E_RNA) where: Base-Base interactions energy: -801.436 where: short stacking energy: -366.984 Base-Backbone interact. energy: -2.367 local terms energy: -391.936931 where: bonds (distance) C4'-P energy: -72.607 bonds (distance) P-C4' energy: -73.253 flat angles C4'-P-C4' energy: -85.308 flat angles P-C4'-P energy: -55.408 tors. eta vs tors. theta energy: -105.361 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: 2 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1157.222219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.222219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.222219 (E_RNA) where: Base-Base interactions energy: -757.257 where: short stacking energy: -350.080 Base-Backbone interact. energy: -0.013 local terms energy: -399.951582 where: bonds (distance) C4'-P energy: -85.028 bonds (distance) P-C4' energy: -77.331 flat angles C4'-P-C4' energy: -74.710 flat angles P-C4'-P energy: -60.202 tors. eta vs tors. theta energy: -102.681 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: 1 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -955.677968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.677968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.677968 (E_RNA) where: Base-Base interactions energy: -612.300 where: short stacking energy: -274.331 Base-Backbone interact. energy: -1.654 local terms energy: -341.724104 where: bonds (distance) C4'-P energy: -63.409 bonds (distance) P-C4' energy: -79.738 flat angles C4'-P-C4' energy: -73.694 flat angles P-C4'-P energy: -48.547 tors. eta vs tors. theta energy: -76.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -828.302192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.302192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.302192 (E_RNA) where: Base-Base interactions energy: -511.251 where: short stacking energy: -239.432 Base-Backbone interact. energy: 0.256 local terms energy: -317.307810 where: bonds (distance) C4'-P energy: -66.416 bonds (distance) P-C4' energy: -74.134 flat angles C4'-P-C4' energy: -74.917 flat angles P-C4'-P energy: -47.203 tors. eta vs tors. theta energy: -54.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -720.559523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.559523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.559523 (E_RNA) where: Base-Base interactions energy: -419.017 where: short stacking energy: -212.461 Base-Backbone interact. energy: -1.078 local terms energy: -300.464433 where: bonds (distance) C4'-P energy: -74.853 bonds (distance) P-C4' energy: -60.452 flat angles C4'-P-C4' energy: -70.221 flat angles P-C4'-P energy: -48.272 tors. eta vs tors. theta energy: -46.665 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: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -648.133009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.133009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.133009 (E_RNA) where: Base-Base interactions energy: -362.334 where: short stacking energy: -204.798 Base-Backbone interact. energy: 2.972 local terms energy: -288.771056 where: bonds (distance) C4'-P energy: -61.487 bonds (distance) P-C4' energy: -81.961 flat angles C4'-P-C4' energy: -59.198 flat angles P-C4'-P energy: -39.829 tors. eta vs tors. theta energy: -46.296 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: 8 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -487.581468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.581468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.581468 (E_RNA) where: Base-Base interactions energy: -231.157 where: short stacking energy: -134.080 Base-Backbone interact. energy: 0.727 local terms energy: -257.151834 where: bonds (distance) C4'-P energy: -54.901 bonds (distance) P-C4' energy: -79.383 flat angles C4'-P-C4' energy: -57.444 flat angles P-C4'-P energy: -59.740 tors. eta vs tors. theta energy: -5.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -475.223649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.223649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.223649 (E_RNA) where: Base-Base interactions energy: -254.899 where: short stacking energy: -127.297 Base-Backbone interact. energy: -0.540 local terms energy: -219.784778 where: bonds (distance) C4'-P energy: -60.189 bonds (distance) P-C4' energy: -81.565 flat angles C4'-P-C4' energy: -52.571 flat angles P-C4'-P energy: -20.766 tors. eta vs tors. theta energy: -4.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1340.938638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.938638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.938638 (E_RNA) where: Base-Base interactions energy: -921.318 where: short stacking energy: -406.699 Base-Backbone interact. energy: -0.528 local terms energy: -419.092714 where: bonds (distance) C4'-P energy: -78.335 bonds (distance) P-C4' energy: -79.952 flat angles C4'-P-C4' energy: -81.115 flat angles P-C4'-P energy: -62.325 tors. eta vs tors. theta energy: -117.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1271.997361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.997361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.997361 (E_RNA) where: Base-Base interactions energy: -880.998 where: short stacking energy: -376.751 Base-Backbone interact. energy: 0.029 local terms energy: -391.028225 where: bonds (distance) C4'-P energy: -70.034 bonds (distance) P-C4' energy: -76.752 flat angles C4'-P-C4' energy: -83.241 flat angles P-C4'-P energy: -54.101 tors. eta vs tors. theta energy: -106.901 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: 294 Temperature: 1.000000 Total energy: -1236.569829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.569829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.569829 (E_RNA) where: Base-Base interactions energy: -816.218 where: short stacking energy: -356.269 Base-Backbone interact. energy: -2.389 local terms energy: -417.963329 where: bonds (distance) C4'-P energy: -76.377 bonds (distance) P-C4' energy: -75.162 flat angles C4'-P-C4' energy: -99.132 flat angles P-C4'-P energy: -55.355 tors. eta vs tors. theta energy: -111.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1125.094422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.094422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.094422 (E_RNA) where: Base-Base interactions energy: -752.331 where: short stacking energy: -311.362 Base-Backbone interact. energy: -1.526 local terms energy: -371.237191 where: bonds (distance) C4'-P energy: -72.983 bonds (distance) P-C4' energy: -77.467 flat angles C4'-P-C4' energy: -71.887 flat angles P-C4'-P energy: -57.411 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: 5, replica: 1 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -975.342045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.342045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.342045 (E_RNA) where: Base-Base interactions energy: -598.919 where: short stacking energy: -310.276 Base-Backbone interact. energy: -1.819 local terms energy: -374.604282 where: bonds (distance) C4'-P energy: -76.877 bonds (distance) P-C4' energy: -78.688 flat angles C4'-P-C4' energy: -83.883 flat angles P-C4'-P energy: -53.743 tors. eta vs tors. theta energy: -81.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -847.146547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.146547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.146547 (E_RNA) where: Base-Base interactions energy: -509.853 where: short stacking energy: -261.318 Base-Backbone interact. energy: 3.588 local terms energy: -340.882239 where: bonds (distance) C4'-P energy: -78.343 bonds (distance) P-C4' energy: -75.307 flat angles C4'-P-C4' energy: -75.522 flat angles P-C4'-P energy: -48.755 tors. eta vs tors. theta energy: -62.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -749.657124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.657124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.657124 (E_RNA) where: Base-Base interactions energy: -429.869 where: short stacking energy: -220.397 Base-Backbone interact. energy: -2.238 local terms energy: -317.550812 where: bonds (distance) C4'-P energy: -68.034 bonds (distance) P-C4' energy: -71.187 flat angles C4'-P-C4' energy: -78.233 flat angles P-C4'-P energy: -48.567 tors. eta vs tors. theta energy: -51.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -629.335900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.335900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.335900 (E_RNA) where: Base-Base interactions energy: -350.143 where: short stacking energy: -180.472 Base-Backbone interact. energy: -1.662 local terms energy: -277.531060 where: bonds (distance) C4'-P energy: -57.818 bonds (distance) P-C4' energy: -73.466 flat angles C4'-P-C4' energy: -62.862 flat angles P-C4'-P energy: -47.791 tors. eta vs tors. theta energy: -35.594 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: 3 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -516.765230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.765230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.765230 (E_RNA) where: Base-Base interactions energy: -261.271 where: short stacking energy: -153.858 Base-Backbone interact. energy: -0.680 local terms energy: -254.814341 where: bonds (distance) C4'-P energy: -62.221 bonds (distance) P-C4' energy: -69.045 flat angles C4'-P-C4' energy: -69.271 flat angles P-C4'-P energy: -38.930 tors. eta vs tors. theta energy: -15.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -478.983136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.983136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.983136 (E_RNA) where: Base-Base interactions energy: -238.698 where: short stacking energy: -139.775 Base-Backbone interact. energy: 2.658 local terms energy: -242.943436 where: bonds (distance) C4'-P energy: -70.003 bonds (distance) P-C4' energy: -70.234 flat angles C4'-P-C4' energy: -52.336 flat angles P-C4'-P energy: -34.244 tors. eta vs tors. theta energy: -16.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1355.862342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.862342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.862342 (E_RNA) where: Base-Base interactions energy: -912.369 where: short stacking energy: -419.917 Base-Backbone interact. energy: -1.176 local terms energy: -442.316832 where: bonds (distance) C4'-P energy: -84.146 bonds (distance) P-C4' energy: -83.073 flat angles C4'-P-C4' energy: -91.296 flat angles P-C4'-P energy: -58.436 tors. eta vs tors. theta energy: -125.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1258.896149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.896149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.896149 (E_RNA) where: Base-Base interactions energy: -825.701 where: short stacking energy: -373.789 Base-Backbone interact. energy: -1.877 local terms energy: -431.317783 where: bonds (distance) C4'-P energy: -76.548 bonds (distance) P-C4' energy: -83.637 flat angles C4'-P-C4' energy: -90.358 flat angles P-C4'-P energy: -61.630 tors. eta vs tors. theta energy: -119.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1244.789294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.789294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.789294 (E_RNA) where: Base-Base interactions energy: -849.496 where: short stacking energy: -346.141 Base-Backbone interact. energy: -2.670 local terms energy: -392.623331 where: bonds (distance) C4'-P energy: -80.922 bonds (distance) P-C4' energy: -78.797 flat angles C4'-P-C4' energy: -74.642 flat angles P-C4'-P energy: -50.370 tors. eta vs tors. theta energy: -107.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1141.188390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.188390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.188390 (E_RNA) where: Base-Base interactions energy: -772.746 where: short stacking energy: -354.042 Base-Backbone interact. energy: 1.142 local terms energy: -369.584082 where: bonds (distance) C4'-P energy: -67.519 bonds (distance) P-C4' energy: -72.239 flat angles C4'-P-C4' energy: -81.402 flat angles P-C4'-P energy: -46.123 tors. eta vs tors. theta energy: -102.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -964.477824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.477824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.477824 (E_RNA) where: Base-Base interactions energy: -623.847 where: short stacking energy: -298.090 Base-Backbone interact. energy: -0.590 local terms energy: -340.041070 where: bonds (distance) C4'-P energy: -68.624 bonds (distance) P-C4' energy: -78.209 flat angles C4'-P-C4' energy: -75.327 flat angles P-C4'-P energy: -47.445 tors. eta vs tors. theta energy: -70.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -850.796583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.796583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.796583 (E_RNA) where: Base-Base interactions energy: -537.715 where: short stacking energy: -261.340 Base-Backbone interact. energy: -0.562 local terms energy: -312.519079 where: bonds (distance) C4'-P energy: -56.444 bonds (distance) P-C4' energy: -67.810 flat angles C4'-P-C4' energy: -72.345 flat angles P-C4'-P energy: -49.145 tors. eta vs tors. theta energy: -66.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -778.772175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.772175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.772175 (E_RNA) where: Base-Base interactions energy: -483.599 where: short stacking energy: -245.631 Base-Backbone interact. energy: -1.469 local terms energy: -293.703828 where: bonds (distance) C4'-P energy: -54.455 bonds (distance) P-C4' energy: -69.946 flat angles C4'-P-C4' energy: -70.391 flat angles P-C4'-P energy: -50.952 tors. eta vs tors. theta energy: -47.959 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: 5 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -647.360169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.360169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.360169 (E_RNA) where: Base-Base interactions energy: -371.807 where: short stacking energy: -194.963 Base-Backbone interact. energy: 2.476 local terms energy: -278.028769 where: bonds (distance) C4'-P energy: -65.352 bonds (distance) P-C4' energy: -65.500 flat angles C4'-P-C4' energy: -64.100 flat angles P-C4'-P energy: -48.941 tors. eta vs tors. theta energy: -34.137 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: 3 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -496.786281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.786281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.786281 (E_RNA) where: Base-Base interactions energy: -256.360 where: short stacking energy: -142.636 Base-Backbone interact. energy: -2.341 local terms energy: -238.085299 where: bonds (distance) C4'-P energy: -47.188 bonds (distance) P-C4' energy: -68.065 flat angles C4'-P-C4' energy: -65.102 flat angles P-C4'-P energy: -41.421 tors. eta vs tors. theta energy: -16.310 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: 10, replica: 8 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -432.422043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.422043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.422043 (E_RNA) where: Base-Base interactions energy: -211.610 where: short stacking energy: -113.572 Base-Backbone interact. energy: 1.198 local terms energy: -222.009323 where: bonds (distance) C4'-P energy: -62.654 bonds (distance) P-C4' energy: -75.909 flat angles C4'-P-C4' energy: -51.540 flat angles P-C4'-P energy: -36.421 tors. eta vs tors. theta energy: 4.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1347.618373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.618373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.618373 (E_RNA) where: Base-Base interactions energy: -903.165 where: short stacking energy: -425.254 Base-Backbone interact. energy: -0.161 local terms energy: -444.292190 where: bonds (distance) C4'-P energy: -74.791 bonds (distance) P-C4' energy: -87.212 flat angles C4'-P-C4' energy: -89.389 flat angles P-C4'-P energy: -61.445 tors. eta vs tors. theta energy: -131.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1247.671873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.671873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.671873 (E_RNA) where: Base-Base interactions energy: -812.309 where: short stacking energy: -388.506 Base-Backbone interact. energy: -2.638 local terms energy: -432.724918 where: bonds (distance) C4'-P energy: -86.656 bonds (distance) P-C4' energy: -76.835 flat angles C4'-P-C4' energy: -85.241 flat angles P-C4'-P energy: -59.687 tors. eta vs tors. theta energy: -124.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1282.289142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.289142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.289142 (E_RNA) where: Base-Base interactions energy: -862.355 where: short stacking energy: -363.047 Base-Backbone interact. energy: -2.175 local terms energy: -417.758931 where: bonds (distance) C4'-P energy: -76.104 bonds (distance) P-C4' energy: -77.323 flat angles C4'-P-C4' energy: -86.841 flat angles P-C4'-P energy: -66.114 tors. eta vs tors. theta energy: -111.377 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: 2 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1130.159969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.159969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.159969 (E_RNA) where: Base-Base interactions energy: -742.552 where: short stacking energy: -327.254 Base-Backbone interact. energy: -1.887 local terms energy: -385.721222 where: bonds (distance) C4'-P energy: -75.351 bonds (distance) P-C4' energy: -79.157 flat angles C4'-P-C4' energy: -81.349 flat angles P-C4'-P energy: -55.494 tors. eta vs tors. theta energy: -94.369 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: 1 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -951.603378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.603378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.603378 (E_RNA) where: Base-Base interactions energy: -609.754 where: short stacking energy: -300.321 Base-Backbone interact. energy: -1.556 local terms energy: -340.293318 where: bonds (distance) C4'-P energy: -75.591 bonds (distance) P-C4' energy: -63.063 flat angles C4'-P-C4' energy: -75.286 flat angles P-C4'-P energy: -48.196 tors. eta vs tors. theta energy: -78.158 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: 6, replica: 4 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -844.549826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.549826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.549826 (E_RNA) where: Base-Base interactions energy: -516.592 where: short stacking energy: -236.326 Base-Backbone interact. energy: -1.744 local terms energy: -326.213503 where: bonds (distance) C4'-P energy: -76.365 bonds (distance) P-C4' energy: -75.459 flat angles C4'-P-C4' energy: -65.195 flat angles P-C4'-P energy: -43.254 tors. eta vs tors. theta energy: -65.940 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: 6 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -781.868386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.868386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.868386 (E_RNA) where: Base-Base interactions energy: -464.836 where: short stacking energy: -237.442 Base-Backbone interact. energy: -1.622 local terms energy: -315.410855 where: bonds (distance) C4'-P energy: -66.372 bonds (distance) P-C4' energy: -71.679 flat angles C4'-P-C4' energy: -80.430 flat angles P-C4'-P energy: -43.030 tors. eta vs tors. theta energy: -53.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -651.204283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.204283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.204283 (E_RNA) where: Base-Base interactions energy: -363.642 where: short stacking energy: -181.889 Base-Backbone interact. energy: -1.009 local terms energy: -286.552515 where: bonds (distance) C4'-P energy: -58.061 bonds (distance) P-C4' energy: -73.936 flat angles C4'-P-C4' energy: -67.662 flat angles P-C4'-P energy: -51.957 tors. eta vs tors. theta energy: -34.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -519.455557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.455557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.455557 (E_RNA) where: Base-Base interactions energy: -255.296 where: short stacking energy: -140.438 Base-Backbone interact. energy: 0.123 local terms energy: -264.282514 where: bonds (distance) C4'-P energy: -57.714 bonds (distance) P-C4' energy: -85.969 flat angles C4'-P-C4' energy: -61.412 flat angles P-C4'-P energy: -40.129 tors. eta vs tors. theta energy: -19.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -466.782010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.782010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.782010 (E_RNA) where: Base-Base interactions energy: -216.231 where: short stacking energy: -129.391 Base-Backbone interact. energy: -0.041 local terms energy: -250.510080 where: bonds (distance) C4'-P energy: -67.319 bonds (distance) P-C4' energy: -71.246 flat angles C4'-P-C4' energy: -60.914 flat angles P-C4'-P energy: -41.914 tors. eta vs tors. theta energy: -9.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1370.081596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.081596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.081596 (E_RNA) where: Base-Base interactions energy: -925.512 where: short stacking energy: -434.274 Base-Backbone interact. energy: -0.405 local terms energy: -444.164566 where: bonds (distance) C4'-P energy: -86.197 bonds (distance) P-C4' energy: -79.430 flat angles C4'-P-C4' energy: -95.828 flat angles P-C4'-P energy: -55.183 tors. eta vs tors. theta energy: -127.527 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: 2, replica: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1276.442227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.442227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.442227 (E_RNA) where: Base-Base interactions energy: -867.030 where: short stacking energy: -382.621 Base-Backbone interact. energy: -3.261 local terms energy: -406.150615 where: bonds (distance) C4'-P energy: -79.893 bonds (distance) P-C4' energy: -69.636 flat angles C4'-P-C4' energy: -93.149 flat angles P-C4'-P energy: -49.476 tors. eta vs tors. theta energy: -113.997 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: 297 Temperature: 1.000000 Total energy: -1221.033597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.033597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.033597 (E_RNA) where: Base-Base interactions energy: -798.292 where: short stacking energy: -393.893 Base-Backbone interact. energy: -1.593 local terms energy: -421.148803 where: bonds (distance) C4'-P energy: -69.704 bonds (distance) P-C4' energy: -83.687 flat angles C4'-P-C4' energy: -88.507 flat angles P-C4'-P energy: -60.350 tors. eta vs tors. theta energy: -118.900 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: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1130.026551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.026551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.026551 (E_RNA) where: Base-Base interactions energy: -745.357 where: short stacking energy: -319.932 Base-Backbone interact. energy: -1.983 local terms energy: -382.686390 where: bonds (distance) C4'-P energy: -77.815 bonds (distance) P-C4' energy: -72.473 flat angles C4'-P-C4' energy: -85.037 flat angles P-C4'-P energy: -51.851 tors. eta vs tors. theta energy: -95.510 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: 297 Temperature: 1.100000 Total energy: -922.343645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.343645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.343645 (E_RNA) where: Base-Base interactions energy: -589.978 where: short stacking energy: -255.924 Base-Backbone interact. energy: -1.298 local terms energy: -331.067865 where: bonds (distance) C4'-P energy: -63.535 bonds (distance) P-C4' energy: -73.625 flat angles C4'-P-C4' energy: -76.070 flat angles P-C4'-P energy: -54.948 tors. eta vs tors. theta energy: -62.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -851.963434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.963434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.963434 (E_RNA) where: Base-Base interactions energy: -526.427 where: short stacking energy: -252.250 Base-Backbone interact. energy: -0.259 local terms energy: -325.277093 where: bonds (distance) C4'-P energy: -71.703 bonds (distance) P-C4' energy: -59.651 flat angles C4'-P-C4' energy: -76.650 flat angles P-C4'-P energy: -53.543 tors. eta vs tors. theta energy: -63.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -769.790099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.790099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.790099 (E_RNA) where: Base-Base interactions energy: -469.082 where: short stacking energy: -234.574 Base-Backbone interact. energy: 3.700 local terms energy: -304.407688 where: bonds (distance) C4'-P energy: -67.012 bonds (distance) P-C4' energy: -63.268 flat angles C4'-P-C4' energy: -77.580 flat angles P-C4'-P energy: -44.691 tors. eta vs tors. theta energy: -51.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -621.014517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.014517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.014517 (E_RNA) where: Base-Base interactions energy: -358.252 where: short stacking energy: -186.665 Base-Backbone interact. energy: 3.412 local terms energy: -266.175120 where: bonds (distance) C4'-P energy: -67.245 bonds (distance) P-C4' energy: -58.645 flat angles C4'-P-C4' energy: -70.615 flat angles P-C4'-P energy: -36.654 tors. eta vs tors. theta energy: -33.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -526.303186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.303186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.303186 (E_RNA) where: Base-Base interactions energy: -259.240 where: short stacking energy: -136.695 Base-Backbone interact. energy: -0.733 local terms energy: -266.330101 where: bonds (distance) C4'-P energy: -78.393 bonds (distance) P-C4' energy: -76.425 flat angles C4'-P-C4' energy: -48.232 flat angles P-C4'-P energy: -46.761 tors. eta vs tors. theta energy: -16.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -481.029725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.029725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.029725 (E_RNA) where: Base-Base interactions energy: -225.921 where: short stacking energy: -120.803 Base-Backbone interact. energy: -1.165 local terms energy: -253.943710 where: bonds (distance) C4'-P energy: -72.967 bonds (distance) P-C4' energy: -56.135 flat angles C4'-P-C4' energy: -65.660 flat angles P-C4'-P energy: -48.728 tors. eta vs tors. theta energy: -10.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1367.397671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.397671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.397671 (E_RNA) where: Base-Base interactions energy: -929.464 where: short stacking energy: -427.995 Base-Backbone interact. energy: 0.826 local terms energy: -438.759132 where: bonds (distance) C4'-P energy: -82.035 bonds (distance) P-C4' energy: -79.804 flat angles C4'-P-C4' energy: -89.051 flat angles P-C4'-P energy: -56.752 tors. eta vs tors. theta energy: -131.117 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: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1277.711042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.711042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.711042 (E_RNA) where: Base-Base interactions energy: -850.166 where: short stacking energy: -359.677 Base-Backbone interact. energy: -1.577 local terms energy: -425.968301 where: bonds (distance) C4'-P energy: -76.483 bonds (distance) P-C4' energy: -83.478 flat angles C4'-P-C4' energy: -84.066 flat angles P-C4'-P energy: -69.295 tors. eta vs tors. theta energy: -112.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1205.387555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.387555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.387555 (E_RNA) where: Base-Base interactions energy: -794.959 where: short stacking energy: -359.249 Base-Backbone interact. energy: -0.869 local terms energy: -409.559572 where: bonds (distance) C4'-P energy: -76.778 bonds (distance) P-C4' energy: -74.416 flat angles C4'-P-C4' energy: -87.524 flat angles P-C4'-P energy: -64.045 tors. eta vs tors. theta energy: -106.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1117.475593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.475593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.475593 (E_RNA) where: Base-Base interactions energy: -730.973 where: short stacking energy: -333.735 Base-Backbone interact. energy: -2.224 local terms energy: -384.278225 where: bonds (distance) C4'-P energy: -70.285 bonds (distance) P-C4' energy: -83.014 flat angles C4'-P-C4' energy: -85.428 flat angles P-C4'-P energy: -49.857 tors. eta vs tors. theta energy: -95.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -922.924746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.924746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.924746 (E_RNA) where: Base-Base interactions energy: -588.703 where: short stacking energy: -267.703 Base-Backbone interact. energy: -0.096 local terms energy: -334.125621 where: bonds (distance) C4'-P energy: -79.386 bonds (distance) P-C4' energy: -71.615 flat angles C4'-P-C4' energy: -81.529 flat angles P-C4'-P energy: -37.702 tors. eta vs tors. theta energy: -63.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -852.230516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.230516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.230516 (E_RNA) where: Base-Base interactions energy: -522.592 where: short stacking energy: -246.755 Base-Backbone interact. energy: 2.690 local terms energy: -332.328484 where: bonds (distance) C4'-P energy: -65.470 bonds (distance) P-C4' energy: -77.117 flat angles C4'-P-C4' energy: -74.296 flat angles P-C4'-P energy: -48.294 tors. eta vs tors. theta energy: -67.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -760.721361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.721361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.721361 (E_RNA) where: Base-Base interactions energy: -459.150 where: short stacking energy: -235.534 Base-Backbone interact. energy: -1.029 local terms energy: -300.542826 where: bonds (distance) C4'-P energy: -70.725 bonds (distance) P-C4' energy: -70.704 flat angles C4'-P-C4' energy: -70.903 flat angles P-C4'-P energy: -45.663 tors. eta vs tors. theta energy: -42.547 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: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -605.481469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.481469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.481469 (E_RNA) where: Base-Base interactions energy: -330.858 where: short stacking energy: -181.269 Base-Backbone interact. energy: 1.874 local terms energy: -276.497498 where: bonds (distance) C4'-P energy: -72.950 bonds (distance) P-C4' energy: -70.254 flat angles C4'-P-C4' energy: -70.865 flat angles P-C4'-P energy: -33.999 tors. eta vs tors. theta energy: -28.430 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: 3 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -527.791773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.791773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.791773 (E_RNA) where: Base-Base interactions energy: -275.327 where: short stacking energy: -171.817 Base-Backbone interact. energy: -1.056 local terms energy: -251.408522 where: bonds (distance) C4'-P energy: -74.431 bonds (distance) P-C4' energy: -68.206 flat angles C4'-P-C4' energy: -68.416 flat angles P-C4'-P energy: -29.381 tors. eta vs tors. theta energy: -10.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -492.204105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.204105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.204105 (E_RNA) where: Base-Base interactions energy: -252.997 where: short stacking energy: -151.252 Base-Backbone interact. energy: 2.097 local terms energy: -241.304252 where: bonds (distance) C4'-P energy: -52.829 bonds (distance) P-C4' energy: -79.668 flat angles C4'-P-C4' energy: -61.414 flat angles P-C4'-P energy: -37.444 tors. eta vs tors. theta energy: -9.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1376.411658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.411658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.411658 (E_RNA) where: Base-Base interactions energy: -953.005 where: short stacking energy: -418.684 Base-Backbone interact. energy: -0.498 local terms energy: -422.908494 where: bonds (distance) C4'-P energy: -73.109 bonds (distance) P-C4' energy: -77.217 flat angles C4'-P-C4' energy: -92.251 flat angles P-C4'-P energy: -55.499 tors. eta vs tors. theta energy: -124.832 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: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1289.928877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.928877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.928877 (E_RNA) where: Base-Base interactions energy: -859.656 where: short stacking energy: -369.639 Base-Backbone interact. energy: -2.702 local terms energy: -427.570939 where: bonds (distance) C4'-P energy: -83.673 bonds (distance) P-C4' energy: -76.119 flat angles C4'-P-C4' energy: -91.728 flat angles P-C4'-P energy: -60.465 tors. eta vs tors. theta energy: -115.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1196.282813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.282813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.282813 (E_RNA) where: Base-Base interactions energy: -795.164 where: short stacking energy: -376.501 Base-Backbone interact. energy: -1.967 local terms energy: -399.151915 where: bonds (distance) C4'-P energy: -71.616 bonds (distance) P-C4' energy: -72.110 flat angles C4'-P-C4' energy: -91.173 flat angles P-C4'-P energy: -62.612 tors. eta vs tors. theta energy: -101.641 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: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1097.770854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.770854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.770854 (E_RNA) where: Base-Base interactions energy: -736.697 where: short stacking energy: -307.273 Base-Backbone interact. energy: 1.525 local terms energy: -362.598882 where: bonds (distance) C4'-P energy: -70.782 bonds (distance) P-C4' energy: -71.959 flat angles C4'-P-C4' energy: -80.245 flat angles P-C4'-P energy: -52.884 tors. eta vs tors. theta energy: -86.730 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: 1 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -918.900155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.900155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.900155 (E_RNA) where: Base-Base interactions energy: -557.760 where: short stacking energy: -270.194 Base-Backbone interact. energy: -1.034 local terms energy: -360.105979 where: bonds (distance) C4'-P energy: -72.564 bonds (distance) P-C4' energy: -85.331 flat angles C4'-P-C4' energy: -82.722 flat angles P-C4'-P energy: -52.032 tors. eta vs tors. theta energy: -67.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -848.540015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.540015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.540015 (E_RNA) where: Base-Base interactions energy: -541.908 where: short stacking energy: -258.398 Base-Backbone interact. energy: 0.231 local terms energy: -306.863079 where: bonds (distance) C4'-P energy: -64.912 bonds (distance) P-C4' energy: -50.187 flat angles C4'-P-C4' energy: -73.829 flat angles P-C4'-P energy: -49.335 tors. eta vs tors. theta energy: -68.600 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: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -765.257148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.257148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.257148 (E_RNA) where: Base-Base interactions energy: -451.477 where: short stacking energy: -225.134 Base-Backbone interact. energy: 0.425 local terms energy: -314.205542 where: bonds (distance) C4'-P energy: -70.459 bonds (distance) P-C4' energy: -68.274 flat angles C4'-P-C4' energy: -60.642 flat angles P-C4'-P energy: -47.974 tors. eta vs tors. theta energy: -66.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -678.312153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.312153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.312153 (E_RNA) where: Base-Base interactions energy: -398.847 where: short stacking energy: -200.806 Base-Backbone interact. energy: -1.375 local terms energy: -278.090185 where: bonds (distance) C4'-P energy: -70.017 bonds (distance) P-C4' energy: -70.554 flat angles C4'-P-C4' energy: -71.482 flat angles P-C4'-P energy: -31.893 tors. eta vs tors. theta energy: -34.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -544.488656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.488656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.488656 (E_RNA) where: Base-Base interactions energy: -315.488 where: short stacking energy: -172.356 Base-Backbone interact. energy: 0.530 local terms energy: -229.529831 where: bonds (distance) C4'-P energy: -61.473 bonds (distance) P-C4' energy: -63.640 flat angles C4'-P-C4' energy: -53.929 flat angles P-C4'-P energy: -34.084 tors. eta vs tors. theta energy: -16.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -463.172197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.172197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.172197 (E_RNA) where: Base-Base interactions energy: -218.550 where: short stacking energy: -114.736 Base-Backbone interact. energy: -2.005 local terms energy: -242.617181 where: bonds (distance) C4'-P energy: -67.010 bonds (distance) P-C4' energy: -82.575 flat angles C4'-P-C4' energy: -69.885 flat angles P-C4'-P energy: -23.346 tors. eta vs tors. theta energy: 0.199 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: 1, replica: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1361.020039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.020039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.020039 (E_RNA) where: Base-Base interactions energy: -923.553 where: short stacking energy: -428.650 Base-Backbone interact. energy: -0.962 local terms energy: -436.505105 where: bonds (distance) C4'-P energy: -69.080 bonds (distance) P-C4' energy: -78.756 flat angles C4'-P-C4' energy: -96.494 flat angles P-C4'-P energy: -61.760 tors. eta vs tors. theta energy: -130.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1285.243923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.243923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.243923 (E_RNA) where: Base-Base interactions energy: -882.069 where: short stacking energy: -370.736 Base-Backbone interact. energy: -1.185 local terms energy: -401.989247 where: bonds (distance) C4'-P energy: -77.607 bonds (distance) P-C4' energy: -73.308 flat angles C4'-P-C4' energy: -81.921 flat angles P-C4'-P energy: -53.202 tors. eta vs tors. theta energy: -115.952 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: 9 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1211.829524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.829524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.829524 (E_RNA) where: Base-Base interactions energy: -799.970 where: short stacking energy: -364.417 Base-Backbone interact. energy: -1.186 local terms energy: -410.673726 where: bonds (distance) C4'-P energy: -85.748 bonds (distance) P-C4' energy: -79.480 flat angles C4'-P-C4' energy: -83.753 flat angles P-C4'-P energy: -55.290 tors. eta vs tors. theta energy: -106.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1099.938298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.938298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.938298 (E_RNA) where: Base-Base interactions energy: -736.708 where: short stacking energy: -328.974 Base-Backbone interact. energy: -1.268 local terms energy: -361.962031 where: bonds (distance) C4'-P energy: -71.426 bonds (distance) P-C4' energy: -74.195 flat angles C4'-P-C4' energy: -76.068 flat angles P-C4'-P energy: -53.878 tors. eta vs tors. theta energy: -86.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -986.068737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.068737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.068737 (E_RNA) where: Base-Base interactions energy: -625.522 where: short stacking energy: -283.291 Base-Backbone interact. energy: -1.850 local terms energy: -358.697449 where: bonds (distance) C4'-P energy: -84.895 bonds (distance) P-C4' energy: -69.757 flat angles C4'-P-C4' energy: -75.873 flat angles P-C4'-P energy: -52.681 tors. eta vs tors. theta energy: -75.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -878.170985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.170985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.170985 (E_RNA) where: Base-Base interactions energy: -552.757 where: short stacking energy: -254.797 Base-Backbone interact. energy: -1.220 local terms energy: -324.194514 where: bonds (distance) C4'-P energy: -69.908 bonds (distance) P-C4' energy: -77.488 flat angles C4'-P-C4' energy: -61.994 flat angles P-C4'-P energy: -52.338 tors. eta vs tors. theta energy: -62.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -734.071550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.071550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.071550 (E_RNA) where: Base-Base interactions energy: -437.413 where: short stacking energy: -217.119 Base-Backbone interact. energy: -0.781 local terms energy: -295.877104 where: bonds (distance) C4'-P energy: -58.694 bonds (distance) P-C4' energy: -71.580 flat angles C4'-P-C4' energy: -75.005 flat angles P-C4'-P energy: -45.783 tors. eta vs tors. theta energy: -44.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -654.716294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.716294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.716294 (E_RNA) where: Base-Base interactions energy: -367.791 where: short stacking energy: -184.763 Base-Backbone interact. energy: -1.697 local terms energy: -285.228268 where: bonds (distance) C4'-P energy: -64.788 bonds (distance) P-C4' energy: -75.697 flat angles C4'-P-C4' energy: -58.938 flat angles P-C4'-P energy: -46.051 tors. eta vs tors. theta energy: -39.754 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: 3 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -516.196388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.196388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.196388 (E_RNA) where: Base-Base interactions energy: -264.720 where: short stacking energy: -143.284 Base-Backbone interact. energy: -1.548 local terms energy: -249.928808 where: bonds (distance) C4'-P energy: -55.100 bonds (distance) P-C4' energy: -66.943 flat angles C4'-P-C4' energy: -53.937 flat angles P-C4'-P energy: -48.045 tors. eta vs tors. theta energy: -25.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -441.186818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.186818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.186818 (E_RNA) where: Base-Base interactions energy: -216.002 where: short stacking energy: -132.292 Base-Backbone interact. energy: 2.891 local terms energy: -228.075828 where: bonds (distance) C4'-P energy: -60.140 bonds (distance) P-C4' energy: -68.433 flat angles C4'-P-C4' energy: -56.673 flat angles P-C4'-P energy: -45.277 tors. eta vs tors. theta energy: 2.447 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: 1, replica: 10 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1368.768534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.768534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.768534 (E_RNA) where: Base-Base interactions energy: -930.584 where: short stacking energy: -430.406 Base-Backbone interact. energy: -0.391 local terms energy: -437.793620 where: bonds (distance) C4'-P energy: -77.868 bonds (distance) P-C4' energy: -78.547 flat angles C4'-P-C4' energy: -92.400 flat angles P-C4'-P energy: -66.755 tors. eta vs tors. theta energy: -122.223 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: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1291.105004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.105004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.105004 (E_RNA) where: Base-Base interactions energy: -872.232 where: short stacking energy: -376.855 Base-Backbone interact. energy: -1.661 local terms energy: -417.212487 where: bonds (distance) C4'-P energy: -79.377 bonds (distance) P-C4' energy: -82.901 flat angles C4'-P-C4' energy: -89.688 flat angles P-C4'-P energy: -57.525 tors. eta vs tors. theta energy: -107.722 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: 9 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1175.361633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.361633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.361633 (E_RNA) where: Base-Base interactions energy: -780.034 where: short stacking energy: -370.374 Base-Backbone interact. energy: -0.657 local terms energy: -394.670058 where: bonds (distance) C4'-P energy: -72.203 bonds (distance) P-C4' energy: -74.109 flat angles C4'-P-C4' energy: -89.127 flat angles P-C4'-P energy: -49.178 tors. eta vs tors. theta energy: -110.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1134.355974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.355974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.355974 (E_RNA) where: Base-Base interactions energy: -750.075 where: short stacking energy: -334.534 Base-Backbone interact. energy: -1.841 local terms energy: -382.439561 where: bonds (distance) C4'-P energy: -71.742 bonds (distance) P-C4' energy: -73.718 flat angles C4'-P-C4' energy: -89.317 flat angles P-C4'-P energy: -55.108 tors. eta vs tors. theta energy: -92.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -949.212560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.212560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.212560 (E_RNA) where: Base-Base interactions energy: -596.515 where: short stacking energy: -280.233 Base-Backbone interact. energy: -0.578 local terms energy: -352.119648 where: bonds (distance) C4'-P energy: -68.956 bonds (distance) P-C4' energy: -73.498 flat angles C4'-P-C4' energy: -80.396 flat angles P-C4'-P energy: -52.226 tors. eta vs tors. theta energy: -77.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -816.441218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.441218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.441218 (E_RNA) where: Base-Base interactions energy: -492.772 where: short stacking energy: -226.106 Base-Backbone interact. energy: 1.298 local terms energy: -324.967479 where: bonds (distance) C4'-P energy: -81.164 bonds (distance) P-C4' energy: -70.522 flat angles C4'-P-C4' energy: -70.027 flat angles P-C4'-P energy: -54.095 tors. eta vs tors. theta energy: -49.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -734.832283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.832283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.832283 (E_RNA) where: Base-Base interactions energy: -449.277 where: short stacking energy: -245.665 Base-Backbone interact. energy: -0.862 local terms energy: -284.693891 where: bonds (distance) C4'-P energy: -66.294 bonds (distance) P-C4' energy: -65.117 flat angles C4'-P-C4' energy: -63.088 flat angles P-C4'-P energy: -44.980 tors. eta vs tors. theta energy: -45.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -655.181218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.181218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.181218 (E_RNA) where: Base-Base interactions energy: -399.784 where: short stacking energy: -199.861 Base-Backbone interact. energy: 3.895 local terms energy: -259.291376 where: bonds (distance) C4'-P energy: -49.490 bonds (distance) P-C4' energy: -68.585 flat angles C4'-P-C4' energy: -72.872 flat angles P-C4'-P energy: -43.150 tors. eta vs tors. theta energy: -25.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -540.406633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.406633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.406633 (E_RNA) where: Base-Base interactions energy: -271.180 where: short stacking energy: -153.081 Base-Backbone interact. energy: -1.306 local terms energy: -267.920725 where: bonds (distance) C4'-P energy: -58.363 bonds (distance) P-C4' energy: -71.865 flat angles C4'-P-C4' energy: -73.176 flat angles P-C4'-P energy: -44.760 tors. eta vs tors. theta energy: -19.756 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: 8 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -449.917553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.917553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.917553 (E_RNA) where: Base-Base interactions energy: -232.304 where: short stacking energy: -134.491 Base-Backbone interact. energy: 0.311 local terms energy: -217.925045 where: bonds (distance) C4'-P energy: -65.363 bonds (distance) P-C4' energy: -55.116 flat angles C4'-P-C4' energy: -49.460 flat angles P-C4'-P energy: -42.719 tors. eta vs tors. theta energy: -5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1376.669104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.669104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.669104 (E_RNA) where: Base-Base interactions energy: -917.141 where: short stacking energy: -410.680 Base-Backbone interact. energy: -1.179 local terms energy: -458.349009 where: bonds (distance) C4'-P energy: -83.787 bonds (distance) P-C4' energy: -88.744 flat angles C4'-P-C4' energy: -91.999 flat angles P-C4'-P energy: -68.585 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: 2, replica: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1303.889962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.889962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.889962 (E_RNA) where: Base-Base interactions energy: -897.496 where: short stacking energy: -385.104 Base-Backbone interact. energy: -0.971 local terms energy: -405.422260 where: bonds (distance) C4'-P energy: -72.805 bonds (distance) P-C4' energy: -71.634 flat angles C4'-P-C4' energy: -91.510 flat angles P-C4'-P energy: -63.699 tors. eta vs tors. theta energy: -105.774 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: 302 Temperature: 1.000000 Total energy: -1214.180195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.180195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.180195 (E_RNA) where: Base-Base interactions energy: -819.299 where: short stacking energy: -377.054 Base-Backbone interact. energy: -4.099 local terms energy: -390.782434 where: bonds (distance) C4'-P energy: -70.358 bonds (distance) P-C4' energy: -76.968 flat angles C4'-P-C4' energy: -79.232 flat angles P-C4'-P energy: -57.492 tors. eta vs tors. theta energy: -106.731 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: 302 Temperature: 1.050000 Total energy: -1137.484341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.484341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.484341 (E_RNA) where: Base-Base interactions energy: -756.090 where: short stacking energy: -348.394 Base-Backbone interact. energy: -2.084 local terms energy: -379.309468 where: bonds (distance) C4'-P energy: -78.999 bonds (distance) P-C4' energy: -69.469 flat angles C4'-P-C4' energy: -70.461 flat angles P-C4'-P energy: -64.197 tors. eta vs tors. theta energy: -96.183 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: 302 Temperature: 1.100000 Total energy: -942.605403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.605403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.605403 (E_RNA) where: Base-Base interactions energy: -601.266 where: short stacking energy: -272.467 Base-Backbone interact. energy: 0.240 local terms energy: -341.579776 where: bonds (distance) C4'-P energy: -67.220 bonds (distance) P-C4' energy: -84.083 flat angles C4'-P-C4' energy: -76.314 flat angles P-C4'-P energy: -52.231 tors. eta vs tors. theta energy: -61.733 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: 4 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -863.250714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.250714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.250714 (E_RNA) where: Base-Base interactions energy: -544.275 where: short stacking energy: -265.274 Base-Backbone interact. energy: 0.150 local terms energy: -319.125824 where: bonds (distance) C4'-P energy: -74.974 bonds (distance) P-C4' energy: -68.078 flat angles C4'-P-C4' energy: -69.578 flat angles P-C4'-P energy: -39.666 tors. eta vs tors. theta energy: -66.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -644.305410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.305410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.305410 (E_RNA) where: Base-Base interactions energy: -363.010 where: short stacking energy: -197.944 Base-Backbone interact. energy: -0.855 local terms energy: -280.440331 where: bonds (distance) C4'-P energy: -60.436 bonds (distance) P-C4' energy: -71.247 flat angles C4'-P-C4' energy: -60.414 flat angles P-C4'-P energy: -53.040 tors. eta vs tors. theta energy: -35.303 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: 8, replica: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -739.042071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.042071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.042071 (E_RNA) where: Base-Base interactions energy: -454.937 where: short stacking energy: -242.245 Base-Backbone interact. energy: -0.716 local terms energy: -283.388144 where: bonds (distance) C4'-P energy: -71.234 bonds (distance) P-C4' energy: -68.974 flat angles C4'-P-C4' energy: -63.395 flat angles P-C4'-P energy: -25.274 tors. eta vs tors. theta energy: -54.512 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: 8 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -498.991094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.991094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.991094 (E_RNA) where: Base-Base interactions energy: -253.052 where: short stacking energy: -144.128 Base-Backbone interact. energy: -1.757 local terms energy: -244.182127 where: bonds (distance) C4'-P energy: -68.725 bonds (distance) P-C4' energy: -69.222 flat angles C4'-P-C4' energy: -72.127 flat angles P-C4'-P energy: -38.218 tors. eta vs tors. theta energy: 4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -518.139756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.139756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.139756 (E_RNA) where: Base-Base interactions energy: -290.043 where: short stacking energy: -153.610 Base-Backbone interact. energy: 4.446 local terms energy: -232.542963 where: bonds (distance) C4'-P energy: -60.835 bonds (distance) P-C4' energy: -60.395 flat angles C4'-P-C4' energy: -67.257 flat angles P-C4'-P energy: -31.658 tors. eta vs tors. theta energy: -12.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1378.278510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.278510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.278510 (E_RNA) where: Base-Base interactions energy: -933.521 where: short stacking energy: -422.343 Base-Backbone interact. energy: -0.721 local terms energy: -444.036566 where: bonds (distance) C4'-P energy: -87.606 bonds (distance) P-C4' energy: -82.289 flat angles C4'-P-C4' energy: -92.340 flat angles P-C4'-P energy: -56.872 tors. eta vs tors. theta energy: -124.929 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: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1298.751408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.751408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.751408 (E_RNA) where: Base-Base interactions energy: -875.011 where: short stacking energy: -371.589 Base-Backbone interact. energy: -1.390 local terms energy: -422.350362 where: bonds (distance) C4'-P energy: -75.977 bonds (distance) P-C4' energy: -78.151 flat angles C4'-P-C4' energy: -88.737 flat angles P-C4'-P energy: -64.115 tors. eta vs tors. theta energy: -115.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1190.278570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.278570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.278570 (E_RNA) where: Base-Base interactions energy: -803.125 where: short stacking energy: -368.007 Base-Backbone interact. energy: -1.557 local terms energy: -385.595641 where: bonds (distance) C4'-P energy: -59.612 bonds (distance) P-C4' energy: -69.213 flat angles C4'-P-C4' energy: -84.583 flat angles P-C4'-P energy: -56.252 tors. eta vs tors. theta energy: -115.935 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: 2 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1111.894599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.894599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.894599 (E_RNA) where: Base-Base interactions energy: -739.466 where: short stacking energy: -330.092 Base-Backbone interact. energy: 1.141 local terms energy: -373.569750 where: bonds (distance) C4'-P energy: -76.715 bonds (distance) P-C4' energy: -68.378 flat angles C4'-P-C4' energy: -82.462 flat angles P-C4'-P energy: -50.651 tors. eta vs tors. theta energy: -95.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -930.231771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.231771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.231771 (E_RNA) where: Base-Base interactions energy: -601.005 where: short stacking energy: -288.413 Base-Backbone interact. energy: -0.481 local terms energy: -328.746205 where: bonds (distance) C4'-P energy: -66.930 bonds (distance) P-C4' energy: -68.726 flat angles C4'-P-C4' energy: -80.113 flat angles P-C4'-P energy: -48.978 tors. eta vs tors. theta energy: -64.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -839.467878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.467878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.467878 (E_RNA) where: Base-Base interactions energy: -520.947 where: short stacking energy: -263.835 Base-Backbone interact. energy: 1.166 local terms energy: -319.686903 where: bonds (distance) C4'-P energy: -62.471 bonds (distance) P-C4' energy: -62.032 flat angles C4'-P-C4' energy: -85.008 flat angles P-C4'-P energy: -53.093 tors. eta vs tors. theta energy: -57.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -660.762070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.762070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.762070 (E_RNA) where: Base-Base interactions energy: -365.830 where: short stacking energy: -191.880 Base-Backbone interact. energy: -1.230 local terms energy: -293.702481 where: bonds (distance) C4'-P energy: -69.640 bonds (distance) P-C4' energy: -79.973 flat angles C4'-P-C4' energy: -75.607 flat angles P-C4'-P energy: -46.973 tors. eta vs tors. theta energy: -21.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -715.025440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.025440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.025440 (E_RNA) where: Base-Base interactions energy: -415.138 where: short stacking energy: -208.552 Base-Backbone interact. energy: -0.370 local terms energy: -299.516569 where: bonds (distance) C4'-P energy: -73.553 bonds (distance) P-C4' energy: -65.859 flat angles C4'-P-C4' energy: -73.121 flat angles P-C4'-P energy: -53.964 tors. eta vs tors. theta energy: -33.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -498.028101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.028101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.028101 (E_RNA) where: Base-Base interactions energy: -261.257 where: short stacking energy: -142.535 Base-Backbone interact. energy: 0.134 local terms energy: -236.905112 where: bonds (distance) C4'-P energy: -72.325 bonds (distance) P-C4' energy: -71.993 flat angles C4'-P-C4' energy: -47.176 flat angles P-C4'-P energy: -44.785 tors. eta vs tors. theta energy: -0.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -518.106303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.106303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.106303 (E_RNA) where: Base-Base interactions energy: -264.899 where: short stacking energy: -163.149 Base-Backbone interact. energy: 1.284 local terms energy: -254.490486 where: bonds (distance) C4'-P energy: -65.154 bonds (distance) P-C4' energy: -68.455 flat angles C4'-P-C4' energy: -66.825 flat angles P-C4'-P energy: -28.461 tors. eta vs tors. theta energy: -25.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1369.969134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.969134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.969134 (E_RNA) where: Base-Base interactions energy: -922.920 where: short stacking energy: -415.625 Base-Backbone interact. energy: 0.392 local terms energy: -447.441274 where: bonds (distance) C4'-P energy: -83.520 bonds (distance) P-C4' energy: -79.828 flat angles C4'-P-C4' energy: -93.601 flat angles P-C4'-P energy: -62.427 tors. eta vs tors. theta energy: -128.065 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: 2, replica: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1293.094798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.094798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.094798 (E_RNA) where: Base-Base interactions energy: -901.320 where: short stacking energy: -354.169 Base-Backbone interact. energy: 1.983 local terms energy: -393.757403 where: bonds (distance) C4'-P energy: -86.954 bonds (distance) P-C4' energy: -82.013 flat angles C4'-P-C4' energy: -79.866 flat angles P-C4'-P energy: -49.626 tors. eta vs tors. theta energy: -95.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1191.561010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.561010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.561010 (E_RNA) where: Base-Base interactions energy: -792.272 where: short stacking energy: -358.709 Base-Backbone interact. energy: -1.120 local terms energy: -398.168839 where: bonds (distance) C4'-P energy: -67.380 bonds (distance) P-C4' energy: -76.422 flat angles C4'-P-C4' energy: -83.955 flat angles P-C4'-P energy: -61.209 tors. eta vs tors. theta energy: -109.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1084.019061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.019061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.019061 (E_RNA) where: Base-Base interactions energy: -716.076 where: short stacking energy: -314.382 Base-Backbone interact. energy: -1.672 local terms energy: -366.271016 where: bonds (distance) C4'-P energy: -69.919 bonds (distance) P-C4' energy: -81.682 flat angles C4'-P-C4' energy: -75.931 flat angles P-C4'-P energy: -53.242 tors. eta vs tors. theta energy: -85.497 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: 1 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -939.898517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.898517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.898517 (E_RNA) where: Base-Base interactions energy: -607.877 where: short stacking energy: -298.295 Base-Backbone interact. energy: -0.672 local terms energy: -331.349166 where: bonds (distance) C4'-P energy: -55.628 bonds (distance) P-C4' energy: -79.969 flat angles C4'-P-C4' energy: -73.410 flat angles P-C4'-P energy: -47.820 tors. eta vs tors. theta energy: -74.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -822.080058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.080058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.080058 (E_RNA) where: Base-Base interactions energy: -515.880 where: short stacking energy: -242.454 Base-Backbone interact. energy: -3.046 local terms energy: -303.154079 where: bonds (distance) C4'-P energy: -73.785 bonds (distance) P-C4' energy: -74.705 flat angles C4'-P-C4' energy: -60.426 flat angles P-C4'-P energy: -36.138 tors. eta vs tors. theta energy: -58.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -762.222362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.222362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.222362 (E_RNA) where: Base-Base interactions energy: -452.218 where: short stacking energy: -235.969 Base-Backbone interact. energy: -0.996 local terms energy: -309.007615 where: bonds (distance) C4'-P energy: -74.362 bonds (distance) P-C4' energy: -58.533 flat angles C4'-P-C4' energy: -72.840 flat angles P-C4'-P energy: -51.190 tors. eta vs tors. theta energy: -52.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -672.557124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.557124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.557124 (E_RNA) where: Base-Base interactions energy: -407.480 where: short stacking energy: -219.376 Base-Backbone interact. energy: 0.508 local terms energy: -265.585520 where: bonds (distance) C4'-P energy: -64.685 bonds (distance) P-C4' energy: -59.824 flat angles C4'-P-C4' energy: -62.056 flat angles P-C4'-P energy: -39.277 tors. eta vs tors. theta energy: -39.744 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: 8 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -502.638227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.638227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.638227 (E_RNA) where: Base-Base interactions energy: -265.600 where: short stacking energy: -157.430 Base-Backbone interact. energy: -0.203 local terms energy: -236.835432 where: bonds (distance) C4'-P energy: -69.307 bonds (distance) P-C4' energy: -71.438 flat angles C4'-P-C4' energy: -62.733 flat angles P-C4'-P energy: -15.302 tors. eta vs tors. theta energy: -18.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -484.480586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.480586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.480586 (E_RNA) where: Base-Base interactions energy: -257.848 where: short stacking energy: -144.997 Base-Backbone interact. energy: -0.914 local terms energy: -225.718235 where: bonds (distance) C4'-P energy: -58.249 bonds (distance) P-C4' energy: -61.926 flat angles C4'-P-C4' energy: -57.162 flat angles P-C4'-P energy: -26.180 tors. eta vs tors. theta energy: -22.201 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: 10 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1358.991376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.991376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.991376 (E_RNA) where: Base-Base interactions energy: -916.364 where: short stacking energy: -425.036 Base-Backbone interact. energy: -1.107 local terms energy: -441.520108 where: bonds (distance) C4'-P energy: -80.652 bonds (distance) P-C4' energy: -76.503 flat angles C4'-P-C4' energy: -91.583 flat angles P-C4'-P energy: -65.003 tors. eta vs tors. theta energy: -127.778 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: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1298.452351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.452351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.452351 (E_RNA) where: Base-Base interactions energy: -876.812 where: short stacking energy: -357.764 Base-Backbone interact. energy: -1.105 local terms energy: -420.534612 where: bonds (distance) C4'-P energy: -84.245 bonds (distance) P-C4' energy: -78.455 flat angles C4'-P-C4' energy: -93.467 flat angles P-C4'-P energy: -61.221 tors. eta vs tors. theta energy: -103.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1202.176865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.176865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.176865 (E_RNA) where: Base-Base interactions energy: -797.639 where: short stacking energy: -361.611 Base-Backbone interact. energy: -2.494 local terms energy: -402.043811 where: bonds (distance) C4'-P energy: -74.342 bonds (distance) P-C4' energy: -80.518 flat angles C4'-P-C4' energy: -84.498 flat angles P-C4'-P energy: -63.923 tors. eta vs tors. theta energy: -98.762 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: 4, replica: 2 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1085.424193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.424193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.424193 (E_RNA) where: Base-Base interactions energy: -703.603 where: short stacking energy: -314.483 Base-Backbone interact. energy: -2.532 local terms energy: -379.288318 where: bonds (distance) C4'-P energy: -72.559 bonds (distance) P-C4' energy: -75.742 flat angles C4'-P-C4' energy: -85.379 flat angles P-C4'-P energy: -51.335 tors. eta vs tors. theta energy: -94.274 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: 305 Temperature: 1.100000 Total energy: -936.268659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.268659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.268659 (E_RNA) where: Base-Base interactions energy: -587.076 where: short stacking energy: -277.623 Base-Backbone interact. energy: -3.474 local terms energy: -345.718461 where: bonds (distance) C4'-P energy: -59.213 bonds (distance) P-C4' energy: -72.609 flat angles C4'-P-C4' energy: -81.286 flat angles P-C4'-P energy: -52.412 tors. eta vs tors. theta energy: -80.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -846.844442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.844442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.844442 (E_RNA) where: Base-Base interactions energy: -527.026 where: short stacking energy: -229.023 Base-Backbone interact. energy: 3.066 local terms energy: -322.884170 where: bonds (distance) C4'-P energy: -63.832 bonds (distance) P-C4' energy: -78.191 flat angles C4'-P-C4' energy: -76.955 flat angles P-C4'-P energy: -40.622 tors. eta vs tors. theta energy: -63.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -772.726970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.726970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.726970 (E_RNA) where: Base-Base interactions energy: -453.807 where: short stacking energy: -232.384 Base-Backbone interact. energy: 1.467 local terms energy: -320.387306 where: bonds (distance) C4'-P energy: -68.488 bonds (distance) P-C4' energy: -64.066 flat angles C4'-P-C4' energy: -72.750 flat angles P-C4'-P energy: -58.394 tors. eta vs tors. theta energy: -56.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -656.784633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.784633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.784633 (E_RNA) where: Base-Base interactions energy: -377.083 where: short stacking energy: -194.106 Base-Backbone interact. energy: -0.022 local terms energy: -279.680218 where: bonds (distance) C4'-P energy: -71.246 bonds (distance) P-C4' energy: -77.579 flat angles C4'-P-C4' energy: -60.029 flat angles P-C4'-P energy: -50.990 tors. eta vs tors. theta energy: -19.837 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: 8 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -520.236793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.236793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.236793 (E_RNA) where: Base-Base interactions energy: -267.895 where: short stacking energy: -153.723 Base-Backbone interact. energy: -2.082 local terms energy: -250.259936 where: bonds (distance) C4'-P energy: -69.067 bonds (distance) P-C4' energy: -76.016 flat angles C4'-P-C4' energy: -44.042 flat angles P-C4'-P energy: -45.420 tors. eta vs tors. theta energy: -15.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -505.271572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.271572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.271572 (E_RNA) where: Base-Base interactions energy: -263.474 where: short stacking energy: -138.086 Base-Backbone interact. energy: -1.370 local terms energy: -240.427673 where: bonds (distance) C4'-P energy: -68.649 bonds (distance) P-C4' energy: -74.753 flat angles C4'-P-C4' energy: -62.620 flat angles P-C4'-P energy: -29.278 tors. eta vs tors. theta energy: -5.128 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: 10 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1379.948383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.948383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.948383 (E_RNA) where: Base-Base interactions energy: -920.962 where: short stacking energy: -434.965 Base-Backbone interact. energy: -1.024 local terms energy: -457.962357 where: bonds (distance) C4'-P energy: -88.426 bonds (distance) P-C4' energy: -84.569 flat angles C4'-P-C4' energy: -84.418 flat angles P-C4'-P energy: -67.505 tors. eta vs tors. theta energy: -133.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1288.862121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.862121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.862121 (E_RNA) where: Base-Base interactions energy: -870.571 where: short stacking energy: -369.083 Base-Backbone interact. energy: -2.464 local terms energy: -415.827872 where: bonds (distance) C4'-P energy: -79.114 bonds (distance) P-C4' energy: -77.530 flat angles C4'-P-C4' energy: -85.700 flat angles P-C4'-P energy: -64.185 tors. eta vs tors. theta energy: -109.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1205.555188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.555188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.555188 (E_RNA) where: Base-Base interactions energy: -801.461 where: short stacking energy: -355.628 Base-Backbone interact. energy: -2.693 local terms energy: -401.401779 where: bonds (distance) C4'-P energy: -68.838 bonds (distance) P-C4' energy: -71.551 flat angles C4'-P-C4' energy: -90.503 flat angles P-C4'-P energy: -68.349 tors. eta vs tors. theta energy: -102.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1118.158620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.158620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.158620 (E_RNA) where: Base-Base interactions energy: -749.501 where: short stacking energy: -350.815 Base-Backbone interact. energy: -1.753 local terms energy: -366.904884 where: bonds (distance) C4'-P energy: -72.047 bonds (distance) P-C4' energy: -69.150 flat angles C4'-P-C4' energy: -85.763 flat angles P-C4'-P energy: -36.199 tors. eta vs tors. theta energy: -103.746 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: 1 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -963.258435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.258435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.258435 (E_RNA) where: Base-Base interactions energy: -606.923 where: short stacking energy: -305.790 Base-Backbone interact. energy: -1.128 local terms energy: -355.207490 where: bonds (distance) C4'-P energy: -69.518 bonds (distance) P-C4' energy: -71.431 flat angles C4'-P-C4' energy: -78.387 flat angles P-C4'-P energy: -51.685 tors. eta vs tors. theta energy: -84.187 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: 4 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -841.639382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.639382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.639382 (E_RNA) where: Base-Base interactions energy: -560.260 where: short stacking energy: -258.594 Base-Backbone interact. energy: -0.267 local terms energy: -281.112894 where: bonds (distance) C4'-P energy: -53.843 bonds (distance) P-C4' energy: -58.995 flat angles C4'-P-C4' energy: -73.743 flat angles P-C4'-P energy: -40.889 tors. eta vs tors. theta energy: -53.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -748.746195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.746195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.746195 (E_RNA) where: Base-Base interactions energy: -456.951 where: short stacking energy: -213.303 Base-Backbone interact. energy: -0.738 local terms energy: -291.057140 where: bonds (distance) C4'-P energy: -73.693 bonds (distance) P-C4' energy: -69.075 flat angles C4'-P-C4' energy: -63.018 flat angles P-C4'-P energy: -43.717 tors. eta vs tors. theta energy: -41.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -683.532280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.532280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.532280 (E_RNA) where: Base-Base interactions energy: -417.608 where: short stacking energy: -217.661 Base-Backbone interact. energy: 1.402 local terms energy: -267.326375 where: bonds (distance) C4'-P energy: -56.301 bonds (distance) P-C4' energy: -70.303 flat angles C4'-P-C4' energy: -48.640 flat angles P-C4'-P energy: -44.872 tors. eta vs tors. theta energy: -47.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -568.854037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.854037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.854037 (E_RNA) where: Base-Base interactions energy: -305.253 where: short stacking energy: -178.848 Base-Backbone interact. energy: -2.311 local terms energy: -261.290195 where: bonds (distance) C4'-P energy: -59.964 bonds (distance) P-C4' energy: -67.962 flat angles C4'-P-C4' energy: -63.350 flat angles P-C4'-P energy: -42.968 tors. eta vs tors. theta energy: -27.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -502.504526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.504526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.504526 (E_RNA) where: Base-Base interactions energy: -277.893 where: short stacking energy: -155.381 Base-Backbone interact. energy: 0.725 local terms energy: -225.336037 where: bonds (distance) C4'-P energy: -64.512 bonds (distance) P-C4' energy: -63.560 flat angles C4'-P-C4' energy: -48.571 flat angles P-C4'-P energy: -35.946 tors. eta vs tors. theta energy: -12.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1352.021083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.021083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.021083 (E_RNA) where: Base-Base interactions energy: -904.391 where: short stacking energy: -418.009 Base-Backbone interact. energy: -0.744 local terms energy: -446.885364 where: bonds (distance) C4'-P energy: -91.107 bonds (distance) P-C4' energy: -82.215 flat angles C4'-P-C4' energy: -88.493 flat angles P-C4'-P energy: -60.111 tors. eta vs tors. theta energy: -124.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1294.024980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.024980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.024980 (E_RNA) where: Base-Base interactions energy: -887.205 where: short stacking energy: -370.511 Base-Backbone interact. energy: -1.387 local terms energy: -405.432959 where: bonds (distance) C4'-P energy: -76.126 bonds (distance) P-C4' energy: -78.669 flat angles C4'-P-C4' energy: -90.790 flat angles P-C4'-P energy: -53.792 tors. eta vs tors. theta energy: -106.056 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: 9 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1175.380520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.380520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.380520 (E_RNA) where: Base-Base interactions energy: -788.496 where: short stacking energy: -371.706 Base-Backbone interact. energy: -0.826 local terms energy: -386.057910 where: bonds (distance) C4'-P energy: -73.354 bonds (distance) P-C4' energy: -67.237 flat angles C4'-P-C4' energy: -76.565 flat angles P-C4'-P energy: -62.536 tors. eta vs tors. theta energy: -106.365 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: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1094.515157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.515157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.515157 (E_RNA) where: Base-Base interactions energy: -735.652 where: short stacking energy: -323.721 Base-Backbone interact. energy: 1.178 local terms energy: -360.041395 where: bonds (distance) C4'-P energy: -65.093 bonds (distance) P-C4' energy: -67.279 flat angles C4'-P-C4' energy: -77.591 flat angles P-C4'-P energy: -56.765 tors. eta vs tors. theta energy: -93.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -978.375855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.375855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.375855 (E_RNA) where: Base-Base interactions energy: -618.615 where: short stacking energy: -300.894 Base-Backbone interact. energy: -2.770 local terms energy: -356.990303 where: bonds (distance) C4'-P energy: -61.262 bonds (distance) P-C4' energy: -77.123 flat angles C4'-P-C4' energy: -78.762 flat angles P-C4'-P energy: -50.005 tors. eta vs tors. theta energy: -89.839 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: 4 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -898.434860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.434860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.434860 (E_RNA) where: Base-Base interactions energy: -550.107 where: short stacking energy: -254.860 Base-Backbone interact. energy: -2.498 local terms energy: -345.829645 where: bonds (distance) C4'-P energy: -72.039 bonds (distance) P-C4' energy: -82.436 flat angles C4'-P-C4' energy: -87.827 flat angles P-C4'-P energy: -47.893 tors. eta vs tors. theta energy: -55.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -795.269876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.269876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.269876 (E_RNA) where: Base-Base interactions energy: -498.299 where: short stacking energy: -269.637 Base-Backbone interact. energy: 1.155 local terms energy: -298.126384 where: bonds (distance) C4'-P energy: -59.048 bonds (distance) P-C4' energy: -69.058 flat angles C4'-P-C4' energy: -72.050 flat angles P-C4'-P energy: -41.265 tors. eta vs tors. theta energy: -56.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -667.186338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.186338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.186338 (E_RNA) where: Base-Base interactions energy: -370.960 where: short stacking energy: -183.264 Base-Backbone interact. energy: -1.172 local terms energy: -295.053745 where: bonds (distance) C4'-P energy: -69.782 bonds (distance) P-C4' energy: -68.606 flat angles C4'-P-C4' energy: -75.707 flat angles P-C4'-P energy: -44.367 tors. eta vs tors. theta energy: -36.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -512.563625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.563625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.563625 (E_RNA) where: Base-Base interactions energy: -263.045 where: short stacking energy: -148.016 Base-Backbone interact. energy: -0.580 local terms energy: -248.938438 where: bonds (distance) C4'-P energy: -59.744 bonds (distance) P-C4' energy: -66.264 flat angles C4'-P-C4' energy: -69.547 flat angles P-C4'-P energy: -32.300 tors. eta vs tors. theta energy: -21.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -484.417190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.417190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.417190 (E_RNA) where: Base-Base interactions energy: -250.356 where: short stacking energy: -144.870 Base-Backbone interact. energy: -1.632 local terms energy: -232.429399 where: bonds (distance) C4'-P energy: -59.619 bonds (distance) P-C4' energy: -82.147 flat angles C4'-P-C4' energy: -48.428 flat angles P-C4'-P energy: -24.059 tors. eta vs tors. theta energy: -18.175 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: 10 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1372.089151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.089151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.089151 (E_RNA) where: Base-Base interactions energy: -922.191 where: short stacking energy: -417.021 Base-Backbone interact. energy: -0.997 local terms energy: -448.901266 where: bonds (distance) C4'-P energy: -75.890 bonds (distance) P-C4' energy: -77.337 flat angles C4'-P-C4' energy: -97.224 flat angles P-C4'-P energy: -68.462 tors. eta vs tors. theta energy: -129.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1274.377634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.377634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.377634 (E_RNA) where: Base-Base interactions energy: -859.353 where: short stacking energy: -384.696 Base-Backbone interact. energy: -0.951 local terms energy: -414.073952 where: bonds (distance) C4'-P energy: -79.067 bonds (distance) P-C4' energy: -80.801 flat angles C4'-P-C4' energy: -85.190 flat angles P-C4'-P energy: -57.218 tors. eta vs tors. theta energy: -111.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1212.252754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.252754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.252754 (E_RNA) where: Base-Base interactions energy: -796.750 where: short stacking energy: -372.428 Base-Backbone interact. energy: -2.492 local terms energy: -413.010545 where: bonds (distance) C4'-P energy: -81.743 bonds (distance) P-C4' energy: -83.592 flat angles C4'-P-C4' energy: -83.792 flat angles P-C4'-P energy: -56.502 tors. eta vs tors. theta energy: -107.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1106.372768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.372768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.372768 (E_RNA) where: Base-Base interactions energy: -736.978 where: short stacking energy: -344.680 Base-Backbone interact. energy: -1.805 local terms energy: -367.589893 where: bonds (distance) C4'-P energy: -78.630 bonds (distance) P-C4' energy: -68.442 flat angles C4'-P-C4' energy: -85.496 flat angles P-C4'-P energy: -45.131 tors. eta vs tors. theta energy: -89.892 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: 308 Temperature: 1.100000 Total energy: -966.195590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.195590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.195590 (E_RNA) where: Base-Base interactions energy: -623.204 where: short stacking energy: -303.286 Base-Backbone interact. energy: -0.365 local terms energy: -342.626230 where: bonds (distance) C4'-P energy: -63.537 bonds (distance) P-C4' energy: -63.800 flat angles C4'-P-C4' energy: -83.429 flat angles P-C4'-P energy: -50.006 tors. eta vs tors. theta energy: -81.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -914.658123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.658123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.658123 (E_RNA) where: Base-Base interactions energy: -576.025 where: short stacking energy: -275.358 Base-Backbone interact. energy: -0.901 local terms energy: -337.732622 where: bonds (distance) C4'-P energy: -64.154 bonds (distance) P-C4' energy: -72.113 flat angles C4'-P-C4' energy: -77.805 flat angles P-C4'-P energy: -53.418 tors. eta vs tors. theta energy: -70.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -698.765326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.765326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.765326 (E_RNA) where: Base-Base interactions energy: -420.556 where: short stacking energy: -202.230 Base-Backbone interact. energy: -2.799 local terms energy: -275.411043 where: bonds (distance) C4'-P energy: -59.603 bonds (distance) P-C4' energy: -69.573 flat angles C4'-P-C4' energy: -71.078 flat angles P-C4'-P energy: -41.520 tors. eta vs tors. theta energy: -33.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -711.870863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.870863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.870863 (E_RNA) where: Base-Base interactions energy: -406.014 where: short stacking energy: -196.108 Base-Backbone interact. energy: -0.907 local terms energy: -304.950053 where: bonds (distance) C4'-P energy: -71.862 bonds (distance) P-C4' energy: -84.429 flat angles C4'-P-C4' energy: -65.781 flat angles P-C4'-P energy: -38.159 tors. eta vs tors. theta energy: -44.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -543.816633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.816633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.816633 (E_RNA) where: Base-Base interactions energy: -277.451 where: short stacking energy: -167.946 Base-Backbone interact. energy: -1.551 local terms energy: -264.814437 where: bonds (distance) C4'-P energy: -63.978 bonds (distance) P-C4' energy: -71.088 flat angles C4'-P-C4' energy: -59.368 flat angles P-C4'-P energy: -44.997 tors. eta vs tors. theta energy: -25.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -446.551675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.551675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.551675 (E_RNA) where: Base-Base interactions energy: -205.342 where: short stacking energy: -114.794 Base-Backbone interact. energy: -0.339 local terms energy: -240.870252 where: bonds (distance) C4'-P energy: -70.138 bonds (distance) P-C4' energy: -77.139 flat angles C4'-P-C4' energy: -63.638 flat angles P-C4'-P energy: -35.829 tors. eta vs tors. theta energy: 5.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1371.238518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.238518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.238518 (E_RNA) where: Base-Base interactions energy: -927.983 where: short stacking energy: -417.114 Base-Backbone interact. energy: -0.928 local terms energy: -442.327040 where: bonds (distance) C4'-P energy: -73.994 bonds (distance) P-C4' energy: -77.479 flat angles C4'-P-C4' energy: -90.462 flat angles P-C4'-P energy: -69.729 tors. eta vs tors. theta energy: -130.663 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: 7 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1300.766217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.766217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.766217 (E_RNA) where: Base-Base interactions energy: -873.078 where: short stacking energy: -372.410 Base-Backbone interact. energy: -2.682 local terms energy: -425.006583 where: bonds (distance) C4'-P energy: -71.114 bonds (distance) P-C4' energy: -83.424 flat angles C4'-P-C4' energy: -90.159 flat angles P-C4'-P energy: -64.643 tors. eta vs tors. theta energy: -115.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1208.974229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.974229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.974229 (E_RNA) where: Base-Base interactions energy: -806.801 where: short stacking energy: -369.426 Base-Backbone interact. energy: -0.567 local terms energy: -401.606444 where: bonds (distance) C4'-P energy: -79.821 bonds (distance) P-C4' energy: -74.489 flat angles C4'-P-C4' energy: -86.432 flat angles P-C4'-P energy: -51.545 tors. eta vs tors. theta energy: -109.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1133.644429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.644429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.644429 (E_RNA) where: Base-Base interactions energy: -741.492 where: short stacking energy: -358.218 Base-Backbone interact. energy: -1.067 local terms energy: -391.086165 where: bonds (distance) C4'-P energy: -66.702 bonds (distance) P-C4' energy: -82.321 flat angles C4'-P-C4' energy: -78.359 flat angles P-C4'-P energy: -58.503 tors. eta vs tors. theta energy: -105.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -949.725062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.725062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.725062 (E_RNA) where: Base-Base interactions energy: -610.475 where: short stacking energy: -275.748 Base-Backbone interact. energy: -1.770 local terms energy: -337.480280 where: bonds (distance) C4'-P energy: -75.349 bonds (distance) P-C4' energy: -71.187 flat angles C4'-P-C4' energy: -78.056 flat angles P-C4'-P energy: -51.043 tors. eta vs tors. theta energy: -61.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -889.065194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.065194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.065194 (E_RNA) where: Base-Base interactions energy: -551.131 where: short stacking energy: -244.758 Base-Backbone interact. energy: -1.519 local terms energy: -336.414626 where: bonds (distance) C4'-P energy: -73.872 bonds (distance) P-C4' energy: -71.362 flat angles C4'-P-C4' energy: -82.674 flat angles P-C4'-P energy: -47.508 tors. eta vs tors. theta energy: -60.998 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: 7, replica: 5 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -713.449845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.449845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.449845 (E_RNA) where: Base-Base interactions energy: -409.724 where: short stacking energy: -194.824 Base-Backbone interact. energy: -1.948 local terms energy: -301.777533 where: bonds (distance) C4'-P energy: -71.467 bonds (distance) P-C4' energy: -71.452 flat angles C4'-P-C4' energy: -72.103 flat angles P-C4'-P energy: -44.923 tors. eta vs tors. theta energy: -41.832 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: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -706.457143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.457143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.457143 (E_RNA) where: Base-Base interactions energy: -412.282 where: short stacking energy: -197.754 Base-Backbone interact. energy: 0.471 local terms energy: -294.646828 where: bonds (distance) C4'-P energy: -74.493 bonds (distance) P-C4' energy: -71.239 flat angles C4'-P-C4' energy: -69.699 flat angles P-C4'-P energy: -36.945 tors. eta vs tors. theta energy: -42.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -451.452580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.452580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.452580 (E_RNA) where: Base-Base interactions energy: -211.317 where: short stacking energy: -127.498 Base-Backbone interact. energy: -2.738 local terms energy: -237.397259 where: bonds (distance) C4'-P energy: -64.185 bonds (distance) P-C4' energy: -57.903 flat angles C4'-P-C4' energy: -69.840 flat angles P-C4'-P energy: -46.447 tors. eta vs tors. theta energy: 0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -453.537220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.537220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.537220 (E_RNA) where: Base-Base interactions energy: -220.592 where: short stacking energy: -123.394 Base-Backbone interact. energy: -0.666 local terms energy: -232.279312 where: bonds (distance) C4'-P energy: -69.027 bonds (distance) P-C4' energy: -68.058 flat angles C4'-P-C4' energy: -57.020 flat angles P-C4'-P energy: -46.414 tors. eta vs tors. theta energy: 8.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1378.625933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.625933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.625933 (E_RNA) where: Base-Base interactions energy: -931.700 where: short stacking energy: -429.980 Base-Backbone interact. energy: 0.217 local terms energy: -447.143304 where: bonds (distance) C4'-P energy: -79.977 bonds (distance) P-C4' energy: -82.301 flat angles C4'-P-C4' energy: -93.006 flat angles P-C4'-P energy: -59.704 tors. eta vs tors. theta energy: -132.155 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: 7 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1301.653120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.653120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.653120 (E_RNA) where: Base-Base interactions energy: -909.818 where: short stacking energy: -405.677 Base-Backbone interact. energy: -2.325 local terms energy: -389.509779 where: bonds (distance) C4'-P energy: -67.633 bonds (distance) P-C4' energy: -60.366 flat angles C4'-P-C4' energy: -93.528 flat angles P-C4'-P energy: -53.463 tors. eta vs tors. theta energy: -114.519 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: 310 Temperature: 1.000000 Total energy: -1208.251443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.251443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.251443 (E_RNA) where: Base-Base interactions energy: -811.850 where: short stacking energy: -374.925 Base-Backbone interact. energy: -1.598 local terms energy: -394.803812 where: bonds (distance) C4'-P energy: -78.843 bonds (distance) P-C4' energy: -67.338 flat angles C4'-P-C4' energy: -84.657 flat angles P-C4'-P energy: -56.292 tors. eta vs tors. theta energy: -107.674 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: 2 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1132.036743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.036743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.036743 (E_RNA) where: Base-Base interactions energy: -758.760 where: short stacking energy: -351.835 Base-Backbone interact. energy: -2.734 local terms energy: -370.542237 where: bonds (distance) C4'-P energy: -68.591 bonds (distance) P-C4' energy: -74.900 flat angles C4'-P-C4' energy: -78.112 flat angles P-C4'-P energy: -52.877 tors. eta vs tors. theta energy: -96.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -984.852300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.852300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.852300 (E_RNA) where: Base-Base interactions energy: -622.785 where: short stacking energy: -293.545 Base-Backbone interact. energy: 0.072 local terms energy: -362.138529 where: bonds (distance) C4'-P energy: -73.790 bonds (distance) P-C4' energy: -79.490 flat angles C4'-P-C4' energy: -73.927 flat angles P-C4'-P energy: -48.028 tors. eta vs tors. theta energy: -86.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -860.783253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.783253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.783253 (E_RNA) where: Base-Base interactions energy: -539.542 where: short stacking energy: -244.632 Base-Backbone interact. energy: 0.258 local terms energy: -321.499005 where: bonds (distance) C4'-P energy: -66.015 bonds (distance) P-C4' energy: -69.603 flat angles C4'-P-C4' energy: -72.057 flat angles P-C4'-P energy: -49.077 tors. eta vs tors. theta energy: -64.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -715.253260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.253260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.253260 (E_RNA) where: Base-Base interactions energy: -432.844 where: short stacking energy: -212.503 Base-Backbone interact. energy: 2.624 local terms energy: -285.033427 where: bonds (distance) C4'-P energy: -62.680 bonds (distance) P-C4' energy: -73.415 flat angles C4'-P-C4' energy: -61.310 flat angles P-C4'-P energy: -46.004 tors. eta vs tors. theta energy: -41.624 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: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -693.203265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.203265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.203265 (E_RNA) where: Base-Base interactions energy: -413.266 where: short stacking energy: -204.375 Base-Backbone interact. energy: -0.186 local terms energy: -279.751128 where: bonds (distance) C4'-P energy: -67.350 bonds (distance) P-C4' energy: -73.611 flat angles C4'-P-C4' energy: -69.772 flat angles P-C4'-P energy: -34.699 tors. eta vs tors. theta energy: -34.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -478.512900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.512900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.512900 (E_RNA) where: Base-Base interactions energy: -239.581 where: short stacking energy: -145.439 Base-Backbone interact. energy: 0.770 local terms energy: -239.702504 where: bonds (distance) C4'-P energy: -59.683 bonds (distance) P-C4' energy: -60.956 flat angles C4'-P-C4' energy: -71.406 flat angles P-C4'-P energy: -34.691 tors. eta vs tors. theta energy: -12.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -437.098014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.098014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.098014 (E_RNA) where: Base-Base interactions energy: -209.427 where: short stacking energy: -118.145 Base-Backbone interact. energy: 3.031 local terms energy: -230.702317 where: bonds (distance) C4'-P energy: -70.310 bonds (distance) P-C4' energy: -68.992 flat angles C4'-P-C4' energy: -49.264 flat angles P-C4'-P energy: -31.776 tors. eta vs tors. theta energy: -10.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1411.694393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.694393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.694393 (E_RNA) where: Base-Base interactions energy: -958.642 where: short stacking energy: -433.991 Base-Backbone interact. energy: -2.907 local terms energy: -450.145769 where: bonds (distance) C4'-P energy: -68.890 bonds (distance) P-C4' energy: -91.089 flat angles C4'-P-C4' energy: -94.636 flat angles P-C4'-P energy: -63.017 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: 2, replica: 7 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1278.124825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.124825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.124825 (E_RNA) where: Base-Base interactions energy: -866.933 where: short stacking energy: -344.575 Base-Backbone interact. energy: 0.362 local terms energy: -411.553730 where: bonds (distance) C4'-P energy: -83.675 bonds (distance) P-C4' energy: -87.254 flat angles C4'-P-C4' energy: -84.608 flat angles P-C4'-P energy: -54.566 tors. eta vs tors. theta energy: -101.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1216.618789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.618789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.618789 (E_RNA) where: Base-Base interactions energy: -804.341 where: short stacking energy: -376.349 Base-Backbone interact. energy: 0.128 local terms energy: -412.406374 where: bonds (distance) C4'-P energy: -73.807 bonds (distance) P-C4' energy: -83.584 flat angles C4'-P-C4' energy: -80.474 flat angles P-C4'-P energy: -60.437 tors. eta vs tors. theta energy: -114.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1107.233907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.233907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.233907 (E_RNA) where: Base-Base interactions energy: -719.479 where: short stacking energy: -308.604 Base-Backbone interact. energy: 0.546 local terms energy: -388.301681 where: bonds (distance) C4'-P energy: -71.448 bonds (distance) P-C4' energy: -76.553 flat angles C4'-P-C4' energy: -88.653 flat angles P-C4'-P energy: -57.811 tors. eta vs tors. theta energy: -93.836 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: 1 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1039.319147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.319147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.319147 (E_RNA) where: Base-Base interactions energy: -679.918 where: short stacking energy: -303.136 Base-Backbone interact. energy: 4.390 local terms energy: -363.791458 where: bonds (distance) C4'-P energy: -82.215 bonds (distance) P-C4' energy: -65.434 flat angles C4'-P-C4' energy: -82.674 flat angles P-C4'-P energy: -48.688 tors. eta vs tors. theta energy: -84.780 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: 4 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -934.484439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.484439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.484439 (E_RNA) where: Base-Base interactions energy: -590.015 where: short stacking energy: -273.245 Base-Backbone interact. energy: -1.248 local terms energy: -343.221133 where: bonds (distance) C4'-P energy: -70.433 bonds (distance) P-C4' energy: -69.207 flat angles C4'-P-C4' energy: -74.954 flat angles P-C4'-P energy: -52.700 tors. eta vs tors. theta energy: -75.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -791.243793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.243793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.243793 (E_RNA) where: Base-Base interactions energy: -468.926 where: short stacking energy: -242.402 Base-Backbone interact. energy: -0.501 local terms energy: -321.817401 where: bonds (distance) C4'-P energy: -75.216 bonds (distance) P-C4' energy: -67.642 flat angles C4'-P-C4' energy: -76.040 flat angles P-C4'-P energy: -54.963 tors. eta vs tors. theta energy: -47.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -681.741009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.741009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.741009 (E_RNA) where: Base-Base interactions energy: -405.952 where: short stacking energy: -207.435 Base-Backbone interact. energy: -0.726 local terms energy: -275.062906 where: bonds (distance) C4'-P energy: -69.314 bonds (distance) P-C4' energy: -64.974 flat angles C4'-P-C4' energy: -72.880 flat angles P-C4'-P energy: -30.613 tors. eta vs tors. theta energy: -37.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -534.293855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.293855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.293855 (E_RNA) where: Base-Base interactions energy: -287.928 where: short stacking energy: -174.161 Base-Backbone interact. energy: -1.244 local terms energy: -245.121720 where: bonds (distance) C4'-P energy: -62.758 bonds (distance) P-C4' energy: -67.198 flat angles C4'-P-C4' energy: -69.478 flat angles P-C4'-P energy: -31.161 tors. eta vs tors. theta energy: -14.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -445.537345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.537345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.537345 (E_RNA) where: Base-Base interactions energy: -211.800 where: short stacking energy: -102.369 Base-Backbone interact. energy: -1.117 local terms energy: -232.620694 where: bonds (distance) C4'-P energy: -61.971 bonds (distance) P-C4' energy: -78.844 flat angles C4'-P-C4' energy: -57.494 flat angles P-C4'-P energy: -39.439 tors. eta vs tors. theta energy: 5.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1386.744008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.744008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.744008 (E_RNA) where: Base-Base interactions energy: -926.315 where: short stacking energy: -418.473 Base-Backbone interact. energy: -1.092 local terms energy: -459.336665 where: bonds (distance) C4'-P energy: -85.014 bonds (distance) P-C4' energy: -85.464 flat angles C4'-P-C4' energy: -89.967 flat angles P-C4'-P energy: -65.593 tors. eta vs tors. theta energy: -133.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1276.545046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.545046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.545046 (E_RNA) where: Base-Base interactions energy: -884.077 where: short stacking energy: -379.983 Base-Backbone interact. energy: -0.848 local terms energy: -391.619954 where: bonds (distance) C4'-P energy: -71.585 bonds (distance) P-C4' energy: -71.249 flat angles C4'-P-C4' energy: -85.410 flat angles P-C4'-P energy: -59.582 tors. eta vs tors. theta energy: -103.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1231.807538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.807538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.807538 (E_RNA) where: Base-Base interactions energy: -809.835 where: short stacking energy: -387.875 Base-Backbone interact. energy: 0.865 local terms energy: -422.837936 where: bonds (distance) C4'-P energy: -74.587 bonds (distance) P-C4' energy: -89.487 flat angles C4'-P-C4' energy: -85.659 flat angles P-C4'-P energy: -52.011 tors. eta vs tors. theta energy: -121.094 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: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1108.710493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.710493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.710493 (E_RNA) where: Base-Base interactions energy: -751.886 where: short stacking energy: -338.925 Base-Backbone interact. energy: -1.385 local terms energy: -355.439371 where: bonds (distance) C4'-P energy: -59.150 bonds (distance) P-C4' energy: -74.395 flat angles C4'-P-C4' energy: -80.083 flat angles P-C4'-P energy: -51.015 tors. eta vs tors. theta energy: -90.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1008.862654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.862654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.862654 (E_RNA) where: Base-Base interactions energy: -663.188 where: short stacking energy: -312.238 Base-Backbone interact. energy: -0.228 local terms energy: -345.446144 where: bonds (distance) C4'-P energy: -70.848 bonds (distance) P-C4' energy: -74.556 flat angles C4'-P-C4' energy: -76.445 flat angles P-C4'-P energy: -41.004 tors. eta vs tors. theta energy: -82.592 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: 1 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -945.629802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.629802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.629802 (E_RNA) where: Base-Base interactions energy: -607.494 where: short stacking energy: -268.063 Base-Backbone interact. energy: 1.860 local terms energy: -339.996172 where: bonds (distance) C4'-P energy: -75.344 bonds (distance) P-C4' energy: -80.896 flat angles C4'-P-C4' energy: -66.559 flat angles P-C4'-P energy: -59.951 tors. eta vs tors. theta energy: -57.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -813.151495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.151495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.151495 (E_RNA) where: Base-Base interactions energy: -489.566 where: short stacking energy: -237.325 Base-Backbone interact. energy: 0.565 local terms energy: -324.150271 where: bonds (distance) C4'-P energy: -80.985 bonds (distance) P-C4' energy: -70.657 flat angles C4'-P-C4' energy: -82.849 flat angles P-C4'-P energy: -36.236 tors. eta vs tors. theta energy: -53.423 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: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -668.013327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.013327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.013327 (E_RNA) where: Base-Base interactions energy: -373.698 where: short stacking energy: -187.256 Base-Backbone interact. energy: 1.320 local terms energy: -295.634863 where: bonds (distance) C4'-P energy: -61.815 bonds (distance) P-C4' energy: -66.039 flat angles C4'-P-C4' energy: -66.053 flat angles P-C4'-P energy: -51.566 tors. eta vs tors. theta energy: -50.162 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: 3 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -455.421149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.421149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.421149 (E_RNA) where: Base-Base interactions energy: -235.551 where: short stacking energy: -150.633 Base-Backbone interact. energy: -0.220 local terms energy: -219.650256 where: bonds (distance) C4'-P energy: -63.644 bonds (distance) P-C4' energy: -60.721 flat angles C4'-P-C4' energy: -47.637 flat angles P-C4'-P energy: -41.263 tors. eta vs tors. theta energy: -6.385 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: 312 Temperature: 1.350000 Total energy: -476.003017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.003017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.003017 (E_RNA) where: Base-Base interactions energy: -240.479 where: short stacking energy: -143.699 Base-Backbone interact. energy: 5.304 local terms energy: -240.827861 where: bonds (distance) C4'-P energy: -64.165 bonds (distance) P-C4' energy: -61.253 flat angles C4'-P-C4' energy: -56.198 flat angles P-C4'-P energy: -36.603 tors. eta vs tors. theta energy: -22.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1390.482270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.482270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.482270 (E_RNA) where: Base-Base interactions energy: -973.189 where: short stacking energy: -424.149 Base-Backbone interact. energy: -1.112 local terms energy: -416.181381 where: bonds (distance) C4'-P energy: -69.318 bonds (distance) P-C4' energy: -58.344 flat angles C4'-P-C4' energy: -93.701 flat angles P-C4'-P energy: -66.470 tors. eta vs tors. theta energy: -128.349 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: 2, replica: 7 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1287.847083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.847083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.847083 (E_RNA) where: Base-Base interactions energy: -880.943 where: short stacking energy: -368.268 Base-Backbone interact. energy: -0.557 local terms energy: -406.346346 where: bonds (distance) C4'-P energy: -82.379 bonds (distance) P-C4' energy: -75.919 flat angles C4'-P-C4' energy: -89.985 flat angles P-C4'-P energy: -52.420 tors. eta vs tors. theta energy: -105.643 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: 313 Temperature: 1.000000 Total energy: -1222.953815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.953815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.953815 (E_RNA) where: Base-Base interactions energy: -806.346 where: short stacking energy: -388.529 Base-Backbone interact. energy: -1.465 local terms energy: -415.142792 where: bonds (distance) C4'-P energy: -84.270 bonds (distance) P-C4' energy: -76.501 flat angles C4'-P-C4' energy: -91.139 flat angles P-C4'-P energy: -54.355 tors. eta vs tors. theta energy: -108.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1113.064125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.064125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.064125 (E_RNA) where: Base-Base interactions energy: -753.834 where: short stacking energy: -335.439 Base-Backbone interact. energy: 4.798 local terms energy: -364.027674 where: bonds (distance) C4'-P energy: -70.971 bonds (distance) P-C4' energy: -72.916 flat angles C4'-P-C4' energy: -82.395 flat angles P-C4'-P energy: -46.080 tors. eta vs tors. theta energy: -91.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -952.156716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.156716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.156716 (E_RNA) where: Base-Base interactions energy: -613.890 where: short stacking energy: -281.822 Base-Backbone interact. energy: -0.703 local terms energy: -337.563250 where: bonds (distance) C4'-P energy: -64.535 bonds (distance) P-C4' energy: -83.769 flat angles C4'-P-C4' energy: -74.374 flat angles P-C4'-P energy: -46.447 tors. eta vs tors. theta energy: -68.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -928.012794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.012794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.012794 (E_RNA) where: Base-Base interactions energy: -604.343 where: short stacking energy: -268.538 Base-Backbone interact. energy: -1.125 local terms energy: -322.544626 where: bonds (distance) C4'-P energy: -71.197 bonds (distance) P-C4' energy: -69.291 flat angles C4'-P-C4' energy: -73.988 flat angles P-C4'-P energy: -44.422 tors. eta vs tors. theta energy: -63.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -808.566133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.566133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.566133 (E_RNA) where: Base-Base interactions energy: -493.382 where: short stacking energy: -230.888 Base-Backbone interact. energy: -1.104 local terms energy: -314.079774 where: bonds (distance) C4'-P energy: -72.529 bonds (distance) P-C4' energy: -71.837 flat angles C4'-P-C4' energy: -63.077 flat angles P-C4'-P energy: -47.711 tors. eta vs tors. theta energy: -58.925 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: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -707.548877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.548877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.548877 (E_RNA) where: Base-Base interactions energy: -413.860 where: short stacking energy: -209.011 Base-Backbone interact. energy: -1.666 local terms energy: -292.023325 where: bonds (distance) C4'-P energy: -55.484 bonds (distance) P-C4' energy: -72.482 flat angles C4'-P-C4' energy: -69.353 flat angles P-C4'-P energy: -43.867 tors. eta vs tors. theta energy: -50.837 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: 3 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -452.914377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.914377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.914377 (E_RNA) where: Base-Base interactions energy: -214.600 where: short stacking energy: -127.131 Base-Backbone interact. energy: 0.194 local terms energy: -238.508039 where: bonds (distance) C4'-P energy: -71.651 bonds (distance) P-C4' energy: -73.584 flat angles C4'-P-C4' energy: -56.176 flat angles P-C4'-P energy: -37.506 tors. eta vs tors. theta energy: 0.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -476.694232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.694232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.694232 (E_RNA) where: Base-Base interactions energy: -249.436 where: short stacking energy: -134.537 Base-Backbone interact. energy: 2.166 local terms energy: -229.424390 where: bonds (distance) C4'-P energy: -59.156 bonds (distance) P-C4' energy: -73.060 flat angles C4'-P-C4' energy: -54.637 flat angles P-C4'-P energy: -42.090 tors. eta vs tors. theta energy: -0.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1391.864562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.864562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.864562 (E_RNA) where: Base-Base interactions energy: -956.602 where: short stacking energy: -443.384 Base-Backbone interact. energy: 1.832 local terms energy: -437.094606 where: bonds (distance) C4'-P energy: -80.384 bonds (distance) P-C4' energy: -83.575 flat angles C4'-P-C4' energy: -93.775 flat angles P-C4'-P energy: -54.087 tors. eta vs tors. theta energy: -125.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1283.760127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.760127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.760127 (E_RNA) where: Base-Base interactions energy: -877.866 where: short stacking energy: -390.443 Base-Backbone interact. energy: 1.150 local terms energy: -407.043879 where: bonds (distance) C4'-P energy: -68.697 bonds (distance) P-C4' energy: -78.322 flat angles C4'-P-C4' energy: -90.235 flat angles P-C4'-P energy: -58.450 tors. eta vs tors. theta energy: -111.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1216.330466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.330466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.330466 (E_RNA) where: Base-Base interactions energy: -782.599 where: short stacking energy: -366.835 Base-Backbone interact. energy: -0.810 local terms energy: -432.921914 where: bonds (distance) C4'-P energy: -88.290 bonds (distance) P-C4' energy: -83.222 flat angles C4'-P-C4' energy: -89.577 flat angles P-C4'-P energy: -59.101 tors. eta vs tors. theta energy: -112.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1111.990144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.990144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.990144 (E_RNA) where: Base-Base interactions energy: -733.796 where: short stacking energy: -333.380 Base-Backbone interact. energy: -0.886 local terms energy: -377.308340 where: bonds (distance) C4'-P energy: -66.150 bonds (distance) P-C4' energy: -86.739 flat angles C4'-P-C4' energy: -79.738 flat angles P-C4'-P energy: -55.316 tors. eta vs tors. theta energy: -89.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -914.080342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.080342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.080342 (E_RNA) where: Base-Base interactions energy: -577.971 where: short stacking energy: -260.161 Base-Backbone interact. energy: -1.837 local terms energy: -334.271755 where: bonds (distance) C4'-P energy: -75.469 bonds (distance) P-C4' energy: -79.009 flat angles C4'-P-C4' energy: -76.030 flat angles P-C4'-P energy: -31.927 tors. eta vs tors. theta energy: -71.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -904.010504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.010504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.010504 (E_RNA) where: Base-Base interactions energy: -609.282 where: short stacking energy: -259.026 Base-Backbone interact. energy: 1.738 local terms energy: -296.465878 where: bonds (distance) C4'-P energy: -71.448 bonds (distance) P-C4' energy: -50.282 flat angles C4'-P-C4' energy: -66.945 flat angles P-C4'-P energy: -51.909 tors. eta vs tors. theta energy: -55.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -795.140442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.140442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.140442 (E_RNA) where: Base-Base interactions energy: -490.294 where: short stacking energy: -217.691 Base-Backbone interact. energy: -2.060 local terms energy: -302.786784 where: bonds (distance) C4'-P energy: -63.566 bonds (distance) P-C4' energy: -73.973 flat angles C4'-P-C4' energy: -75.571 flat angles P-C4'-P energy: -42.555 tors. eta vs tors. theta energy: -47.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -680.923544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.923544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.923544 (E_RNA) where: Base-Base interactions energy: -410.119 where: short stacking energy: -205.728 Base-Backbone interact. energy: -1.215 local terms energy: -269.589662 where: bonds (distance) C4'-P energy: -60.102 bonds (distance) P-C4' energy: -74.245 flat angles C4'-P-C4' energy: -60.174 flat angles P-C4'-P energy: -41.580 tors. eta vs tors. theta energy: -33.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -449.210547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.210547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.210547 (E_RNA) where: Base-Base interactions energy: -202.636 where: short stacking energy: -121.646 Base-Backbone interact. energy: -0.949 local terms energy: -245.625656 where: bonds (distance) C4'-P energy: -74.636 bonds (distance) P-C4' energy: -65.501 flat angles C4'-P-C4' energy: -61.747 flat angles P-C4'-P energy: -39.198 tors. eta vs tors. theta energy: -4.543 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: 10, replica: 8 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -485.132187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.132187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.132187 (E_RNA) where: Base-Base interactions energy: -254.501 where: short stacking energy: -140.955 Base-Backbone interact. energy: -0.753 local terms energy: -229.878033 where: bonds (distance) C4'-P energy: -65.376 bonds (distance) P-C4' energy: -59.578 flat angles C4'-P-C4' energy: -64.610 flat angles P-C4'-P energy: -38.042 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1388.351742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.351742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.351742 (E_RNA) where: Base-Base interactions energy: -936.493 where: short stacking energy: -433.011 Base-Backbone interact. energy: -1.427 local terms energy: -450.431460 where: bonds (distance) C4'-P energy: -79.720 bonds (distance) P-C4' energy: -80.038 flat angles C4'-P-C4' energy: -94.390 flat angles P-C4'-P energy: -71.842 tors. eta vs tors. theta energy: -124.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1292.540090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.540090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.540090 (E_RNA) where: Base-Base interactions energy: -870.896 where: short stacking energy: -365.845 Base-Backbone interact. energy: -3.579 local terms energy: -418.065499 where: bonds (distance) C4'-P energy: -82.155 bonds (distance) P-C4' energy: -85.054 flat angles C4'-P-C4' energy: -89.832 flat angles P-C4'-P energy: -50.562 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: 3, replica: 9 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1200.746976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.746976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.746976 (E_RNA) where: Base-Base interactions energy: -798.138 where: short stacking energy: -373.872 Base-Backbone interact. energy: -1.376 local terms energy: -401.233421 where: bonds (distance) C4'-P energy: -86.088 bonds (distance) P-C4' energy: -65.317 flat angles C4'-P-C4' energy: -86.211 flat angles P-C4'-P energy: -49.498 tors. eta vs tors. theta energy: -114.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1104.615369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.615369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.615369 (E_RNA) where: Base-Base interactions energy: -739.871 where: short stacking energy: -337.325 Base-Backbone interact. energy: -1.537 local terms energy: -363.207493 where: bonds (distance) C4'-P energy: -68.468 bonds (distance) P-C4' energy: -76.834 flat angles C4'-P-C4' energy: -78.091 flat angles P-C4'-P energy: -45.315 tors. eta vs tors. theta energy: -94.499 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: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -940.441179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.441179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.441179 (E_RNA) where: Base-Base interactions energy: -606.627 where: short stacking energy: -303.835 Base-Backbone interact. energy: 1.744 local terms energy: -335.558956 where: bonds (distance) C4'-P energy: -71.568 bonds (distance) P-C4' energy: -77.609 flat angles C4'-P-C4' energy: -77.457 flat angles P-C4'-P energy: -27.352 tors. eta vs tors. theta energy: -81.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -893.777335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.777335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.777335 (E_RNA) where: Base-Base interactions energy: -589.550 where: short stacking energy: -245.594 Base-Backbone interact. energy: -1.173 local terms energy: -303.053526 where: bonds (distance) C4'-P energy: -63.737 bonds (distance) P-C4' energy: -81.508 flat angles C4'-P-C4' energy: -67.880 flat angles P-C4'-P energy: -49.618 tors. eta vs tors. theta energy: -40.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -775.638917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.638917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.638917 (E_RNA) where: Base-Base interactions energy: -470.385 where: short stacking energy: -246.706 Base-Backbone interact. energy: -2.028 local terms energy: -303.226380 where: bonds (distance) C4'-P energy: -60.548 bonds (distance) P-C4' energy: -72.163 flat angles C4'-P-C4' energy: -69.046 flat angles P-C4'-P energy: -46.618 tors. eta vs tors. theta energy: -54.851 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: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -694.726440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.726440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.726440 (E_RNA) where: Base-Base interactions energy: -413.355 where: short stacking energy: -206.575 Base-Backbone interact. energy: 0.191 local terms energy: -281.562720 where: bonds (distance) C4'-P energy: -69.186 bonds (distance) P-C4' energy: -69.015 flat angles C4'-P-C4' energy: -59.965 flat angles P-C4'-P energy: -49.772 tors. eta vs tors. theta energy: -33.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -460.300188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.300188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.300188 (E_RNA) where: Base-Base interactions energy: -211.542 where: short stacking energy: -135.319 Base-Backbone interact. energy: -0.508 local terms energy: -248.250189 where: bonds (distance) C4'-P energy: -65.712 bonds (distance) P-C4' energy: -75.760 flat angles C4'-P-C4' energy: -49.475 flat angles P-C4'-P energy: -48.947 tors. eta vs tors. theta energy: -8.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -463.985136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.985136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.985136 (E_RNA) where: Base-Base interactions energy: -206.745 where: short stacking energy: -117.043 Base-Backbone interact. energy: 0.505 local terms energy: -257.745230 where: bonds (distance) C4'-P energy: -71.350 bonds (distance) P-C4' energy: -73.870 flat angles C4'-P-C4' energy: -66.379 flat angles P-C4'-P energy: -40.186 tors. eta vs tors. theta energy: -5.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1401.920001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.920001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.920001 (E_RNA) where: Base-Base interactions energy: -952.320 where: short stacking energy: -427.774 Base-Backbone interact. energy: -1.402 local terms energy: -448.198029 where: bonds (distance) C4'-P energy: -81.530 bonds (distance) P-C4' energy: -83.619 flat angles C4'-P-C4' energy: -84.778 flat angles P-C4'-P energy: -71.213 tors. eta vs tors. theta energy: -127.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1306.993067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.993067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.993067 (E_RNA) where: Base-Base interactions energy: -879.236 where: short stacking energy: -382.696 Base-Backbone interact. energy: -2.764 local terms energy: -424.992966 where: bonds (distance) C4'-P energy: -77.000 bonds (distance) P-C4' energy: -78.918 flat angles C4'-P-C4' energy: -91.262 flat angles P-C4'-P energy: -57.538 tors. eta vs tors. theta energy: -120.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1215.810398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.810398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.810398 (E_RNA) where: Base-Base interactions energy: -810.262 where: short stacking energy: -365.971 Base-Backbone interact. energy: -0.966 local terms energy: -404.582909 where: bonds (distance) C4'-P energy: -68.266 bonds (distance) P-C4' energy: -85.311 flat angles C4'-P-C4' energy: -88.191 flat angles P-C4'-P energy: -47.499 tors. eta vs tors. theta energy: -115.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1099.353804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.353804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.353804 (E_RNA) where: Base-Base interactions energy: -729.249 where: short stacking energy: -321.706 Base-Backbone interact. energy: -1.559 local terms energy: -368.546081 where: bonds (distance) C4'-P energy: -62.786 bonds (distance) P-C4' energy: -83.495 flat angles C4'-P-C4' energy: -80.250 flat angles P-C4'-P energy: -56.341 tors. eta vs tors. theta energy: -85.675 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: 5, replica: 4 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -983.557113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.557113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.557113 (E_RNA) where: Base-Base interactions energy: -642.840 where: short stacking energy: -320.852 Base-Backbone interact. energy: -2.097 local terms energy: -338.619911 where: bonds (distance) C4'-P energy: -73.313 bonds (distance) P-C4' energy: -71.254 flat angles C4'-P-C4' energy: -80.158 flat angles P-C4'-P energy: -30.111 tors. eta vs tors. theta energy: -83.784 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: 6, replica: 1 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -883.971308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.971308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.971308 (E_RNA) where: Base-Base interactions energy: -562.932 where: short stacking energy: -266.046 Base-Backbone interact. energy: 0.605 local terms energy: -321.644861 where: bonds (distance) C4'-P energy: -72.770 bonds (distance) P-C4' energy: -85.700 flat angles C4'-P-C4' energy: -66.909 flat angles P-C4'-P energy: -38.561 tors. eta vs tors. theta energy: -57.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -726.863736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.863736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.863736 (E_RNA) where: Base-Base interactions energy: -428.022 where: short stacking energy: -218.887 Base-Backbone interact. energy: -1.287 local terms energy: -297.554129 where: bonds (distance) C4'-P energy: -63.664 bonds (distance) P-C4' energy: -67.715 flat angles C4'-P-C4' energy: -81.976 flat angles P-C4'-P energy: -42.091 tors. eta vs tors. theta energy: -42.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -716.516031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.516031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.516031 (E_RNA) where: Base-Base interactions energy: -429.511 where: short stacking energy: -220.113 Base-Backbone interact. energy: -0.979 local terms energy: -286.026032 where: bonds (distance) C4'-P energy: -65.569 bonds (distance) P-C4' energy: -68.363 flat angles C4'-P-C4' energy: -72.927 flat angles P-C4'-P energy: -40.090 tors. eta vs tors. theta energy: -39.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -478.898147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.898147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.898147 (E_RNA) where: Base-Base interactions energy: -238.536 where: short stacking energy: -156.329 Base-Backbone interact. energy: 0.251 local terms energy: -240.612467 where: bonds (distance) C4'-P energy: -58.460 bonds (distance) P-C4' energy: -67.637 flat angles C4'-P-C4' energy: -75.934 flat angles P-C4'-P energy: -30.623 tors. eta vs tors. theta energy: -7.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -411.597442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.597442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.597442 (E_RNA) where: Base-Base interactions energy: -194.610 where: short stacking energy: -129.020 Base-Backbone interact. energy: 1.748 local terms energy: -218.735806 where: bonds (distance) C4'-P energy: -65.359 bonds (distance) P-C4' energy: -59.322 flat angles C4'-P-C4' energy: -58.478 flat angles P-C4'-P energy: -30.541 tors. eta vs tors. theta energy: -5.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1396.796610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.796610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.796610 (E_RNA) where: Base-Base interactions energy: -944.143 where: short stacking energy: -420.181 Base-Backbone interact. energy: -1.118 local terms energy: -451.535786 where: bonds (distance) C4'-P energy: -86.686 bonds (distance) P-C4' energy: -77.047 flat angles C4'-P-C4' energy: -94.824 flat angles P-C4'-P energy: -64.984 tors. eta vs tors. theta energy: -127.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1317.894022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.894022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.894022 (E_RNA) where: Base-Base interactions energy: -902.406 where: short stacking energy: -378.485 Base-Backbone interact. energy: -0.674 local terms energy: -414.813705 where: bonds (distance) C4'-P energy: -85.489 bonds (distance) P-C4' energy: -81.786 flat angles C4'-P-C4' energy: -84.304 flat angles P-C4'-P energy: -46.653 tors. eta vs tors. theta energy: -116.582 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: 317 Temperature: 1.000000 Total energy: -1191.469924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.469924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.469924 (E_RNA) where: Base-Base interactions energy: -802.704 where: short stacking energy: -354.515 Base-Backbone interact. energy: 0.554 local terms energy: -389.320155 where: bonds (distance) C4'-P energy: -69.946 bonds (distance) P-C4' energy: -62.445 flat angles C4'-P-C4' energy: -85.802 flat angles P-C4'-P energy: -65.891 tors. eta vs tors. theta energy: -105.235 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: 317 Temperature: 1.050000 Total energy: -1058.779781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.779781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.779781 (E_RNA) where: Base-Base interactions energy: -718.478 where: short stacking energy: -315.351 Base-Backbone interact. energy: -2.614 local terms energy: -337.687254 where: bonds (distance) C4'-P energy: -77.357 bonds (distance) P-C4' energy: -66.369 flat angles C4'-P-C4' energy: -68.583 flat angles P-C4'-P energy: -41.705 tors. eta vs tors. theta energy: -83.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -969.028215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.028215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.028215 (E_RNA) where: Base-Base interactions energy: -629.134 where: short stacking energy: -290.571 Base-Backbone interact. energy: -0.605 local terms energy: -339.289114 where: bonds (distance) C4'-P energy: -56.383 bonds (distance) P-C4' energy: -75.331 flat angles C4'-P-C4' energy: -76.136 flat angles P-C4'-P energy: -52.884 tors. eta vs tors. theta energy: -78.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -905.878463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.878463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.878463 (E_RNA) where: Base-Base interactions energy: -601.333 where: short stacking energy: -259.758 Base-Backbone interact. energy: -1.594 local terms energy: -302.951337 where: bonds (distance) C4'-P energy: -48.693 bonds (distance) P-C4' energy: -67.201 flat angles C4'-P-C4' energy: -78.312 flat angles P-C4'-P energy: -47.938 tors. eta vs tors. theta energy: -60.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -740.604230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.604230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.604230 (E_RNA) where: Base-Base interactions energy: -455.458 where: short stacking energy: -228.000 Base-Backbone interact. energy: -1.222 local terms energy: -283.924156 where: bonds (distance) C4'-P energy: -62.799 bonds (distance) P-C4' energy: -61.816 flat angles C4'-P-C4' energy: -69.153 flat angles P-C4'-P energy: -43.437 tors. eta vs tors. theta energy: -46.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -762.764284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.764284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.764284 (E_RNA) where: Base-Base interactions energy: -457.905 where: short stacking energy: -240.389 Base-Backbone interact. energy: -1.386 local terms energy: -303.473444 where: bonds (distance) C4'-P energy: -65.372 bonds (distance) P-C4' energy: -68.319 flat angles C4'-P-C4' energy: -72.678 flat angles P-C4'-P energy: -55.557 tors. eta vs tors. theta energy: -41.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -497.979538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.979538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.979538 (E_RNA) where: Base-Base interactions energy: -245.405 where: short stacking energy: -141.780 Base-Backbone interact. energy: -0.889 local terms energy: -251.685702 where: bonds (distance) C4'-P energy: -67.240 bonds (distance) P-C4' energy: -73.418 flat angles C4'-P-C4' energy: -63.930 flat angles P-C4'-P energy: -38.625 tors. eta vs tors. theta energy: -8.473 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: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -430.337592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.337592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.337592 (E_RNA) where: Base-Base interactions energy: -196.815 where: short stacking energy: -111.763 Base-Backbone interact. energy: -0.913 local terms energy: -232.609592 where: bonds (distance) C4'-P energy: -75.807 bonds (distance) P-C4' energy: -70.673 flat angles C4'-P-C4' energy: -55.366 flat angles P-C4'-P energy: -27.431 tors. eta vs tors. theta energy: -3.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1397.971261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.971261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.971261 (E_RNA) where: Base-Base interactions energy: -945.620 where: short stacking energy: -416.576 Base-Backbone interact. energy: 0.319 local terms energy: -452.670111 where: bonds (distance) C4'-P energy: -81.390 bonds (distance) P-C4' energy: -88.053 flat angles C4'-P-C4' energy: -95.114 flat angles P-C4'-P energy: -56.049 tors. eta vs tors. theta energy: -132.064 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: 7 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1291.999827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.999827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.999827 (E_RNA) where: Base-Base interactions energy: -894.694 where: short stacking energy: -385.312 Base-Backbone interact. energy: -2.389 local terms energy: -394.916573 where: bonds (distance) C4'-P energy: -78.823 bonds (distance) P-C4' energy: -69.815 flat angles C4'-P-C4' energy: -83.805 flat angles P-C4'-P energy: -50.544 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: 3, replica: 9 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1201.171681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.171681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.171681 (E_RNA) where: Base-Base interactions energy: -781.238 where: short stacking energy: -346.855 Base-Backbone interact. energy: -2.601 local terms energy: -417.332558 where: bonds (distance) C4'-P energy: -82.794 bonds (distance) P-C4' energy: -84.577 flat angles C4'-P-C4' energy: -87.100 flat angles P-C4'-P energy: -54.319 tors. eta vs tors. theta energy: -108.543 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: 2 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1083.217989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.217989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.217989 (E_RNA) where: Base-Base interactions energy: -698.720 where: short stacking energy: -321.467 Base-Backbone interact. energy: -1.829 local terms energy: -382.668851 where: bonds (distance) C4'-P energy: -78.391 bonds (distance) P-C4' energy: -77.090 flat angles C4'-P-C4' energy: -83.016 flat angles P-C4'-P energy: -56.068 tors. eta vs tors. theta energy: -88.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -943.407433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.407433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.407433 (E_RNA) where: Base-Base interactions energy: -614.061 where: short stacking energy: -276.787 Base-Backbone interact. energy: -2.904 local terms energy: -326.442734 where: bonds (distance) C4'-P energy: -74.465 bonds (distance) P-C4' energy: -73.875 flat angles C4'-P-C4' energy: -76.680 flat angles P-C4'-P energy: -42.004 tors. eta vs tors. theta energy: -59.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -923.968381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.968381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.968381 (E_RNA) where: Base-Base interactions energy: -600.057 where: short stacking energy: -282.580 Base-Backbone interact. energy: 0.653 local terms energy: -324.563585 where: bonds (distance) C4'-P energy: -60.892 bonds (distance) P-C4' energy: -68.237 flat angles C4'-P-C4' energy: -80.215 flat angles P-C4'-P energy: -44.195 tors. eta vs tors. theta energy: -71.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -698.618094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.618094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.618094 (E_RNA) where: Base-Base interactions energy: -429.053 where: short stacking energy: -219.788 Base-Backbone interact. energy: -1.510 local terms energy: -268.055653 where: bonds (distance) C4'-P energy: -60.126 bonds (distance) P-C4' energy: -64.503 flat angles C4'-P-C4' energy: -73.326 flat angles P-C4'-P energy: -27.593 tors. eta vs tors. theta energy: -42.508 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: 6 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -732.307718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.307718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.307718 (E_RNA) where: Base-Base interactions energy: -463.135 where: short stacking energy: -226.624 Base-Backbone interact. energy: 1.791 local terms energy: -270.963577 where: bonds (distance) C4'-P energy: -70.688 bonds (distance) P-C4' energy: -58.004 flat angles C4'-P-C4' energy: -60.785 flat angles P-C4'-P energy: -38.512 tors. eta vs tors. theta energy: -42.975 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: 318 Temperature: 1.300000 Total energy: -460.469968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.469968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.469968 (E_RNA) where: Base-Base interactions energy: -234.170 where: short stacking energy: -154.210 Base-Backbone interact. energy: 1.516 local terms energy: -227.816575 where: bonds (distance) C4'-P energy: -62.621 bonds (distance) P-C4' energy: -65.419 flat angles C4'-P-C4' energy: -54.029 flat angles P-C4'-P energy: -33.087 tors. eta vs tors. theta energy: -12.661 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: 318 Temperature: 1.350000 Total energy: -472.973732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.973732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.973732 (E_RNA) where: Base-Base interactions energy: -243.831 where: short stacking energy: -133.770 Base-Backbone interact. energy: 1.068 local terms energy: -230.211182 where: bonds (distance) C4'-P energy: -69.570 bonds (distance) P-C4' energy: -53.157 flat angles C4'-P-C4' energy: -58.712 flat angles P-C4'-P energy: -36.314 tors. eta vs tors. theta energy: -12.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1387.914625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.914625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.914625 (E_RNA) where: Base-Base interactions energy: -945.238 where: short stacking energy: -427.465 Base-Backbone interact. energy: 2.049 local terms energy: -444.725614 where: bonds (distance) C4'-P energy: -84.557 bonds (distance) P-C4' energy: -73.494 flat angles C4'-P-C4' energy: -93.671 flat angles P-C4'-P energy: -59.100 tors. eta vs tors. theta energy: -133.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1302.614365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.614365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.614365 (E_RNA) where: Base-Base interactions energy: -896.962 where: short stacking energy: -378.269 Base-Backbone interact. energy: 4.009 local terms energy: -409.661056 where: bonds (distance) C4'-P energy: -85.689 bonds (distance) P-C4' energy: -77.404 flat angles C4'-P-C4' energy: -79.951 flat angles P-C4'-P energy: -56.895 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: 3, replica: 9 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1218.818062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.818062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.818062 (E_RNA) where: Base-Base interactions energy: -799.922 where: short stacking energy: -388.748 Base-Backbone interact. energy: -1.213 local terms energy: -417.682844 where: bonds (distance) C4'-P energy: -73.539 bonds (distance) P-C4' energy: -76.122 flat angles C4'-P-C4' energy: -83.107 flat angles P-C4'-P energy: -61.649 tors. eta vs tors. theta energy: -123.265 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: 4, replica: 2 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1102.639778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.639778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.639778 (E_RNA) where: Base-Base interactions energy: -734.258 where: short stacking energy: -341.059 Base-Backbone interact. energy: -0.281 local terms energy: -368.100901 where: bonds (distance) C4'-P energy: -74.025 bonds (distance) P-C4' energy: -72.888 flat angles C4'-P-C4' energy: -75.200 flat angles P-C4'-P energy: -54.023 tors. eta vs tors. theta energy: -91.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -963.843637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.843637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.843637 (E_RNA) where: Base-Base interactions energy: -633.775 where: short stacking energy: -275.612 Base-Backbone interact. energy: -0.889 local terms energy: -329.179623 where: bonds (distance) C4'-P energy: -67.252 bonds (distance) P-C4' energy: -75.336 flat angles C4'-P-C4' energy: -85.923 flat angles P-C4'-P energy: -44.888 tors. eta vs tors. theta energy: -55.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -922.544708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.544708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.544708 (E_RNA) where: Base-Base interactions energy: -616.017 where: short stacking energy: -265.088 Base-Backbone interact. energy: -0.250 local terms energy: -306.277346 where: bonds (distance) C4'-P energy: -56.770 bonds (distance) P-C4' energy: -75.033 flat angles C4'-P-C4' energy: -73.368 flat angles P-C4'-P energy: -35.862 tors. eta vs tors. theta energy: -65.244 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: 5 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -720.623608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.623608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.623608 (E_RNA) where: Base-Base interactions energy: -423.551 where: short stacking energy: -226.034 Base-Backbone interact. energy: -0.404 local terms energy: -296.668978 where: bonds (distance) C4'-P energy: -62.967 bonds (distance) P-C4' energy: -78.141 flat angles C4'-P-C4' energy: -69.403 flat angles P-C4'-P energy: -45.020 tors. eta vs tors. theta energy: -41.137 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: 6 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -679.532419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.532419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.532419 (E_RNA) where: Base-Base interactions energy: -401.545 where: short stacking energy: -197.021 Base-Backbone interact. energy: -1.493 local terms energy: -276.494738 where: bonds (distance) C4'-P energy: -79.774 bonds (distance) P-C4' energy: -70.132 flat angles C4'-P-C4' energy: -63.945 flat angles P-C4'-P energy: -36.320 tors. eta vs tors. theta energy: -26.323 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: 3 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -461.348079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.348079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.348079 (E_RNA) where: Base-Base interactions energy: -205.864 where: short stacking energy: -113.832 Base-Backbone interact. energy: -0.508 local terms energy: -254.975145 where: bonds (distance) C4'-P energy: -68.170 bonds (distance) P-C4' energy: -67.369 flat angles C4'-P-C4' energy: -64.860 flat angles P-C4'-P energy: -45.804 tors. eta vs tors. theta energy: -8.773 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: 8 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -443.916990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.916990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.916990 (E_RNA) where: Base-Base interactions energy: -214.973 where: short stacking energy: -106.163 Base-Backbone interact. energy: -1.599 local terms energy: -227.345166 where: bonds (distance) C4'-P energy: -68.648 bonds (distance) P-C4' energy: -67.937 flat angles C4'-P-C4' energy: -63.273 flat angles P-C4'-P energy: -29.688 tors. eta vs tors. theta energy: 2.201 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: 10 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1375.439975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.439975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.439975 (E_RNA) where: Base-Base interactions energy: -935.030 where: short stacking energy: -422.739 Base-Backbone interact. energy: -0.479 local terms energy: -439.931415 where: bonds (distance) C4'-P energy: -68.055 bonds (distance) P-C4' energy: -77.872 flat angles C4'-P-C4' energy: -97.707 flat angles P-C4'-P energy: -70.859 tors. eta vs tors. theta energy: -125.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1297.481240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.481240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.481240 (E_RNA) where: Base-Base interactions energy: -883.335 where: short stacking energy: -379.544 Base-Backbone interact. energy: -2.307 local terms energy: -411.838602 where: bonds (distance) C4'-P energy: -77.850 bonds (distance) P-C4' energy: -89.792 flat angles C4'-P-C4' energy: -81.790 flat angles P-C4'-P energy: -56.627 tors. eta vs tors. theta energy: -105.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1193.716146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.716146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.716146 (E_RNA) where: Base-Base interactions energy: -795.962 where: short stacking energy: -367.839 Base-Backbone interact. energy: -1.709 local terms energy: -396.045550 where: bonds (distance) C4'-P energy: -71.918 bonds (distance) P-C4' energy: -75.807 flat angles C4'-P-C4' energy: -84.867 flat angles P-C4'-P energy: -53.085 tors. eta vs tors. theta energy: -110.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1125.446145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.446145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.446145 (E_RNA) where: Base-Base interactions energy: -755.893 where: short stacking energy: -352.244 Base-Backbone interact. energy: -1.193 local terms energy: -368.359887 where: bonds (distance) C4'-P energy: -70.804 bonds (distance) P-C4' energy: -60.120 flat angles C4'-P-C4' energy: -84.953 flat angles P-C4'-P energy: -53.012 tors. eta vs tors. theta energy: -99.471 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: 1 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -955.183281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.183281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.183281 (E_RNA) where: Base-Base interactions energy: -638.139 where: short stacking energy: -291.982 Base-Backbone interact. energy: -1.728 local terms energy: -315.316889 where: bonds (distance) C4'-P energy: -60.187 bonds (distance) P-C4' energy: -74.164 flat angles C4'-P-C4' energy: -75.103 flat angles P-C4'-P energy: -50.294 tors. eta vs tors. theta energy: -55.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -981.432389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.432389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.432389 (E_RNA) where: Base-Base interactions energy: -633.354 where: short stacking energy: -287.095 Base-Backbone interact. energy: -2.966 local terms energy: -345.112481 where: bonds (distance) C4'-P energy: -72.077 bonds (distance) P-C4' energy: -78.491 flat angles C4'-P-C4' energy: -79.874 flat angles P-C4'-P energy: -48.233 tors. eta vs tors. theta energy: -66.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -734.566333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.566333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.566333 (E_RNA) where: Base-Base interactions energy: -418.006 where: short stacking energy: -206.619 Base-Backbone interact. energy: 0.174 local terms energy: -316.734545 where: bonds (distance) C4'-P energy: -78.923 bonds (distance) P-C4' energy: -82.477 flat angles C4'-P-C4' energy: -70.080 flat angles P-C4'-P energy: -42.927 tors. eta vs tors. theta energy: -42.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -703.701692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.701692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.701692 (E_RNA) where: Base-Base interactions energy: -413.107 where: short stacking energy: -185.888 Base-Backbone interact. energy: -2.681 local terms energy: -287.913817 where: bonds (distance) C4'-P energy: -58.562 bonds (distance) P-C4' energy: -73.170 flat angles C4'-P-C4' energy: -75.287 flat angles P-C4'-P energy: -50.124 tors. eta vs tors. theta energy: -30.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -492.831534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.831534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.831534 (E_RNA) where: Base-Base interactions energy: -238.478 where: short stacking energy: -135.607 Base-Backbone interact. energy: -0.698 local terms energy: -253.656174 where: bonds (distance) C4'-P energy: -69.862 bonds (distance) P-C4' energy: -73.940 flat angles C4'-P-C4' energy: -68.150 flat angles P-C4'-P energy: -30.913 tors. eta vs tors. theta energy: -10.791 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: 10, replica: 3 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -422.035325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.035325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.035325 (E_RNA) where: Base-Base interactions energy: -195.062 where: short stacking energy: -123.311 Base-Backbone interact. energy: -1.416 local terms energy: -225.557317 where: bonds (distance) C4'-P energy: -65.382 bonds (distance) P-C4' energy: -64.840 flat angles C4'-P-C4' energy: -61.845 flat angles P-C4'-P energy: -29.389 tors. eta vs tors. theta energy: -4.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1383.748306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.748306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.748306 (E_RNA) where: Base-Base interactions energy: -939.513 where: short stacking energy: -416.236 Base-Backbone interact. energy: 2.222 local terms energy: -446.457137 where: bonds (distance) C4'-P energy: -83.617 bonds (distance) P-C4' energy: -75.001 flat angles C4'-P-C4' energy: -91.114 flat angles P-C4'-P energy: -63.511 tors. eta vs tors. theta energy: -133.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1264.593084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.593084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.593084 (E_RNA) where: Base-Base interactions energy: -860.896 where: short stacking energy: -369.468 Base-Backbone interact. energy: -1.353 local terms energy: -402.344191 where: bonds (distance) C4'-P energy: -58.809 bonds (distance) P-C4' energy: -85.047 flat angles C4'-P-C4' energy: -95.133 flat angles P-C4'-P energy: -53.435 tors. eta vs tors. theta energy: -109.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1226.016888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.016888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.016888 (E_RNA) where: Base-Base interactions energy: -818.336 where: short stacking energy: -365.439 Base-Backbone interact. energy: -2.169 local terms energy: -405.512082 where: bonds (distance) C4'-P energy: -78.194 bonds (distance) P-C4' energy: -84.201 flat angles C4'-P-C4' energy: -81.644 flat angles P-C4'-P energy: -53.384 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: 4, replica: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1061.388377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.388377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.388377 (E_RNA) where: Base-Base interactions energy: -703.844 where: short stacking energy: -315.100 Base-Backbone interact. energy: 0.987 local terms energy: -358.531510 where: bonds (distance) C4'-P energy: -77.801 bonds (distance) P-C4' energy: -65.522 flat angles C4'-P-C4' energy: -77.271 flat angles P-C4'-P energy: -56.304 tors. eta vs tors. theta energy: -81.634 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: 1 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1002.810017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.810017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.810017 (E_RNA) where: Base-Base interactions energy: -649.972 where: short stacking energy: -299.689 Base-Backbone interact. energy: -1.332 local terms energy: -351.506191 where: bonds (distance) C4'-P energy: -69.502 bonds (distance) P-C4' energy: -64.323 flat angles C4'-P-C4' energy: -91.415 flat angles P-C4'-P energy: -55.369 tors. eta vs tors. theta energy: -70.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -945.724209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.724209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.724209 (E_RNA) where: Base-Base interactions energy: -614.565 where: short stacking energy: -281.365 Base-Backbone interact. energy: -1.062 local terms energy: -330.097130 where: bonds (distance) C4'-P energy: -64.196 bonds (distance) P-C4' energy: -59.523 flat angles C4'-P-C4' energy: -78.788 flat angles P-C4'-P energy: -49.405 tors. eta vs tors. theta energy: -78.186 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: 7, replica: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -744.660325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.660325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.660325 (E_RNA) where: Base-Base interactions energy: -445.803 where: short stacking energy: -212.115 Base-Backbone interact. energy: -1.233 local terms energy: -297.624340 where: bonds (distance) C4'-P energy: -68.091 bonds (distance) P-C4' energy: -70.181 flat angles C4'-P-C4' energy: -69.485 flat angles P-C4'-P energy: -48.360 tors. eta vs tors. theta energy: -41.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -656.435068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.435068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.435068 (E_RNA) where: Base-Base interactions energy: -373.465 where: short stacking energy: -181.050 Base-Backbone interact. energy: 0.151 local terms energy: -283.120914 where: bonds (distance) C4'-P energy: -64.994 bonds (distance) P-C4' energy: -68.820 flat angles C4'-P-C4' energy: -66.487 flat angles P-C4'-P energy: -57.352 tors. eta vs tors. theta energy: -25.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -492.996515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.996515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.996515 (E_RNA) where: Base-Base interactions energy: -240.286 where: short stacking energy: -157.034 Base-Backbone interact. energy: -1.527 local terms energy: -251.183981 where: bonds (distance) C4'-P energy: -58.053 bonds (distance) P-C4' energy: -71.145 flat angles C4'-P-C4' energy: -68.187 flat angles P-C4'-P energy: -28.368 tors. eta vs tors. theta energy: -25.430 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: 3 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -474.263513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.263513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.263513 (E_RNA) where: Base-Base interactions energy: -226.685 where: short stacking energy: -110.576 Base-Backbone interact. energy: -1.189 local terms energy: -246.390365 where: bonds (distance) C4'-P energy: -69.990 bonds (distance) P-C4' energy: -64.819 flat angles C4'-P-C4' energy: -56.513 flat angles P-C4'-P energy: -43.013 tors. eta vs tors. theta energy: -12.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1378.207385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.207385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.207385 (E_RNA) where: Base-Base interactions energy: -928.722 where: short stacking energy: -433.872 Base-Backbone interact. energy: 1.937 local terms energy: -451.421930 where: bonds (distance) C4'-P energy: -88.284 bonds (distance) P-C4' energy: -88.160 flat angles C4'-P-C4' energy: -87.544 flat angles P-C4'-P energy: -56.083 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: 2, replica: 7 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1294.843493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.843493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.843493 (E_RNA) where: Base-Base interactions energy: -887.364 where: short stacking energy: -386.918 Base-Backbone interact. energy: -3.591 local terms energy: -403.888523 where: bonds (distance) C4'-P energy: -70.552 bonds (distance) P-C4' energy: -78.971 flat angles C4'-P-C4' energy: -82.673 flat angles P-C4'-P energy: -57.230 tors. eta vs tors. theta energy: -114.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1232.141114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.141114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.141114 (E_RNA) where: Base-Base interactions energy: -809.530 where: short stacking energy: -358.449 Base-Backbone interact. energy: -0.758 local terms energy: -421.853545 where: bonds (distance) C4'-P energy: -79.763 bonds (distance) P-C4' energy: -84.496 flat angles C4'-P-C4' energy: -83.978 flat angles P-C4'-P energy: -56.978 tors. eta vs tors. theta energy: -116.638 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: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1054.454030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.454030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.454030 (E_RNA) where: Base-Base interactions energy: -678.301 where: short stacking energy: -307.407 Base-Backbone interact. energy: 0.933 local terms energy: -377.086576 where: bonds (distance) C4'-P energy: -82.683 bonds (distance) P-C4' energy: -71.782 flat angles C4'-P-C4' energy: -79.196 flat angles P-C4'-P energy: -53.836 tors. eta vs tors. theta energy: -89.590 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: 4 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1004.042087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.042087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.042087 (E_RNA) where: Base-Base interactions energy: -665.418 where: short stacking energy: -298.431 Base-Backbone interact. energy: -0.990 local terms energy: -337.634719 where: bonds (distance) C4'-P energy: -70.771 bonds (distance) P-C4' energy: -65.897 flat angles C4'-P-C4' energy: -79.514 flat angles P-C4'-P energy: -38.868 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: 6, replica: 1 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -968.493877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.493877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.493877 (E_RNA) where: Base-Base interactions energy: -648.362 where: short stacking energy: -297.756 Base-Backbone interact. energy: -0.500 local terms energy: -319.631565 where: bonds (distance) C4'-P energy: -64.944 bonds (distance) P-C4' energy: -72.938 flat angles C4'-P-C4' energy: -78.935 flat angles P-C4'-P energy: -32.074 tors. eta vs tors. theta energy: -70.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -786.169848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.169848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.169848 (E_RNA) where: Base-Base interactions energy: -473.675 where: short stacking energy: -243.736 Base-Backbone interact. energy: -0.394 local terms energy: -312.100690 where: bonds (distance) C4'-P energy: -77.126 bonds (distance) P-C4' energy: -83.196 flat angles C4'-P-C4' energy: -64.725 flat angles P-C4'-P energy: -43.552 tors. eta vs tors. theta energy: -43.501 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: 5 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -672.248230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.248230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.248230 (E_RNA) where: Base-Base interactions energy: -373.060 where: short stacking energy: -199.485 Base-Backbone interact. energy: -0.934 local terms energy: -298.253763 where: bonds (distance) C4'-P energy: -71.376 bonds (distance) P-C4' energy: -68.429 flat angles C4'-P-C4' energy: -65.826 flat angles P-C4'-P energy: -40.847 tors. eta vs tors. theta energy: -51.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -560.421567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.421567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.421567 (E_RNA) where: Base-Base interactions energy: -305.767 where: short stacking energy: -159.529 Base-Backbone interact. energy: -1.439 local terms energy: -253.215430 where: bonds (distance) C4'-P energy: -57.302 bonds (distance) P-C4' energy: -73.617 flat angles C4'-P-C4' energy: -62.250 flat angles P-C4'-P energy: -40.731 tors. eta vs tors. theta energy: -19.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -498.944475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.944475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.944475 (E_RNA) where: Base-Base interactions energy: -254.626 where: short stacking energy: -152.862 Base-Backbone interact. energy: 1.595 local terms energy: -245.913413 where: bonds (distance) C4'-P energy: -68.928 bonds (distance) P-C4' energy: -67.297 flat angles C4'-P-C4' energy: -55.956 flat angles P-C4'-P energy: -35.466 tors. eta vs tors. theta energy: -18.266 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: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1392.389959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.389959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.389959 (E_RNA) where: Base-Base interactions energy: -938.929 where: short stacking energy: -434.934 Base-Backbone interact. energy: -1.723 local terms energy: -451.737663 where: bonds (distance) C4'-P energy: -78.027 bonds (distance) P-C4' energy: -84.786 flat angles C4'-P-C4' energy: -88.895 flat angles P-C4'-P energy: -62.386 tors. eta vs tors. theta energy: -137.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1280.823524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.823524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.823524 (E_RNA) where: Base-Base interactions energy: -877.032 where: short stacking energy: -376.976 Base-Backbone interact. energy: -2.571 local terms energy: -401.221447 where: bonds (distance) C4'-P energy: -83.732 bonds (distance) P-C4' energy: -71.315 flat angles C4'-P-C4' energy: -81.142 flat angles P-C4'-P energy: -53.774 tors. eta vs tors. theta energy: -111.258 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: 323 Temperature: 1.000000 Total energy: -1185.486248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.486248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.486248 (E_RNA) where: Base-Base interactions energy: -780.059 where: short stacking energy: -359.527 Base-Backbone interact. energy: 1.184 local terms energy: -406.610980 where: bonds (distance) C4'-P energy: -72.972 bonds (distance) P-C4' energy: -79.841 flat angles C4'-P-C4' energy: -95.259 flat angles P-C4'-P energy: -53.885 tors. eta vs tors. theta energy: -104.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1100.334652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.334652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.334652 (E_RNA) where: Base-Base interactions energy: -724.722 where: short stacking energy: -330.781 Base-Backbone interact. energy: -0.251 local terms energy: -375.362042 where: bonds (distance) C4'-P energy: -65.005 bonds (distance) P-C4' energy: -69.004 flat angles C4'-P-C4' energy: -91.488 flat angles P-C4'-P energy: -64.332 tors. eta vs tors. theta energy: -85.532 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: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -999.363626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.363626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.363626 (E_RNA) where: Base-Base interactions energy: -644.293 where: short stacking energy: -284.435 Base-Backbone interact. energy: -1.805 local terms energy: -353.265505 where: bonds (distance) C4'-P energy: -74.215 bonds (distance) P-C4' energy: -76.825 flat angles C4'-P-C4' energy: -65.546 flat angles P-C4'-P energy: -46.253 tors. eta vs tors. theta energy: -90.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -953.086081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.086081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.086081 (E_RNA) where: Base-Base interactions energy: -633.618 where: short stacking energy: -279.135 Base-Backbone interact. energy: -1.875 local terms energy: -317.593047 where: bonds (distance) C4'-P energy: -76.775 bonds (distance) P-C4' energy: -65.344 flat angles C4'-P-C4' energy: -74.904 flat angles P-C4'-P energy: -46.769 tors. eta vs tors. theta energy: -53.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -839.727050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.727050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.727050 (E_RNA) where: Base-Base interactions energy: -533.868 where: short stacking energy: -242.535 Base-Backbone interact. energy: 2.308 local terms energy: -308.167057 where: bonds (distance) C4'-P energy: -69.846 bonds (distance) P-C4' energy: -74.645 flat angles C4'-P-C4' energy: -58.521 flat angles P-C4'-P energy: -51.721 tors. eta vs tors. theta energy: -53.434 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: 5 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -699.650833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.650833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.650833 (E_RNA) where: Base-Base interactions energy: -407.933 where: short stacking energy: -213.109 Base-Backbone interact. energy: 3.050 local terms energy: -294.767154 where: bonds (distance) C4'-P energy: -77.277 bonds (distance) P-C4' energy: -68.392 flat angles C4'-P-C4' energy: -62.844 flat angles P-C4'-P energy: -43.690 tors. eta vs tors. theta energy: -42.564 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: 9, replica: 3 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -551.180001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.180001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.180001 (E_RNA) where: Base-Base interactions energy: -302.708 where: short stacking energy: -146.362 Base-Backbone interact. energy: 3.450 local terms energy: -251.921694 where: bonds (distance) C4'-P energy: -66.629 bonds (distance) P-C4' energy: -75.789 flat angles C4'-P-C4' energy: -59.160 flat angles P-C4'-P energy: -35.904 tors. eta vs tors. theta energy: -14.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -497.947921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.947921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.947921 (E_RNA) where: Base-Base interactions energy: -255.094 where: short stacking energy: -155.735 Base-Backbone interact. energy: 1.176 local terms energy: -244.029731 where: bonds (distance) C4'-P energy: -68.905 bonds (distance) P-C4' energy: -69.932 flat angles C4'-P-C4' energy: -57.434 flat angles P-C4'-P energy: -31.710 tors. eta vs tors. theta energy: -16.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1385.566997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.566997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.566997 (E_RNA) where: Base-Base interactions energy: -942.155 where: short stacking energy: -419.910 Base-Backbone interact. energy: -0.505 local terms energy: -442.906355 where: bonds (distance) C4'-P energy: -82.228 bonds (distance) P-C4' energy: -73.896 flat angles C4'-P-C4' energy: -96.369 flat angles P-C4'-P energy: -61.243 tors. eta vs tors. theta energy: -129.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1318.795638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.795638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.795638 (E_RNA) where: Base-Base interactions energy: -910.803 where: short stacking energy: -388.299 Base-Backbone interact. energy: -1.444 local terms energy: -406.548330 where: bonds (distance) C4'-P energy: -71.448 bonds (distance) P-C4' energy: -83.287 flat angles C4'-P-C4' energy: -91.618 flat angles P-C4'-P energy: -49.166 tors. eta vs tors. theta energy: -111.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1203.862074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.862074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.862074 (E_RNA) where: Base-Base interactions energy: -812.368 where: short stacking energy: -360.577 Base-Backbone interact. energy: 1.199 local terms energy: -392.692697 where: bonds (distance) C4'-P energy: -81.719 bonds (distance) P-C4' energy: -68.758 flat angles C4'-P-C4' energy: -87.538 flat angles P-C4'-P energy: -50.516 tors. eta vs tors. theta energy: -104.163 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: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1099.202174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.202174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.202174 (E_RNA) where: Base-Base interactions energy: -721.333 where: short stacking energy: -323.854 Base-Backbone interact. energy: -2.940 local terms energy: -374.928991 where: bonds (distance) C4'-P energy: -82.036 bonds (distance) P-C4' energy: -79.242 flat angles C4'-P-C4' energy: -77.847 flat angles P-C4'-P energy: -49.973 tors. eta vs tors. theta energy: -85.831 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: 4 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -977.376312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.376312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.376312 (E_RNA) where: Base-Base interactions energy: -653.835 where: short stacking energy: -284.456 Base-Backbone interact. energy: 0.055 local terms energy: -323.596636 where: bonds (distance) C4'-P energy: -62.943 bonds (distance) P-C4' energy: -69.105 flat angles C4'-P-C4' energy: -66.675 flat angles P-C4'-P energy: -47.579 tors. eta vs tors. theta energy: -77.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -945.539366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.539366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.539366 (E_RNA) where: Base-Base interactions energy: -615.631 where: short stacking energy: -286.894 Base-Backbone interact. energy: -0.539 local terms energy: -329.369483 where: bonds (distance) C4'-P energy: -70.240 bonds (distance) P-C4' energy: -75.071 flat angles C4'-P-C4' energy: -76.534 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: -63.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -820.346956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.346956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.346956 (E_RNA) where: Base-Base interactions energy: -504.915 where: short stacking energy: -248.379 Base-Backbone interact. energy: -0.217 local terms energy: -315.214593 where: bonds (distance) C4'-P energy: -66.921 bonds (distance) P-C4' energy: -64.307 flat angles C4'-P-C4' energy: -68.172 flat angles P-C4'-P energy: -46.990 tors. eta vs tors. theta energy: -68.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -673.712763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.712763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.712763 (E_RNA) where: Base-Base interactions energy: -376.813 where: short stacking energy: -172.068 Base-Backbone interact. energy: -1.279 local terms energy: -295.620681 where: bonds (distance) C4'-P energy: -78.432 bonds (distance) P-C4' energy: -70.498 flat angles C4'-P-C4' energy: -70.700 flat angles P-C4'-P energy: -42.308 tors. eta vs tors. theta energy: -33.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -550.859798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.859798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.859798 (E_RNA) where: Base-Base interactions energy: -300.289 where: short stacking energy: -152.782 Base-Backbone interact. energy: 0.456 local terms energy: -251.026732 where: bonds (distance) C4'-P energy: -64.050 bonds (distance) P-C4' energy: -71.655 flat angles C4'-P-C4' energy: -63.812 flat angles P-C4'-P energy: -42.296 tors. eta vs tors. theta energy: -9.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -471.069056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.069056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.069056 (E_RNA) where: Base-Base interactions energy: -238.498 where: short stacking energy: -128.096 Base-Backbone interact. energy: 0.117 local terms energy: -232.688115 where: bonds (distance) C4'-P energy: -65.620 bonds (distance) P-C4' energy: -65.470 flat angles C4'-P-C4' energy: -56.140 flat angles P-C4'-P energy: -43.301 tors. eta vs tors. theta energy: -2.157 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: 1, replica: 10 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1402.641478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.641478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.641478 (E_RNA) where: Base-Base interactions energy: -963.317 where: short stacking energy: -420.559 Base-Backbone interact. energy: 0.282 local terms energy: -439.605932 where: bonds (distance) C4'-P energy: -74.430 bonds (distance) P-C4' energy: -83.350 flat angles C4'-P-C4' energy: -91.893 flat angles P-C4'-P energy: -60.928 tors. eta vs tors. theta energy: -129.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1314.612167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.612167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.612167 (E_RNA) where: Base-Base interactions energy: -904.164 where: short stacking energy: -396.078 Base-Backbone interact. energy: -2.768 local terms energy: -407.680118 where: bonds (distance) C4'-P energy: -76.270 bonds (distance) P-C4' energy: -76.572 flat angles C4'-P-C4' energy: -82.655 flat angles P-C4'-P energy: -65.151 tors. eta vs tors. theta energy: -107.033 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: 9 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1176.796898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.796898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.796898 (E_RNA) where: Base-Base interactions energy: -747.373 where: short stacking energy: -351.037 Base-Backbone interact. energy: 1.202 local terms energy: -430.625089 where: bonds (distance) C4'-P energy: -79.442 bonds (distance) P-C4' energy: -77.730 flat angles C4'-P-C4' energy: -93.954 flat angles P-C4'-P energy: -63.325 tors. eta vs tors. theta energy: -116.173 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: 2 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1109.129835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.129835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.129835 (E_RNA) where: Base-Base interactions energy: -746.522 where: short stacking energy: -335.352 Base-Backbone interact. energy: -0.282 local terms energy: -362.326182 where: bonds (distance) C4'-P energy: -68.837 bonds (distance) P-C4' energy: -69.006 flat angles C4'-P-C4' energy: -74.460 flat angles P-C4'-P energy: -56.932 tors. eta vs tors. theta energy: -93.091 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: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1010.055071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.055071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.055071 (E_RNA) where: Base-Base interactions energy: -643.832 where: short stacking energy: -304.269 Base-Backbone interact. energy: 2.063 local terms energy: -368.285993 where: bonds (distance) C4'-P energy: -61.545 bonds (distance) P-C4' energy: -81.044 flat angles C4'-P-C4' energy: -83.962 flat angles P-C4'-P energy: -57.805 tors. eta vs tors. theta energy: -83.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -959.337858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.337858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.337858 (E_RNA) where: Base-Base interactions energy: -625.535 where: short stacking energy: -254.605 Base-Backbone interact. energy: -1.093 local terms energy: -332.709658 where: bonds (distance) C4'-P energy: -67.696 bonds (distance) P-C4' energy: -72.098 flat angles C4'-P-C4' energy: -73.235 flat angles P-C4'-P energy: -44.978 tors. eta vs tors. theta energy: -74.702 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: 6 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -813.773499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.773499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.773499 (E_RNA) where: Base-Base interactions energy: -527.231 where: short stacking energy: -227.964 Base-Backbone interact. energy: 1.855 local terms energy: -288.398482 where: bonds (distance) C4'-P energy: -62.661 bonds (distance) P-C4' energy: -76.896 flat angles C4'-P-C4' energy: -65.799 flat angles P-C4'-P energy: -39.064 tors. eta vs tors. theta energy: -43.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -653.040466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.040466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.040466 (E_RNA) where: Base-Base interactions energy: -392.242 where: short stacking energy: -196.102 Base-Backbone interact. energy: 0.378 local terms energy: -261.176992 where: bonds (distance) C4'-P energy: -66.469 bonds (distance) P-C4' energy: -57.855 flat angles C4'-P-C4' energy: -71.729 flat angles P-C4'-P energy: -42.380 tors. eta vs tors. theta energy: -22.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -567.334025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.334025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.334025 (E_RNA) where: Base-Base interactions energy: -299.266 where: short stacking energy: -172.285 Base-Backbone interact. energy: -1.019 local terms energy: -267.048685 where: bonds (distance) C4'-P energy: -73.156 bonds (distance) P-C4' energy: -63.521 flat angles C4'-P-C4' energy: -54.106 flat angles P-C4'-P energy: -46.351 tors. eta vs tors. theta energy: -29.915 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: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -476.673599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.673599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.673599 (E_RNA) where: Base-Base interactions energy: -225.341 where: short stacking energy: -142.656 Base-Backbone interact. energy: -0.697 local terms energy: -250.634796 where: bonds (distance) C4'-P energy: -58.475 bonds (distance) P-C4' energy: -71.632 flat angles C4'-P-C4' energy: -58.292 flat angles P-C4'-P energy: -43.157 tors. eta vs tors. theta energy: -19.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1379.747362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.747362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.747362 (E_RNA) where: Base-Base interactions energy: -944.526 where: short stacking energy: -434.080 Base-Backbone interact. energy: -1.550 local terms energy: -433.671493 where: bonds (distance) C4'-P energy: -81.722 bonds (distance) P-C4' energy: -68.985 flat angles C4'-P-C4' energy: -92.519 flat angles P-C4'-P energy: -58.935 tors. eta vs tors. theta energy: -131.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1282.206591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.206591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.206591 (E_RNA) where: Base-Base interactions energy: -887.965 where: short stacking energy: -368.876 Base-Backbone interact. energy: 4.468 local terms energy: -398.709751 where: bonds (distance) C4'-P energy: -69.521 bonds (distance) P-C4' energy: -75.928 flat angles C4'-P-C4' energy: -87.427 flat angles P-C4'-P energy: -58.441 tors. eta vs tors. theta energy: -107.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1212.383856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.383856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.383856 (E_RNA) where: Base-Base interactions energy: -798.081 where: short stacking energy: -359.683 Base-Backbone interact. energy: 7.330 local terms energy: -421.632170 where: bonds (distance) C4'-P energy: -78.071 bonds (distance) P-C4' energy: -88.746 flat angles C4'-P-C4' energy: -84.154 flat angles P-C4'-P energy: -54.879 tors. eta vs tors. theta energy: -115.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1097.992192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.992192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.992192 (E_RNA) where: Base-Base interactions energy: -725.238 where: short stacking energy: -318.637 Base-Backbone interact. energy: -1.648 local terms energy: -371.106925 where: bonds (distance) C4'-P energy: -82.983 bonds (distance) P-C4' energy: -69.553 flat angles C4'-P-C4' energy: -82.992 flat angles P-C4'-P energy: -55.311 tors. eta vs tors. theta energy: -80.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1002.342362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.342362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.342362 (E_RNA) where: Base-Base interactions energy: -637.117 where: short stacking energy: -273.180 Base-Backbone interact. energy: -0.689 local terms energy: -364.536465 where: bonds (distance) C4'-P energy: -74.714 bonds (distance) P-C4' energy: -80.657 flat angles C4'-P-C4' energy: -73.126 flat angles P-C4'-P energy: -52.938 tors. eta vs tors. theta energy: -83.101 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: 326 Temperature: 1.150000 Total energy: -903.702828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.702828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.702828 (E_RNA) where: Base-Base interactions energy: -585.864 where: short stacking energy: -282.879 Base-Backbone interact. energy: -0.927 local terms energy: -316.912079 where: bonds (distance) C4'-P energy: -74.831 bonds (distance) P-C4' energy: -79.288 flat angles C4'-P-C4' energy: -69.408 flat angles P-C4'-P energy: -31.215 tors. eta vs tors. theta energy: -62.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -803.410647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.410647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.410647 (E_RNA) where: Base-Base interactions energy: -513.387 where: short stacking energy: -231.493 Base-Backbone interact. energy: -0.053 local terms energy: -289.970959 where: bonds (distance) C4'-P energy: -59.842 bonds (distance) P-C4' energy: -71.751 flat angles C4'-P-C4' energy: -71.943 flat angles P-C4'-P energy: -44.428 tors. eta vs tors. theta energy: -42.008 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: 8, replica: 5 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -630.276405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.276405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.276405 (E_RNA) where: Base-Base interactions energy: -373.268 where: short stacking energy: -176.024 Base-Backbone interact. energy: -1.677 local terms energy: -255.331588 where: bonds (distance) C4'-P energy: -57.878 bonds (distance) P-C4' energy: -78.147 flat angles C4'-P-C4' energy: -61.706 flat angles P-C4'-P energy: -39.050 tors. eta vs tors. theta energy: -18.551 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: 3 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -547.775130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.775130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.775130 (E_RNA) where: Base-Base interactions energy: -294.181 where: short stacking energy: -171.006 Base-Backbone interact. energy: -0.267 local terms energy: -253.327119 where: bonds (distance) C4'-P energy: -65.307 bonds (distance) P-C4' energy: -53.639 flat angles C4'-P-C4' energy: -65.973 flat angles P-C4'-P energy: -42.358 tors. eta vs tors. theta energy: -26.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -468.294096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.294096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.294096 (E_RNA) where: Base-Base interactions energy: -249.234 where: short stacking energy: -126.914 Base-Backbone interact. energy: 1.054 local terms energy: -220.113601 where: bonds (distance) C4'-P energy: -61.527 bonds (distance) P-C4' energy: -66.856 flat angles C4'-P-C4' energy: -60.782 flat angles P-C4'-P energy: -33.613 tors. eta vs tors. theta energy: 2.665 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: 10 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1376.079969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.079969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.079969 (E_RNA) where: Base-Base interactions energy: -934.894 where: short stacking energy: -414.807 Base-Backbone interact. energy: -1.456 local terms energy: -439.730254 where: bonds (distance) C4'-P energy: -76.457 bonds (distance) P-C4' energy: -85.270 flat angles C4'-P-C4' energy: -85.398 flat angles P-C4'-P energy: -64.230 tors. eta vs tors. theta energy: -128.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1291.199394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.199394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.199394 (E_RNA) where: Base-Base interactions energy: -873.225 where: short stacking energy: -371.268 Base-Backbone interact. energy: -1.764 local terms energy: -416.209889 where: bonds (distance) C4'-P energy: -80.712 bonds (distance) P-C4' energy: -78.077 flat angles C4'-P-C4' energy: -93.179 flat angles P-C4'-P energy: -53.537 tors. eta vs tors. theta energy: -110.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1248.947025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.947025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.947025 (E_RNA) where: Base-Base interactions energy: -827.286 where: short stacking energy: -399.236 Base-Backbone interact. energy: -1.119 local terms energy: -420.542063 where: bonds (distance) C4'-P energy: -72.020 bonds (distance) P-C4' energy: -78.610 flat angles C4'-P-C4' energy: -95.262 flat angles P-C4'-P energy: -54.343 tors. eta vs tors. theta energy: -120.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1064.053769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.053769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.053769 (E_RNA) where: Base-Base interactions energy: -698.591 where: short stacking energy: -279.249 Base-Backbone interact. energy: -0.497 local terms energy: -364.966378 where: bonds (distance) C4'-P energy: -55.549 bonds (distance) P-C4' energy: -84.084 flat angles C4'-P-C4' energy: -90.202 flat angles P-C4'-P energy: -52.951 tors. eta vs tors. theta energy: -82.179 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: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1000.963706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.963706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.963706 (E_RNA) where: Base-Base interactions energy: -645.794 where: short stacking energy: -311.801 Base-Backbone interact. energy: 0.025 local terms energy: -355.194413 where: bonds (distance) C4'-P energy: -77.203 bonds (distance) P-C4' energy: -76.992 flat angles C4'-P-C4' energy: -63.603 flat angles P-C4'-P energy: -44.477 tors. eta vs tors. theta energy: -92.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -889.498705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.498705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.498705 (E_RNA) where: Base-Base interactions energy: -575.490 where: short stacking energy: -271.237 Base-Backbone interact. energy: -0.702 local terms energy: -313.306343 where: bonds (distance) C4'-P energy: -47.994 bonds (distance) P-C4' energy: -71.161 flat angles C4'-P-C4' energy: -83.326 flat angles P-C4'-P energy: -37.359 tors. eta vs tors. theta energy: -73.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -788.652928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.652928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.652928 (E_RNA) where: Base-Base interactions energy: -486.421 where: short stacking energy: -230.002 Base-Backbone interact. energy: -0.315 local terms energy: -301.916764 where: bonds (distance) C4'-P energy: -54.671 bonds (distance) P-C4' energy: -88.926 flat angles C4'-P-C4' energy: -66.346 flat angles P-C4'-P energy: -43.829 tors. eta vs tors. theta energy: -48.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -609.149821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.149821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.149821 (E_RNA) where: Base-Base interactions energy: -340.162 where: short stacking energy: -191.457 Base-Backbone interact. energy: 0.257 local terms energy: -269.244666 where: bonds (distance) C4'-P energy: -66.296 bonds (distance) P-C4' energy: -71.692 flat angles C4'-P-C4' energy: -52.036 flat angles P-C4'-P energy: -39.840 tors. eta vs tors. theta energy: -39.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -635.100901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.100901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.100901 (E_RNA) where: Base-Base interactions energy: -384.701 where: short stacking energy: -177.931 Base-Backbone interact. energy: -1.254 local terms energy: -249.146126 where: bonds (distance) C4'-P energy: -70.325 bonds (distance) P-C4' energy: -58.561 flat angles C4'-P-C4' energy: -61.808 flat angles P-C4'-P energy: -26.302 tors. eta vs tors. theta energy: -32.151 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: 327 Temperature: 1.350000 Total energy: -473.833056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.833056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.833056 (E_RNA) where: Base-Base interactions energy: -224.396 where: short stacking energy: -130.480 Base-Backbone interact. energy: -2.606 local terms energy: -246.830663 where: bonds (distance) C4'-P energy: -81.955 bonds (distance) P-C4' energy: -63.600 flat angles C4'-P-C4' energy: -54.608 flat angles P-C4'-P energy: -35.075 tors. eta vs tors. theta energy: -11.592 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: 10 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1377.204205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.204205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.204205 (E_RNA) where: Base-Base interactions energy: -944.157 where: short stacking energy: -428.184 Base-Backbone interact. energy: -2.917 local terms energy: -430.129700 where: bonds (distance) C4'-P energy: -74.258 bonds (distance) P-C4' energy: -75.092 flat angles C4'-P-C4' energy: -92.452 flat angles P-C4'-P energy: -58.781 tors. eta vs tors. theta energy: -129.547 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: 7 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1297.862096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.862096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.862096 (E_RNA) where: Base-Base interactions energy: -880.029 where: short stacking energy: -376.759 Base-Backbone interact. energy: -1.009 local terms energy: -416.823426 where: bonds (distance) C4'-P energy: -73.569 bonds (distance) P-C4' energy: -78.746 flat angles C4'-P-C4' energy: -84.033 flat angles P-C4'-P energy: -63.696 tors. eta vs tors. theta energy: -116.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1227.617720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.617720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.617720 (E_RNA) where: Base-Base interactions energy: -815.101 where: short stacking energy: -366.698 Base-Backbone interact. energy: -1.251 local terms energy: -411.265150 where: bonds (distance) C4'-P energy: -75.068 bonds (distance) P-C4' energy: -70.616 flat angles C4'-P-C4' energy: -96.667 flat angles P-C4'-P energy: -58.582 tors. eta vs tors. theta energy: -110.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1023.494754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.494754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.494754 (E_RNA) where: Base-Base interactions energy: -647.165 where: short stacking energy: -321.616 Base-Backbone interact. energy: -1.467 local terms energy: -374.862761 where: bonds (distance) C4'-P energy: -74.293 bonds (distance) P-C4' energy: -87.109 flat angles C4'-P-C4' energy: -79.711 flat angles P-C4'-P energy: -48.984 tors. eta vs tors. theta energy: -84.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1016.641265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.641265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.641265 (E_RNA) where: Base-Base interactions energy: -666.474 where: short stacking energy: -317.702 Base-Backbone interact. energy: -1.491 local terms energy: -348.676618 where: bonds (distance) C4'-P energy: -62.514 bonds (distance) P-C4' energy: -57.397 flat angles C4'-P-C4' energy: -78.691 flat angles P-C4'-P energy: -54.462 tors. eta vs tors. theta energy: -95.612 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: 1 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -896.750982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.750982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.750982 (E_RNA) where: Base-Base interactions energy: -559.922 where: short stacking energy: -257.984 Base-Backbone interact. energy: 1.576 local terms energy: -338.405027 where: bonds (distance) C4'-P energy: -82.022 bonds (distance) P-C4' energy: -72.908 flat angles C4'-P-C4' energy: -70.122 flat angles P-C4'-P energy: -55.505 tors. eta vs tors. theta energy: -57.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -762.224712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.224712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.224712 (E_RNA) where: Base-Base interactions energy: -464.110 where: short stacking energy: -243.785 Base-Backbone interact. energy: -0.851 local terms energy: -297.263135 where: bonds (distance) C4'-P energy: -62.539 bonds (distance) P-C4' energy: -68.929 flat angles C4'-P-C4' energy: -62.440 flat angles P-C4'-P energy: -47.698 tors. eta vs tors. theta energy: -55.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -576.324964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.324964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.324964 (E_RNA) where: Base-Base interactions energy: -311.939 where: short stacking energy: -142.702 Base-Backbone interact. energy: 3.290 local terms energy: -267.675974 where: bonds (distance) C4'-P energy: -61.876 bonds (distance) P-C4' energy: -74.187 flat angles C4'-P-C4' energy: -74.569 flat angles P-C4'-P energy: -46.740 tors. eta vs tors. theta energy: -10.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -644.983611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.983611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.983611 (E_RNA) where: Base-Base interactions energy: -359.631 where: short stacking energy: -174.596 Base-Backbone interact. energy: -2.113 local terms energy: -283.239724 where: bonds (distance) C4'-P energy: -69.856 bonds (distance) P-C4' energy: -73.641 flat angles C4'-P-C4' energy: -63.748 flat angles P-C4'-P energy: -48.680 tors. eta vs tors. theta energy: -27.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -426.608503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.608503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.608503 (E_RNA) where: Base-Base interactions energy: -215.258 where: short stacking energy: -123.560 Base-Backbone interact. energy: -1.198 local terms energy: -210.152629 where: bonds (distance) C4'-P energy: -67.407 bonds (distance) P-C4' energy: -61.678 flat angles C4'-P-C4' energy: -51.020 flat angles P-C4'-P energy: -36.601 tors. eta vs tors. theta energy: 6.554 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: 10 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1391.100675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.100675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.100675 (E_RNA) where: Base-Base interactions energy: -935.493 where: short stacking energy: -428.185 Base-Backbone interact. energy: -1.006 local terms energy: -454.601283 where: bonds (distance) C4'-P energy: -74.732 bonds (distance) P-C4' energy: -90.884 flat angles C4'-P-C4' energy: -87.323 flat angles P-C4'-P energy: -64.261 tors. eta vs tors. theta energy: -137.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1285.996905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.996905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.996905 (E_RNA) where: Base-Base interactions energy: -864.864 where: short stacking energy: -379.171 Base-Backbone interact. energy: -3.741 local terms energy: -417.392049 where: bonds (distance) C4'-P energy: -72.814 bonds (distance) P-C4' energy: -85.622 flat angles C4'-P-C4' energy: -85.729 flat angles P-C4'-P energy: -59.206 tors. eta vs tors. theta energy: -114.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1216.139299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.139299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.139299 (E_RNA) where: Base-Base interactions energy: -816.318 where: short stacking energy: -371.673 Base-Backbone interact. energy: -1.438 local terms energy: -398.383844 where: bonds (distance) C4'-P energy: -65.688 bonds (distance) P-C4' energy: -87.684 flat angles C4'-P-C4' energy: -84.013 flat angles P-C4'-P energy: -57.081 tors. eta vs tors. theta energy: -103.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -994.777952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.777952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.777952 (E_RNA) where: Base-Base interactions energy: -656.595 where: short stacking energy: -314.699 Base-Backbone interact. energy: -1.004 local terms energy: -337.178975 where: bonds (distance) C4'-P energy: -65.099 bonds (distance) P-C4' energy: -76.563 flat angles C4'-P-C4' energy: -69.924 flat angles P-C4'-P energy: -50.029 tors. eta vs tors. theta energy: -75.564 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: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -995.606923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.606923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.606923 (E_RNA) where: Base-Base interactions energy: -636.119 where: short stacking energy: -282.588 Base-Backbone interact. energy: 1.039 local terms energy: -360.526119 where: bonds (distance) C4'-P energy: -74.579 bonds (distance) P-C4' energy: -72.509 flat angles C4'-P-C4' energy: -80.499 flat angles P-C4'-P energy: -50.779 tors. eta vs tors. theta energy: -82.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -914.238313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.238313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.238313 (E_RNA) where: Base-Base interactions energy: -564.840 where: short stacking energy: -279.376 Base-Backbone interact. energy: -0.333 local terms energy: -349.065437 where: bonds (distance) C4'-P energy: -71.591 bonds (distance) P-C4' energy: -79.844 flat angles C4'-P-C4' energy: -81.354 flat angles P-C4'-P energy: -46.564 tors. eta vs tors. theta energy: -69.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -799.355855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.355855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.355855 (E_RNA) where: Base-Base interactions energy: -474.570 where: short stacking energy: -235.344 Base-Backbone interact. energy: 0.588 local terms energy: -325.374455 where: bonds (distance) C4'-P energy: -69.347 bonds (distance) P-C4' energy: -86.132 flat angles C4'-P-C4' energy: -67.771 flat angles P-C4'-P energy: -42.943 tors. eta vs tors. theta energy: -59.181 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: 8, replica: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -668.773528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.773528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.773528 (E_RNA) where: Base-Base interactions energy: -367.623 where: short stacking energy: -174.039 Base-Backbone interact. energy: -1.377 local terms energy: -299.774294 where: bonds (distance) C4'-P energy: -70.464 bonds (distance) P-C4' energy: -80.811 flat angles C4'-P-C4' energy: -76.202 flat angles P-C4'-P energy: -46.679 tors. eta vs tors. theta energy: -25.617 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: 3 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -558.547873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.547873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.547873 (E_RNA) where: Base-Base interactions energy: -300.735 where: short stacking energy: -152.801 Base-Backbone interact. energy: -0.050 local terms energy: -257.763160 where: bonds (distance) C4'-P energy: -63.101 bonds (distance) P-C4' energy: -71.190 flat angles C4'-P-C4' energy: -73.917 flat angles P-C4'-P energy: -36.036 tors. eta vs tors. theta energy: -13.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -404.348172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.348172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.348172 (E_RNA) where: Base-Base interactions energy: -205.887 where: short stacking energy: -105.361 Base-Backbone interact. energy: -1.862 local terms energy: -196.598264 where: bonds (distance) C4'-P energy: -51.951 bonds (distance) P-C4' energy: -62.723 flat angles C4'-P-C4' energy: -52.858 flat angles P-C4'-P energy: -46.135 tors. eta vs tors. theta energy: 17.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1388.029285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.029285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.029285 (E_RNA) where: Base-Base interactions energy: -949.090 where: short stacking energy: -416.775 Base-Backbone interact. energy: -0.657 local terms energy: -438.281941 where: bonds (distance) C4'-P energy: -78.755 bonds (distance) P-C4' energy: -78.606 flat angles C4'-P-C4' energy: -84.929 flat angles P-C4'-P energy: -71.675 tors. eta vs tors. theta energy: -124.317 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: 2, replica: 7 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1281.345379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.345379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.345379 (E_RNA) where: Base-Base interactions energy: -883.440 where: short stacking energy: -383.528 Base-Backbone interact. energy: 1.275 local terms energy: -399.180867 where: bonds (distance) C4'-P energy: -65.421 bonds (distance) P-C4' energy: -83.026 flat angles C4'-P-C4' energy: -85.868 flat angles P-C4'-P energy: -56.584 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: 3, replica: 9 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1208.205372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.205372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.205372 (E_RNA) where: Base-Base interactions energy: -801.260 where: short stacking energy: -363.144 Base-Backbone interact. energy: -1.195 local terms energy: -405.750514 where: bonds (distance) C4'-P energy: -78.057 bonds (distance) P-C4' energy: -67.751 flat angles C4'-P-C4' energy: -87.601 flat angles P-C4'-P energy: -60.045 tors. eta vs tors. theta energy: -112.297 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: 330 Temperature: 1.050000 Total energy: -1060.062561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.062561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.062561 (E_RNA) where: Base-Base interactions energy: -672.664 where: short stacking energy: -295.117 Base-Backbone interact. energy: -2.372 local terms energy: -385.026689 where: bonds (distance) C4'-P energy: -83.811 bonds (distance) P-C4' energy: -78.285 flat angles C4'-P-C4' energy: -84.663 flat angles P-C4'-P energy: -54.756 tors. eta vs tors. theta energy: -83.511 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: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1048.333185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.333185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.333185 (E_RNA) where: Base-Base interactions energy: -671.551 where: short stacking energy: -330.504 Base-Backbone interact. energy: -0.765 local terms energy: -376.017020 where: bonds (distance) C4'-P energy: -74.445 bonds (distance) P-C4' energy: -82.768 flat angles C4'-P-C4' energy: -75.836 flat angles P-C4'-P energy: -46.499 tors. eta vs tors. theta energy: -96.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -901.549762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.549762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.549762 (E_RNA) where: Base-Base interactions energy: -560.789 where: short stacking energy: -245.162 Base-Backbone interact. energy: -0.654 local terms energy: -340.106631 where: bonds (distance) C4'-P energy: -55.851 bonds (distance) P-C4' energy: -82.690 flat angles C4'-P-C4' energy: -79.660 flat angles P-C4'-P energy: -52.865 tors. eta vs tors. theta energy: -69.041 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: 7, replica: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -817.833799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.833799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.833799 (E_RNA) where: Base-Base interactions energy: -528.711 where: short stacking energy: -235.346 Base-Backbone interact. energy: -2.288 local terms energy: -286.834778 where: bonds (distance) C4'-P energy: -70.425 bonds (distance) P-C4' energy: -69.798 flat angles C4'-P-C4' energy: -53.685 flat angles P-C4'-P energy: -44.303 tors. eta vs tors. theta energy: -48.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -654.519417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.519417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.519417 (E_RNA) where: Base-Base interactions energy: -382.691 where: short stacking energy: -189.653 Base-Backbone interact. energy: -3.196 local terms energy: -268.632110 where: bonds (distance) C4'-P energy: -60.790 bonds (distance) P-C4' energy: -67.547 flat angles C4'-P-C4' energy: -65.959 flat angles P-C4'-P energy: -47.674 tors. eta vs tors. theta energy: -26.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -555.197870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.197870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.197870 (E_RNA) where: Base-Base interactions energy: -312.646 where: short stacking energy: -151.462 Base-Backbone interact. energy: 2.123 local terms energy: -244.675016 where: bonds (distance) C4'-P energy: -53.318 bonds (distance) P-C4' energy: -76.107 flat angles C4'-P-C4' energy: -56.451 flat angles P-C4'-P energy: -48.284 tors. eta vs tors. theta energy: -10.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -405.128354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.128354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.128354 (E_RNA) where: Base-Base interactions energy: -198.504 where: short stacking energy: -124.472 Base-Backbone interact. energy: -2.276 local terms energy: -204.347896 where: bonds (distance) C4'-P energy: -60.336 bonds (distance) P-C4' energy: -77.277 flat angles C4'-P-C4' energy: -49.370 flat angles P-C4'-P energy: -30.944 tors. eta vs tors. theta energy: 13.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1405.322495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.322495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.322495 (E_RNA) where: Base-Base interactions energy: -948.052 where: short stacking energy: -421.234 Base-Backbone interact. energy: -0.500 local terms energy: -456.770252 where: bonds (distance) C4'-P energy: -89.343 bonds (distance) P-C4' energy: -77.713 flat angles C4'-P-C4' energy: -97.266 flat angles P-C4'-P energy: -66.104 tors. eta vs tors. theta energy: -126.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1299.679950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.679950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.679950 (E_RNA) where: Base-Base interactions energy: -898.259 where: short stacking energy: -386.421 Base-Backbone interact. energy: 2.420 local terms energy: -403.840618 where: bonds (distance) C4'-P energy: -74.003 bonds (distance) P-C4' energy: -80.376 flat angles C4'-P-C4' energy: -86.967 flat angles P-C4'-P energy: -43.002 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: 3, replica: 9 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1207.123903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.123903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.123903 (E_RNA) where: Base-Base interactions energy: -787.957 where: short stacking energy: -362.146 Base-Backbone interact. energy: -1.447 local terms energy: -417.720588 where: bonds (distance) C4'-P energy: -83.546 bonds (distance) P-C4' energy: -84.122 flat angles C4'-P-C4' energy: -87.885 flat angles P-C4'-P energy: -57.650 tors. eta vs tors. theta energy: -104.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1068.343614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.343614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.343614 (E_RNA) where: Base-Base interactions energy: -729.261 where: short stacking energy: -324.821 Base-Backbone interact. energy: -2.772 local terms energy: -336.310575 where: bonds (distance) C4'-P energy: -67.348 bonds (distance) P-C4' energy: -70.805 flat angles C4'-P-C4' energy: -64.543 flat angles P-C4'-P energy: -50.193 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: 5, replica: 4 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1031.334236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.334236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.334236 (E_RNA) where: Base-Base interactions energy: -660.403 where: short stacking energy: -309.866 Base-Backbone interact. energy: -0.044 local terms energy: -370.886935 where: bonds (distance) C4'-P energy: -75.031 bonds (distance) P-C4' energy: -76.402 flat angles C4'-P-C4' energy: -77.178 flat angles P-C4'-P energy: -52.771 tors. eta vs tors. theta energy: -89.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -898.283249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.283249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.283249 (E_RNA) where: Base-Base interactions energy: -582.032 where: short stacking energy: -275.725 Base-Backbone interact. energy: 1.882 local terms energy: -318.133116 where: bonds (distance) C4'-P energy: -72.330 bonds (distance) P-C4' energy: -66.466 flat angles C4'-P-C4' energy: -76.811 flat angles P-C4'-P energy: -52.317 tors. eta vs tors. theta energy: -50.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -805.786958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.786958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.786958 (E_RNA) where: Base-Base interactions energy: -481.340 where: short stacking energy: -249.716 Base-Backbone interact. energy: -0.142 local terms energy: -324.304828 where: bonds (distance) C4'-P energy: -64.095 bonds (distance) P-C4' energy: -69.770 flat angles C4'-P-C4' energy: -83.674 flat angles P-C4'-P energy: -46.618 tors. eta vs tors. theta energy: -60.147 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: 8, replica: 5 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -684.039485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.039485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.039485 (E_RNA) where: Base-Base interactions energy: -409.401 where: short stacking energy: -211.972 Base-Backbone interact. energy: 1.425 local terms energy: -276.063655 where: bonds (distance) C4'-P energy: -65.344 bonds (distance) P-C4' energy: -70.852 flat angles C4'-P-C4' energy: -65.256 flat angles P-C4'-P energy: -35.310 tors. eta vs tors. theta energy: -39.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -575.034720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.034720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.034720 (E_RNA) where: Base-Base interactions energy: -334.679 where: short stacking energy: -161.861 Base-Backbone interact. energy: 0.837 local terms energy: -241.192948 where: bonds (distance) C4'-P energy: -66.218 bonds (distance) P-C4' energy: -51.937 flat angles C4'-P-C4' energy: -63.341 flat angles P-C4'-P energy: -41.915 tors. eta vs tors. theta energy: -17.782 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: 10, replica: 8 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -377.979133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.979133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.979133 (E_RNA) where: Base-Base interactions energy: -186.597 where: short stacking energy: -116.857 Base-Backbone interact. energy: 2.226 local terms energy: -193.608122 where: bonds (distance) C4'-P energy: -64.955 bonds (distance) P-C4' energy: -64.970 flat angles C4'-P-C4' energy: -57.127 flat angles P-C4'-P energy: -15.857 tors. eta vs tors. theta energy: 9.300 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: 10 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1382.614167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.614167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.614167 (E_RNA) where: Base-Base interactions energy: -942.643 where: short stacking energy: -414.772 Base-Backbone interact. energy: -0.600 local terms energy: -439.370269 where: bonds (distance) C4'-P energy: -79.182 bonds (distance) P-C4' energy: -82.004 flat angles C4'-P-C4' energy: -91.278 flat angles P-C4'-P energy: -54.861 tors. eta vs tors. theta energy: -132.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1313.113853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.113853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.113853 (E_RNA) where: Base-Base interactions energy: -886.122 where: short stacking energy: -364.913 Base-Backbone interact. energy: 0.030 local terms energy: -427.021683 where: bonds (distance) C4'-P energy: -85.404 bonds (distance) P-C4' energy: -82.614 flat angles C4'-P-C4' energy: -90.719 flat angles P-C4'-P energy: -54.480 tors. eta vs tors. theta energy: -113.804 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: 3, replica: 9 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1223.357946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.357946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.357946 (E_RNA) where: Base-Base interactions energy: -802.668 where: short stacking energy: -396.469 Base-Backbone interact. energy: -0.163 local terms energy: -420.526131 where: bonds (distance) C4'-P energy: -74.349 bonds (distance) P-C4' energy: -75.317 flat angles C4'-P-C4' energy: -93.726 flat angles P-C4'-P energy: -61.526 tors. eta vs tors. theta energy: -115.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1073.723084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.723084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.723084 (E_RNA) where: Base-Base interactions energy: -703.946 where: short stacking energy: -296.291 Base-Backbone interact. energy: -1.049 local terms energy: -368.727598 where: bonds (distance) C4'-P energy: -64.112 bonds (distance) P-C4' energy: -83.282 flat angles C4'-P-C4' energy: -82.147 flat angles P-C4'-P energy: -56.236 tors. eta vs tors. theta energy: -82.950 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: 4 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1041.149314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.149314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.149314 (E_RNA) where: Base-Base interactions energy: -685.519 where: short stacking energy: -335.673 Base-Backbone interact. energy: -0.534 local terms energy: -355.096212 where: bonds (distance) C4'-P energy: -68.995 bonds (distance) P-C4' energy: -65.442 flat angles C4'-P-C4' energy: -76.255 flat angles P-C4'-P energy: -46.886 tors. eta vs tors. theta energy: -97.518 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: 332 Temperature: 1.150000 Total energy: -837.632456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.632456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.632456 (E_RNA) where: Base-Base interactions energy: -525.684 where: short stacking energy: -246.355 Base-Backbone interact. energy: 2.130 local terms energy: -314.079211 where: bonds (distance) C4'-P energy: -74.206 bonds (distance) P-C4' energy: -62.884 flat angles C4'-P-C4' energy: -74.325 flat angles P-C4'-P energy: -47.389 tors. eta vs tors. theta energy: -55.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -807.594048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.594048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.594048 (E_RNA) where: Base-Base interactions energy: -516.594 where: short stacking energy: -236.487 Base-Backbone interact. energy: -1.816 local terms energy: -289.184064 where: bonds (distance) C4'-P energy: -70.953 bonds (distance) P-C4' energy: -53.612 flat angles C4'-P-C4' energy: -68.521 flat angles P-C4'-P energy: -48.122 tors. eta vs tors. theta energy: -47.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -628.649186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.649186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.649186 (E_RNA) where: Base-Base interactions energy: -352.984 where: short stacking energy: -178.243 Base-Backbone interact. energy: 1.948 local terms energy: -277.613135 where: bonds (distance) C4'-P energy: -76.272 bonds (distance) P-C4' energy: -70.688 flat angles C4'-P-C4' energy: -62.748 flat angles P-C4'-P energy: -50.519 tors. eta vs tors. theta energy: -17.386 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: 3 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -570.601116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.601116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.601116 (E_RNA) where: Base-Base interactions energy: -326.113 where: short stacking energy: -168.062 Base-Backbone interact. energy: 2.657 local terms energy: -247.145211 where: bonds (distance) C4'-P energy: -57.302 bonds (distance) P-C4' energy: -62.202 flat angles C4'-P-C4' energy: -54.341 flat angles P-C4'-P energy: -51.817 tors. eta vs tors. theta energy: -21.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -426.775184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.775184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.775184 (E_RNA) where: Base-Base interactions energy: -198.658 where: short stacking energy: -99.509 Base-Backbone interact. energy: -0.273 local terms energy: -227.844293 where: bonds (distance) C4'-P energy: -72.785 bonds (distance) P-C4' energy: -65.467 flat angles C4'-P-C4' energy: -60.728 flat angles P-C4'-P energy: -30.290 tors. eta vs tors. theta energy: 1.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1401.318010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.318010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.318010 (E_RNA) where: Base-Base interactions energy: -953.486 where: short stacking energy: -446.695 Base-Backbone interact. energy: -0.837 local terms energy: -446.994305 where: bonds (distance) C4'-P energy: -76.920 bonds (distance) P-C4' energy: -79.096 flat angles C4'-P-C4' energy: -87.331 flat angles P-C4'-P energy: -67.154 tors. eta vs tors. theta energy: -136.493 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: 2, replica: 7 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1279.069573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.069573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.069573 (E_RNA) where: Base-Base interactions energy: -868.354 where: short stacking energy: -376.696 Base-Backbone interact. energy: -1.575 local terms energy: -409.140053 where: bonds (distance) C4'-P energy: -78.307 bonds (distance) P-C4' energy: -72.691 flat angles C4'-P-C4' energy: -86.002 flat angles P-C4'-P energy: -62.654 tors. eta vs tors. theta energy: -109.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1216.261024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.261024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.261024 (E_RNA) where: Base-Base interactions energy: -798.377 where: short stacking energy: -386.850 Base-Backbone interact. energy: 0.688 local terms energy: -418.572228 where: bonds (distance) C4'-P energy: -81.544 bonds (distance) P-C4' energy: -72.559 flat angles C4'-P-C4' energy: -83.456 flat angles P-C4'-P energy: -61.561 tors. eta vs tors. theta energy: -119.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1049.929203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.929203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.929203 (E_RNA) where: Base-Base interactions energy: -677.595 where: short stacking energy: -310.590 Base-Backbone interact. energy: -0.511 local terms energy: -371.823828 where: bonds (distance) C4'-P energy: -65.831 bonds (distance) P-C4' energy: -81.803 flat angles C4'-P-C4' energy: -83.609 flat angles P-C4'-P energy: -48.622 tors. eta vs tors. theta energy: -91.959 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: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1025.833003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.833003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.833003 (E_RNA) where: Base-Base interactions energy: -692.411 where: short stacking energy: -313.239 Base-Backbone interact. energy: 1.860 local terms energy: -335.282482 where: bonds (distance) C4'-P energy: -54.955 bonds (distance) P-C4' energy: -77.124 flat angles C4'-P-C4' energy: -78.154 flat angles P-C4'-P energy: -49.545 tors. eta vs tors. theta energy: -75.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -877.462644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.462644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.462644 (E_RNA) where: Base-Base interactions energy: -574.184 where: short stacking energy: -240.433 Base-Backbone interact. energy: -0.041 local terms energy: -303.237245 where: bonds (distance) C4'-P energy: -79.414 bonds (distance) P-C4' energy: -68.418 flat angles C4'-P-C4' energy: -68.958 flat angles P-C4'-P energy: -24.206 tors. eta vs tors. theta energy: -62.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -804.306513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.306513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.306513 (E_RNA) where: Base-Base interactions energy: -518.098 where: short stacking energy: -253.341 Base-Backbone interact. energy: -1.783 local terms energy: -284.424552 where: bonds (distance) C4'-P energy: -55.264 bonds (distance) P-C4' energy: -69.108 flat angles C4'-P-C4' energy: -68.335 flat angles P-C4'-P energy: -43.226 tors. eta vs tors. theta energy: -48.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -625.120545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.120545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.120545 (E_RNA) where: Base-Base interactions energy: -375.884 where: short stacking energy: -194.583 Base-Backbone interact. energy: -0.845 local terms energy: -248.392050 where: bonds (distance) C4'-P energy: -60.944 bonds (distance) P-C4' energy: -75.791 flat angles C4'-P-C4' energy: -51.631 flat angles P-C4'-P energy: -31.457 tors. eta vs tors. theta energy: -28.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -573.431540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.431540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.431540 (E_RNA) where: Base-Base interactions energy: -322.547 where: short stacking energy: -161.758 Base-Backbone interact. energy: -0.368 local terms energy: -250.516998 where: bonds (distance) C4'-P energy: -61.171 bonds (distance) P-C4' energy: -60.245 flat angles C4'-P-C4' energy: -59.247 flat angles P-C4'-P energy: -47.078 tors. eta vs tors. theta energy: -22.776 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: 10, replica: 8 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -443.752059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.752059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.752059 (E_RNA) where: Base-Base interactions energy: -233.369 where: short stacking energy: -129.614 Base-Backbone interact. energy: 2.493 local terms energy: -212.876161 where: bonds (distance) C4'-P energy: -72.757 bonds (distance) P-C4' energy: -74.235 flat angles C4'-P-C4' energy: -35.707 flat angles P-C4'-P energy: -31.614 tors. eta vs tors. theta energy: 1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1409.721565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.721565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.721565 (E_RNA) where: Base-Base interactions energy: -958.621 where: short stacking energy: -433.128 Base-Backbone interact. energy: -0.536 local terms energy: -450.564320 where: bonds (distance) C4'-P energy: -74.200 bonds (distance) P-C4' energy: -78.087 flat angles C4'-P-C4' energy: -100.315 flat angles P-C4'-P energy: -60.529 tors. eta vs tors. theta energy: -137.433 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: 7 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1292.411569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.411569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.411569 (E_RNA) where: Base-Base interactions energy: -889.739 where: short stacking energy: -383.136 Base-Backbone interact. energy: 0.624 local terms energy: -403.296027 where: bonds (distance) C4'-P energy: -75.571 bonds (distance) P-C4' energy: -71.169 flat angles C4'-P-C4' energy: -88.818 flat angles P-C4'-P energy: -58.666 tors. eta vs tors. theta energy: -109.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1247.099304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.099304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.099304 (E_RNA) where: Base-Base interactions energy: -832.055 where: short stacking energy: -406.256 Base-Backbone interact. energy: -0.362 local terms energy: -414.682263 where: bonds (distance) C4'-P energy: -72.722 bonds (distance) P-C4' energy: -65.484 flat angles C4'-P-C4' energy: -90.108 flat angles P-C4'-P energy: -58.849 tors. eta vs tors. theta energy: -127.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1043.263631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.263631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.263631 (E_RNA) where: Base-Base interactions energy: -686.147 where: short stacking energy: -324.238 Base-Backbone interact. energy: 0.042 local terms energy: -357.158708 where: bonds (distance) C4'-P energy: -65.204 bonds (distance) P-C4' energy: -72.123 flat angles C4'-P-C4' energy: -74.864 flat angles P-C4'-P energy: -54.140 tors. eta vs tors. theta energy: -90.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1006.475172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.475172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.475172 (E_RNA) where: Base-Base interactions energy: -666.780 where: short stacking energy: -284.246 Base-Backbone interact. energy: -2.379 local terms energy: -337.316046 where: bonds (distance) C4'-P energy: -64.611 bonds (distance) P-C4' energy: -66.298 flat angles C4'-P-C4' energy: -73.799 flat angles P-C4'-P energy: -56.253 tors. eta vs tors. theta energy: -76.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -868.369815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.369815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.369815 (E_RNA) where: Base-Base interactions energy: -546.531 where: short stacking energy: -255.635 Base-Backbone interact. energy: -0.840 local terms energy: -320.998347 where: bonds (distance) C4'-P energy: -67.360 bonds (distance) P-C4' energy: -86.506 flat angles C4'-P-C4' energy: -76.153 flat angles P-C4'-P energy: -44.324 tors. eta vs tors. theta energy: -46.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -832.590623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.590623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.590623 (E_RNA) where: Base-Base interactions energy: -522.318 where: short stacking energy: -245.213 Base-Backbone interact. energy: -1.112 local terms energy: -309.160323 where: bonds (distance) C4'-P energy: -70.440 bonds (distance) P-C4' energy: -72.113 flat angles C4'-P-C4' energy: -75.583 flat angles P-C4'-P energy: -34.433 tors. eta vs tors. theta energy: -56.591 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: 3 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -623.176436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.176436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.176436 (E_RNA) where: Base-Base interactions energy: -365.906 where: short stacking energy: -193.604 Base-Backbone interact. energy: 2.766 local terms energy: -260.036239 where: bonds (distance) C4'-P energy: -62.151 bonds (distance) P-C4' energy: -75.819 flat angles C4'-P-C4' energy: -67.654 flat angles P-C4'-P energy: -29.276 tors. eta vs tors. theta energy: -25.136 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: 5 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -560.692033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.692033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.692033 (E_RNA) where: Base-Base interactions energy: -325.694 where: short stacking energy: -161.334 Base-Backbone interact. energy: -0.717 local terms energy: -234.280424 where: bonds (distance) C4'-P energy: -70.361 bonds (distance) P-C4' energy: -61.089 flat angles C4'-P-C4' energy: -65.850 flat angles P-C4'-P energy: -22.687 tors. eta vs tors. theta energy: -14.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -378.808605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.808605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.808605 (E_RNA) where: Base-Base interactions energy: -163.352 where: short stacking energy: -91.908 Base-Backbone interact. energy: 1.673 local terms energy: -217.130455 where: bonds (distance) C4'-P energy: -60.504 bonds (distance) P-C4' energy: -64.174 flat angles C4'-P-C4' energy: -55.593 flat angles P-C4'-P energy: -36.558 tors. eta vs tors. theta energy: -0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1398.252770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.252770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.252770 (E_RNA) where: Base-Base interactions energy: -943.385 where: short stacking energy: -435.743 Base-Backbone interact. energy: -2.259 local terms energy: -452.607996 where: bonds (distance) C4'-P energy: -71.317 bonds (distance) P-C4' energy: -84.716 flat angles C4'-P-C4' energy: -97.200 flat angles P-C4'-P energy: -61.728 tors. eta vs tors. theta energy: -137.648 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: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1295.596878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.596878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.596878 (E_RNA) where: Base-Base interactions energy: -865.194 where: short stacking energy: -390.966 Base-Backbone interact. energy: -1.387 local terms energy: -429.016634 where: bonds (distance) C4'-P energy: -78.405 bonds (distance) P-C4' energy: -81.357 flat angles C4'-P-C4' energy: -88.887 flat angles P-C4'-P energy: -70.507 tors. eta vs tors. theta energy: -109.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1232.750459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.750459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.750459 (E_RNA) where: Base-Base interactions energy: -806.599 where: short stacking energy: -383.405 Base-Backbone interact. energy: -2.474 local terms energy: -423.677489 where: bonds (distance) C4'-P energy: -70.864 bonds (distance) P-C4' energy: -83.669 flat angles C4'-P-C4' energy: -91.079 flat angles P-C4'-P energy: -66.426 tors. eta vs tors. theta energy: -111.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1033.826876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.826876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.826876 (E_RNA) where: Base-Base interactions energy: -689.398 where: short stacking energy: -305.793 Base-Backbone interact. energy: 1.275 local terms energy: -345.703162 where: bonds (distance) C4'-P energy: -75.035 bonds (distance) P-C4' energy: -71.895 flat angles C4'-P-C4' energy: -72.133 flat angles P-C4'-P energy: -47.565 tors. eta vs tors. theta energy: -79.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1002.538806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.538806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.538806 (E_RNA) where: Base-Base interactions energy: -639.143 where: short stacking energy: -304.446 Base-Backbone interact. energy: 3.324 local terms energy: -366.719470 where: bonds (distance) C4'-P energy: -66.590 bonds (distance) P-C4' energy: -75.331 flat angles C4'-P-C4' energy: -87.927 flat angles P-C4'-P energy: -48.640 tors. eta vs tors. theta energy: -88.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -868.198494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.198494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.198494 (E_RNA) where: Base-Base interactions energy: -532.472 where: short stacking energy: -248.401 Base-Backbone interact. energy: -0.207 local terms energy: -335.520160 where: bonds (distance) C4'-P energy: -81.954 bonds (distance) P-C4' energy: -64.461 flat angles C4'-P-C4' energy: -77.635 flat angles P-C4'-P energy: -42.523 tors. eta vs tors. theta energy: -68.948 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: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -862.619250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.619250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.619250 (E_RNA) where: Base-Base interactions energy: -561.258 where: short stacking energy: -270.610 Base-Backbone interact. energy: -1.099 local terms energy: -300.262175 where: bonds (distance) C4'-P energy: -52.837 bonds (distance) P-C4' energy: -69.903 flat angles C4'-P-C4' energy: -74.286 flat angles P-C4'-P energy: -46.956 tors. eta vs tors. theta energy: -56.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -617.198951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.198951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.198951 (E_RNA) where: Base-Base interactions energy: -355.964 where: short stacking energy: -178.498 Base-Backbone interact. energy: -0.691 local terms energy: -260.544077 where: bonds (distance) C4'-P energy: -71.744 bonds (distance) P-C4' energy: -71.650 flat angles C4'-P-C4' energy: -70.671 flat angles P-C4'-P energy: -32.893 tors. eta vs tors. theta energy: -13.585 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: 9, replica: 5 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -580.721188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.721188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.721188 (E_RNA) where: Base-Base interactions energy: -318.936 where: short stacking energy: -166.938 Base-Backbone interact. energy: -0.027 local terms energy: -261.757770 where: bonds (distance) C4'-P energy: -69.833 bonds (distance) P-C4' energy: -65.695 flat angles C4'-P-C4' energy: -72.738 flat angles P-C4'-P energy: -32.738 tors. eta vs tors. theta energy: -20.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -399.715161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.715161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.715161 (E_RNA) where: Base-Base interactions energy: -195.609 where: short stacking energy: -128.209 Base-Backbone interact. energy: -0.353 local terms energy: -203.752842 where: bonds (distance) C4'-P energy: -59.944 bonds (distance) P-C4' energy: -69.968 flat angles C4'-P-C4' energy: -42.658 flat angles P-C4'-P energy: -31.447 tors. eta vs tors. theta energy: 0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1332.137051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.137051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.137051 (E_RNA) where: Base-Base interactions energy: -907.536 where: short stacking energy: -412.784 Base-Backbone interact. energy: -1.688 local terms energy: -422.913551 where: bonds (distance) C4'-P energy: -73.031 bonds (distance) P-C4' energy: -85.238 flat angles C4'-P-C4' energy: -96.719 flat angles P-C4'-P energy: -53.595 tors. eta vs tors. theta energy: -114.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1363.935030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.935030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.935030 (E_RNA) where: Base-Base interactions energy: -921.463 where: short stacking energy: -417.674 Base-Backbone interact. energy: 0.737 local terms energy: -443.209301 where: bonds (distance) C4'-P energy: -80.319 bonds (distance) P-C4' energy: -72.638 flat angles C4'-P-C4' energy: -94.542 flat angles P-C4'-P energy: -60.690 tors. eta vs tors. theta energy: -135.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1231.898668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.898668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.898668 (E_RNA) where: Base-Base interactions energy: -811.722 where: short stacking energy: -403.132 Base-Backbone interact. energy: -1.502 local terms energy: -418.674095 where: bonds (distance) C4'-P energy: -73.121 bonds (distance) P-C4' energy: -67.856 flat angles C4'-P-C4' energy: -90.948 flat angles P-C4'-P energy: -62.308 tors. eta vs tors. theta energy: -124.441 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: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1064.187279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.187279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.187279 (E_RNA) where: Base-Base interactions energy: -690.608 where: short stacking energy: -302.112 Base-Backbone interact. energy: -1.714 local terms energy: -371.864470 where: bonds (distance) C4'-P energy: -66.028 bonds (distance) P-C4' energy: -76.535 flat angles C4'-P-C4' energy: -85.844 flat angles P-C4'-P energy: -60.662 tors. eta vs tors. theta energy: -82.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -990.335926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.335926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.335926 (E_RNA) where: Base-Base interactions energy: -627.881 where: short stacking energy: -279.579 Base-Backbone interact. energy: -0.126 local terms energy: -362.328564 where: bonds (distance) C4'-P energy: -75.059 bonds (distance) P-C4' energy: -79.594 flat angles C4'-P-C4' energy: -78.350 flat angles P-C4'-P energy: -52.661 tors. eta vs tors. theta energy: -76.664 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: 1 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -863.052735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.052735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.052735 (E_RNA) where: Base-Base interactions energy: -546.925 where: short stacking energy: -272.116 Base-Backbone interact. energy: -2.088 local terms energy: -314.040105 where: bonds (distance) C4'-P energy: -60.345 bonds (distance) P-C4' energy: -71.060 flat angles C4'-P-C4' energy: -90.181 flat angles P-C4'-P energy: -32.623 tors. eta vs tors. theta energy: -59.832 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: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -829.755568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.755568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.755568 (E_RNA) where: Base-Base interactions energy: -509.456 where: short stacking energy: -247.444 Base-Backbone interact. energy: 0.267 local terms energy: -320.565994 where: bonds (distance) C4'-P energy: -66.025 bonds (distance) P-C4' energy: -69.861 flat angles C4'-P-C4' energy: -72.971 flat angles P-C4'-P energy: -49.941 tors. eta vs tors. theta energy: -61.767 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: 3 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -635.458306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.458306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.458306 (E_RNA) where: Base-Base interactions energy: -357.380 where: short stacking energy: -191.924 Base-Backbone interact. energy: -2.547 local terms energy: -275.531035 where: bonds (distance) C4'-P energy: -58.060 bonds (distance) P-C4' energy: -65.195 flat angles C4'-P-C4' energy: -65.804 flat angles P-C4'-P energy: -52.486 tors. eta vs tors. theta energy: -33.986 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: 9, replica: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -560.977891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.977891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.977891 (E_RNA) where: Base-Base interactions energy: -314.309 where: short stacking energy: -167.777 Base-Backbone interact. energy: 0.934 local terms energy: -247.603030 where: bonds (distance) C4'-P energy: -66.124 bonds (distance) P-C4' energy: -60.575 flat angles C4'-P-C4' energy: -64.373 flat angles P-C4'-P energy: -36.030 tors. eta vs tors. theta energy: -20.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -410.340880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.340880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.340880 (E_RNA) where: Base-Base interactions energy: -177.647 where: short stacking energy: -94.915 Base-Backbone interact. energy: -2.000 local terms energy: -230.693869 where: bonds (distance) C4'-P energy: -77.709 bonds (distance) P-C4' energy: -69.937 flat angles C4'-P-C4' energy: -51.093 flat angles P-C4'-P energy: -47.893 tors. eta vs tors. theta energy: 15.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1315.118383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.118383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.118383 (E_RNA) where: Base-Base interactions energy: -894.899 where: short stacking energy: -410.698 Base-Backbone interact. energy: -0.669 local terms energy: -419.550432 where: bonds (distance) C4'-P energy: -82.294 bonds (distance) P-C4' energy: -81.435 flat angles C4'-P-C4' energy: -88.066 flat angles P-C4'-P energy: -55.434 tors. eta vs tors. theta energy: -112.322 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: 2, replica: 10 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1368.274136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.274136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.274136 (E_RNA) where: Base-Base interactions energy: -924.765 where: short stacking energy: -418.493 Base-Backbone interact. energy: -1.292 local terms energy: -442.216737 where: bonds (distance) C4'-P energy: -77.249 bonds (distance) P-C4' energy: -87.458 flat angles C4'-P-C4' energy: -92.202 flat angles P-C4'-P energy: -62.206 tors. eta vs tors. theta energy: -123.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1231.246380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.246380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.246380 (E_RNA) where: Base-Base interactions energy: -820.379 where: short stacking energy: -378.022 Base-Backbone interact. energy: -0.287 local terms energy: -410.580625 where: bonds (distance) C4'-P energy: -76.234 bonds (distance) P-C4' energy: -78.711 flat angles C4'-P-C4' energy: -92.607 flat angles P-C4'-P energy: -56.974 tors. eta vs tors. theta energy: -106.053 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: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1058.809787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.809787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.809787 (E_RNA) where: Base-Base interactions energy: -703.500 where: short stacking energy: -303.252 Base-Backbone interact. energy: -0.679 local terms energy: -354.630806 where: bonds (distance) C4'-P energy: -75.644 bonds (distance) P-C4' energy: -81.834 flat angles C4'-P-C4' energy: -72.963 flat angles P-C4'-P energy: -52.957 tors. eta vs tors. theta energy: -71.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -976.322503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.322503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.322503 (E_RNA) where: Base-Base interactions energy: -641.774 where: short stacking energy: -283.993 Base-Backbone interact. energy: -0.188 local terms energy: -334.360313 where: bonds (distance) C4'-P energy: -65.705 bonds (distance) P-C4' energy: -78.257 flat angles C4'-P-C4' energy: -68.772 flat angles P-C4'-P energy: -50.973 tors. eta vs tors. theta energy: -70.653 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: 337 Temperature: 1.150000 Total energy: -878.566211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.566211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.566211 (E_RNA) where: Base-Base interactions energy: -569.517 where: short stacking energy: -246.145 Base-Backbone interact. energy: -1.600 local terms energy: -307.450114 where: bonds (distance) C4'-P energy: -62.287 bonds (distance) P-C4' energy: -74.094 flat angles C4'-P-C4' energy: -72.411 flat angles P-C4'-P energy: -38.874 tors. eta vs tors. theta energy: -59.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -744.860999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.860999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.860999 (E_RNA) where: Base-Base interactions energy: -432.275 where: short stacking energy: -208.238 Base-Backbone interact. energy: -0.734 local terms energy: -311.851578 where: bonds (distance) C4'-P energy: -80.165 bonds (distance) P-C4' energy: -82.280 flat angles C4'-P-C4' energy: -68.235 flat angles P-C4'-P energy: -34.279 tors. eta vs tors. theta energy: -46.893 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: 8, replica: 3 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -655.226977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.226977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.226977 (E_RNA) where: Base-Base interactions energy: -392.118 where: short stacking energy: -212.256 Base-Backbone interact. energy: 3.161 local terms energy: -266.270008 where: bonds (distance) C4'-P energy: -59.446 bonds (distance) P-C4' energy: -65.700 flat angles C4'-P-C4' energy: -56.116 flat angles P-C4'-P energy: -44.505 tors. eta vs tors. theta energy: -40.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -578.141385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.141385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.141385 (E_RNA) where: Base-Base interactions energy: -319.323 where: short stacking energy: -172.491 Base-Backbone interact. energy: -0.698 local terms energy: -258.120931 where: bonds (distance) C4'-P energy: -63.546 bonds (distance) P-C4' energy: -60.104 flat angles C4'-P-C4' energy: -69.644 flat angles P-C4'-P energy: -34.819 tors. eta vs tors. theta energy: -30.008 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: 8 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -382.432870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.432870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.432870 (E_RNA) where: Base-Base interactions energy: -192.432 where: short stacking energy: -130.931 Base-Backbone interact. energy: 1.481 local terms energy: -191.481434 where: bonds (distance) C4'-P energy: -63.645 bonds (distance) P-C4' energy: -63.185 flat angles C4'-P-C4' energy: -55.030 flat angles P-C4'-P energy: -6.757 tors. eta vs tors. theta energy: -2.864 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: 10 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1401.210916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.210916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.210916 (E_RNA) where: Base-Base interactions energy: -946.441 where: short stacking energy: -421.735 Base-Backbone interact. energy: -2.781 local terms energy: -451.988789 where: bonds (distance) C4'-P energy: -80.545 bonds (distance) P-C4' energy: -76.985 flat angles C4'-P-C4' energy: -90.954 flat angles P-C4'-P energy: -68.675 tors. eta vs tors. theta energy: -134.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1280.388503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.388503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.388503 (E_RNA) where: Base-Base interactions energy: -869.234 where: short stacking energy: -377.785 Base-Backbone interact. energy: 0.007 local terms energy: -411.161132 where: bonds (distance) C4'-P energy: -83.508 bonds (distance) P-C4' energy: -82.494 flat angles C4'-P-C4' energy: -81.666 flat angles P-C4'-P energy: -52.395 tors. eta vs tors. theta energy: -111.098 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: 9 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1250.652708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.652708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.652708 (E_RNA) where: Base-Base interactions energy: -842.140 where: short stacking energy: -377.254 Base-Backbone interact. energy: -0.134 local terms energy: -408.378377 where: bonds (distance) C4'-P energy: -70.629 bonds (distance) P-C4' energy: -79.366 flat angles C4'-P-C4' energy: -88.141 flat angles P-C4'-P energy: -50.095 tors. eta vs tors. theta energy: -120.148 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: 2 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1083.726389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.726389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.726389 (E_RNA) where: Base-Base interactions energy: -720.149 where: short stacking energy: -325.913 Base-Backbone interact. energy: -1.949 local terms energy: -361.629111 where: bonds (distance) C4'-P energy: -76.843 bonds (distance) P-C4' energy: -65.583 flat angles C4'-P-C4' energy: -80.239 flat angles P-C4'-P energy: -55.181 tors. eta vs tors. theta energy: -83.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1020.246251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.246251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.246251 (E_RNA) where: Base-Base interactions energy: -661.564 where: short stacking energy: -291.866 Base-Backbone interact. energy: -0.812 local terms energy: -357.870280 where: bonds (distance) C4'-P energy: -68.467 bonds (distance) P-C4' energy: -78.981 flat angles C4'-P-C4' energy: -77.249 flat angles P-C4'-P energy: -45.985 tors. eta vs tors. theta energy: -87.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -872.058451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.058451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.058451 (E_RNA) where: Base-Base interactions energy: -574.409 where: short stacking energy: -263.095 Base-Backbone interact. energy: -0.739 local terms energy: -296.911265 where: bonds (distance) C4'-P energy: -56.052 bonds (distance) P-C4' energy: -63.963 flat angles C4'-P-C4' energy: -72.996 flat angles P-C4'-P energy: -43.081 tors. eta vs tors. theta energy: -60.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -733.164364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.164364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.164364 (E_RNA) where: Base-Base interactions energy: -430.408 where: short stacking energy: -217.814 Base-Backbone interact. energy: -1.088 local terms energy: -301.668756 where: bonds (distance) C4'-P energy: -65.678 bonds (distance) P-C4' energy: -74.459 flat angles C4'-P-C4' energy: -74.414 flat angles P-C4'-P energy: -39.850 tors. eta vs tors. theta energy: -47.268 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: 8, replica: 3 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -663.185638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.185638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.185638 (E_RNA) where: Base-Base interactions energy: -362.713 where: short stacking energy: -187.221 Base-Backbone interact. energy: -0.263 local terms energy: -300.208882 where: bonds (distance) C4'-P energy: -59.341 bonds (distance) P-C4' energy: -81.115 flat angles C4'-P-C4' energy: -83.213 flat angles P-C4'-P energy: -45.880 tors. eta vs tors. theta energy: -30.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -563.861191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.861191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.861191 (E_RNA) where: Base-Base interactions energy: -312.781 where: short stacking energy: -177.559 Base-Backbone interact. energy: 1.069 local terms energy: -252.149539 where: bonds (distance) C4'-P energy: -53.923 bonds (distance) P-C4' energy: -79.935 flat angles C4'-P-C4' energy: -59.834 flat angles P-C4'-P energy: -36.802 tors. eta vs tors. theta energy: -21.656 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: 338 Temperature: 1.350000 Total energy: -411.398383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.398383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.398383 (E_RNA) where: Base-Base interactions energy: -172.371 where: short stacking energy: -124.874 Base-Backbone interact. energy: 2.149 local terms energy: -241.177034 where: bonds (distance) C4'-P energy: -72.918 bonds (distance) P-C4' energy: -70.924 flat angles C4'-P-C4' energy: -57.482 flat angles P-C4'-P energy: -41.278 tors. eta vs tors. theta energy: 1.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1392.194046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.194046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.194046 (E_RNA) where: Base-Base interactions energy: -941.331 where: short stacking energy: -425.805 Base-Backbone interact. energy: -0.764 local terms energy: -450.098238 where: bonds (distance) C4'-P energy: -70.466 bonds (distance) P-C4' energy: -87.359 flat angles C4'-P-C4' energy: -92.114 flat angles P-C4'-P energy: -68.648 tors. eta vs tors. theta energy: -131.511 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: 7 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1307.626990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.626990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.626990 (E_RNA) where: Base-Base interactions energy: -891.437 where: short stacking energy: -383.115 Base-Backbone interact. energy: -1.144 local terms energy: -415.045905 where: bonds (distance) C4'-P energy: -84.190 bonds (distance) P-C4' energy: -71.954 flat angles C4'-P-C4' energy: -88.475 flat angles P-C4'-P energy: -55.542 tors. eta vs tors. theta energy: -114.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1250.980694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.980694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.980694 (E_RNA) where: Base-Base interactions energy: -826.640 where: short stacking energy: -377.314 Base-Backbone interact. energy: -0.543 local terms energy: -423.798378 where: bonds (distance) C4'-P energy: -76.239 bonds (distance) P-C4' energy: -73.534 flat angles C4'-P-C4' energy: -85.749 flat angles P-C4'-P energy: -64.848 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: 4, replica: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1096.800656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.800656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.800656 (E_RNA) where: Base-Base interactions energy: -749.978 where: short stacking energy: -336.350 Base-Backbone interact. energy: 0.089 local terms energy: -346.911467 where: bonds (distance) C4'-P energy: -73.102 bonds (distance) P-C4' energy: -72.477 flat angles C4'-P-C4' energy: -76.736 flat angles P-C4'-P energy: -48.108 tors. eta vs tors. theta energy: -76.489 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: 4 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1081.170811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.170811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.170811 (E_RNA) where: Base-Base interactions energy: -705.548 where: short stacking energy: -326.747 Base-Backbone interact. energy: -1.363 local terms energy: -374.259382 where: bonds (distance) C4'-P energy: -74.190 bonds (distance) P-C4' energy: -65.782 flat angles C4'-P-C4' energy: -81.322 flat angles P-C4'-P energy: -53.728 tors. eta vs tors. theta energy: -99.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -881.524780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.524780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.524780 (E_RNA) where: Base-Base interactions energy: -568.292 where: short stacking energy: -274.358 Base-Backbone interact. energy: -1.766 local terms energy: -311.467462 where: bonds (distance) C4'-P energy: -69.311 bonds (distance) P-C4' energy: -69.789 flat angles C4'-P-C4' energy: -56.294 flat angles P-C4'-P energy: -48.769 tors. eta vs tors. theta energy: -67.304 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: 7, replica: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -788.603277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.603277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.603277 (E_RNA) where: Base-Base interactions energy: -474.494 where: short stacking energy: -232.776 Base-Backbone interact. energy: 0.196 local terms energy: -314.304966 where: bonds (distance) C4'-P energy: -69.880 bonds (distance) P-C4' energy: -77.546 flat angles C4'-P-C4' energy: -79.162 flat angles P-C4'-P energy: -42.745 tors. eta vs tors. theta energy: -44.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -624.023373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.023373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.023373 (E_RNA) where: Base-Base interactions energy: -385.424 where: short stacking energy: -180.175 Base-Backbone interact. energy: -3.057 local terms energy: -235.542973 where: bonds (distance) C4'-P energy: -44.263 bonds (distance) P-C4' energy: -65.816 flat angles C4'-P-C4' energy: -65.935 flat angles P-C4'-P energy: -28.934 tors. eta vs tors. theta energy: -30.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -583.191022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.191022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.191022 (E_RNA) where: Base-Base interactions energy: -332.189 where: short stacking energy: -171.850 Base-Backbone interact. energy: -1.376 local terms energy: -249.626047 where: bonds (distance) C4'-P energy: -56.031 bonds (distance) P-C4' energy: -70.250 flat angles C4'-P-C4' energy: -74.992 flat angles P-C4'-P energy: -25.856 tors. eta vs tors. theta energy: -22.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -381.949699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.949699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.949699 (E_RNA) where: Base-Base interactions energy: -173.091 where: short stacking energy: -118.016 Base-Backbone interact. energy: 0.145 local terms energy: -209.003912 where: bonds (distance) C4'-P energy: -65.177 bonds (distance) P-C4' energy: -51.493 flat angles C4'-P-C4' energy: -59.199 flat angles P-C4'-P energy: -34.831 tors. eta vs tors. theta energy: 1.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1394.479354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.479354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.479354 (E_RNA) where: Base-Base interactions energy: -951.251 where: short stacking energy: -428.314 Base-Backbone interact. energy: 1.239 local terms energy: -444.467117 where: bonds (distance) C4'-P energy: -64.995 bonds (distance) P-C4' energy: -84.513 flat angles C4'-P-C4' energy: -97.354 flat angles P-C4'-P energy: -68.779 tors. eta vs tors. theta energy: -128.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1295.485589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.485589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.485589 (E_RNA) where: Base-Base interactions energy: -876.763 where: short stacking energy: -385.764 Base-Backbone interact. energy: -1.675 local terms energy: -417.047130 where: bonds (distance) C4'-P energy: -71.650 bonds (distance) P-C4' energy: -81.841 flat angles C4'-P-C4' energy: -92.671 flat angles P-C4'-P energy: -57.552 tors. eta vs tors. theta energy: -113.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1242.678468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.678468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.678468 (E_RNA) where: Base-Base interactions energy: -830.230 where: short stacking energy: -366.512 Base-Backbone interact. energy: -1.018 local terms energy: -411.430584 where: bonds (distance) C4'-P energy: -68.198 bonds (distance) P-C4' energy: -89.531 flat angles C4'-P-C4' energy: -85.394 flat angles P-C4'-P energy: -58.694 tors. eta vs tors. theta energy: -109.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1115.734896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.734896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.734896 (E_RNA) where: Base-Base interactions energy: -749.487 where: short stacking energy: -322.584 Base-Backbone interact. energy: -1.871 local terms energy: -364.376821 where: bonds (distance) C4'-P energy: -79.107 bonds (distance) P-C4' energy: -71.527 flat angles C4'-P-C4' energy: -70.844 flat angles P-C4'-P energy: -54.633 tors. eta vs tors. theta energy: -88.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1052.976630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.976630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.976630 (E_RNA) where: Base-Base interactions energy: -689.694 where: short stacking energy: -315.042 Base-Backbone interact. energy: -0.579 local terms energy: -362.704193 where: bonds (distance) C4'-P energy: -64.916 bonds (distance) P-C4' energy: -71.405 flat angles C4'-P-C4' energy: -78.276 flat angles P-C4'-P energy: -55.568 tors. eta vs tors. theta energy: -92.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -883.570842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.570842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.570842 (E_RNA) where: Base-Base interactions energy: -542.999 where: short stacking energy: -234.522 Base-Backbone interact. energy: -0.690 local terms energy: -339.881293 where: bonds (distance) C4'-P energy: -60.112 bonds (distance) P-C4' energy: -79.262 flat angles C4'-P-C4' energy: -82.906 flat angles P-C4'-P energy: -48.501 tors. eta vs tors. theta energy: -69.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -767.368643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.368643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.368643 (E_RNA) where: Base-Base interactions energy: -503.325 where: short stacking energy: -227.807 Base-Backbone interact. energy: 0.452 local terms energy: -264.495767 where: bonds (distance) C4'-P energy: -72.246 bonds (distance) P-C4' energy: -74.877 flat angles C4'-P-C4' energy: -67.258 flat angles P-C4'-P energy: -23.472 tors. eta vs tors. theta energy: -26.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -627.535910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.535910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.535910 (E_RNA) where: Base-Base interactions energy: -356.468 where: short stacking energy: -186.881 Base-Backbone interact. energy: -1.024 local terms energy: -270.043831 where: bonds (distance) C4'-P energy: -60.981 bonds (distance) P-C4' energy: -64.163 flat angles C4'-P-C4' energy: -72.962 flat angles P-C4'-P energy: -43.998 tors. eta vs tors. theta energy: -27.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -593.572538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.572538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.572538 (E_RNA) where: Base-Base interactions energy: -323.513 where: short stacking energy: -180.050 Base-Backbone interact. energy: 1.917 local terms energy: -271.976729 where: bonds (distance) C4'-P energy: -65.066 bonds (distance) P-C4' energy: -65.946 flat angles C4'-P-C4' energy: -62.403 flat angles P-C4'-P energy: -46.909 tors. eta vs tors. theta energy: -31.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -450.430511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.430511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.430511 (E_RNA) where: Base-Base interactions energy: -210.956 where: short stacking energy: -110.204 Base-Backbone interact. energy: 0.382 local terms energy: -239.856012 where: bonds (distance) C4'-P energy: -57.763 bonds (distance) P-C4' energy: -70.683 flat angles C4'-P-C4' energy: -67.919 flat angles P-C4'-P energy: -46.172 tors. eta vs tors. theta energy: 2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1384.543101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.543101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.543101 (E_RNA) where: Base-Base interactions energy: -919.691 where: short stacking energy: -423.106 Base-Backbone interact. energy: -1.728 local terms energy: -463.123693 where: bonds (distance) C4'-P energy: -85.376 bonds (distance) P-C4' energy: -86.010 flat angles C4'-P-C4' energy: -92.754 flat angles P-C4'-P energy: -66.925 tors. eta vs tors. theta energy: -132.058 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: 7 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1298.811714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.811714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.811714 (E_RNA) where: Base-Base interactions energy: -882.167 where: short stacking energy: -381.037 Base-Backbone interact. energy: 0.826 local terms energy: -417.471310 where: bonds (distance) C4'-P energy: -69.199 bonds (distance) P-C4' energy: -88.278 flat angles C4'-P-C4' energy: -93.146 flat angles P-C4'-P energy: -54.637 tors. eta vs tors. theta energy: -112.212 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: 9 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1202.825565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.825565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.825565 (E_RNA) where: Base-Base interactions energy: -812.266 where: short stacking energy: -359.228 Base-Backbone interact. energy: -1.592 local terms energy: -388.968029 where: bonds (distance) C4'-P energy: -71.749 bonds (distance) P-C4' energy: -74.811 flat angles C4'-P-C4' energy: -83.578 flat angles P-C4'-P energy: -51.506 tors. eta vs tors. theta energy: -107.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1115.123654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.123654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.123654 (E_RNA) where: Base-Base interactions energy: -728.234 where: short stacking energy: -306.993 Base-Backbone interact. energy: -0.931 local terms energy: -385.958611 where: bonds (distance) C4'-P energy: -77.568 bonds (distance) P-C4' energy: -82.576 flat angles C4'-P-C4' energy: -82.492 flat angles P-C4'-P energy: -56.409 tors. eta vs tors. theta energy: -86.915 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: 5, replica: 4 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1036.809110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.809110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.809110 (E_RNA) where: Base-Base interactions energy: -692.996 where: short stacking energy: -306.695 Base-Backbone interact. energy: -1.290 local terms energy: -342.523187 where: bonds (distance) C4'-P energy: -59.886 bonds (distance) P-C4' energy: -74.790 flat angles C4'-P-C4' energy: -79.794 flat angles P-C4'-P energy: -50.724 tors. eta vs tors. theta energy: -77.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -887.766812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.766812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.766812 (E_RNA) where: Base-Base interactions energy: -572.038 where: short stacking energy: -247.638 Base-Backbone interact. energy: -0.358 local terms energy: -315.370928 where: bonds (distance) C4'-P energy: -64.514 bonds (distance) P-C4' energy: -81.708 flat angles C4'-P-C4' energy: -64.814 flat angles P-C4'-P energy: -53.811 tors. eta vs tors. theta energy: -50.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -782.424776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.424776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.424776 (E_RNA) where: Base-Base interactions energy: -481.747 where: short stacking energy: -229.329 Base-Backbone interact. energy: -2.129 local terms energy: -298.548939 where: bonds (distance) C4'-P energy: -65.377 bonds (distance) P-C4' energy: -67.639 flat angles C4'-P-C4' energy: -67.296 flat angles P-C4'-P energy: -43.279 tors. eta vs tors. theta energy: -54.959 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: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -649.604743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.604743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.604743 (E_RNA) where: Base-Base interactions energy: -364.411 where: short stacking energy: -198.206 Base-Backbone interact. energy: 2.883 local terms energy: -288.076806 where: bonds (distance) C4'-P energy: -63.987 bonds (distance) P-C4' energy: -68.674 flat angles C4'-P-C4' energy: -74.622 flat angles P-C4'-P energy: -49.170 tors. eta vs tors. theta energy: -31.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -601.439407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.439407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.439407 (E_RNA) where: Base-Base interactions energy: -359.851 where: short stacking energy: -190.050 Base-Backbone interact. energy: -2.591 local terms energy: -238.997787 where: bonds (distance) C4'-P energy: -74.006 bonds (distance) P-C4' energy: -60.486 flat angles C4'-P-C4' energy: -63.510 flat angles P-C4'-P energy: -17.335 tors. eta vs tors. theta energy: -23.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -473.673047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.673047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.673047 (E_RNA) where: Base-Base interactions energy: -242.483 where: short stacking energy: -144.270 Base-Backbone interact. energy: 2.244 local terms energy: -233.433844 where: bonds (distance) C4'-P energy: -56.335 bonds (distance) P-C4' energy: -75.565 flat angles C4'-P-C4' energy: -45.049 flat angles P-C4'-P energy: -40.080 tors. eta vs tors. theta energy: -16.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1409.383297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.383297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.383297 (E_RNA) where: Base-Base interactions energy: -951.176 where: short stacking energy: -440.910 Base-Backbone interact. energy: -2.060 local terms energy: -456.147210 where: bonds (distance) C4'-P energy: -82.653 bonds (distance) P-C4' energy: -82.321 flat angles C4'-P-C4' energy: -94.622 flat angles P-C4'-P energy: -57.251 tors. eta vs tors. theta energy: -139.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1292.994843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.994843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.994843 (E_RNA) where: Base-Base interactions energy: -880.849 where: short stacking energy: -378.341 Base-Backbone interact. energy: -0.618 local terms energy: -411.528064 where: bonds (distance) C4'-P energy: -71.472 bonds (distance) P-C4' energy: -82.179 flat angles C4'-P-C4' energy: -87.353 flat angles P-C4'-P energy: -54.481 tors. eta vs tors. theta energy: -116.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1218.499599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.499599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.499599 (E_RNA) where: Base-Base interactions energy: -800.602 where: short stacking energy: -363.534 Base-Backbone interact. energy: -2.507 local terms energy: -415.390008 where: bonds (distance) C4'-P energy: -86.844 bonds (distance) P-C4' energy: -86.454 flat angles C4'-P-C4' energy: -86.866 flat angles P-C4'-P energy: -50.084 tors. eta vs tors. theta energy: -105.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1118.338392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.338392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.338392 (E_RNA) where: Base-Base interactions energy: -729.083 where: short stacking energy: -316.763 Base-Backbone interact. energy: -2.368 local terms energy: -386.887243 where: bonds (distance) C4'-P energy: -82.670 bonds (distance) P-C4' energy: -77.238 flat angles C4'-P-C4' energy: -82.947 flat angles P-C4'-P energy: -51.855 tors. eta vs tors. theta energy: -92.177 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: 4 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1049.459838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.459838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.459838 (E_RNA) where: Base-Base interactions energy: -685.391 where: short stacking energy: -326.622 Base-Backbone interact. energy: -1.577 local terms energy: -362.491812 where: bonds (distance) C4'-P energy: -64.837 bonds (distance) P-C4' energy: -71.768 flat angles C4'-P-C4' energy: -81.597 flat angles P-C4'-P energy: -56.702 tors. eta vs tors. theta energy: -87.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -886.847544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.847544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.847544 (E_RNA) where: Base-Base interactions energy: -554.251 where: short stacking energy: -257.712 Base-Backbone interact. energy: -2.738 local terms energy: -329.859282 where: bonds (distance) C4'-P energy: -76.233 bonds (distance) P-C4' energy: -69.556 flat angles C4'-P-C4' energy: -75.817 flat angles P-C4'-P energy: -52.433 tors. eta vs tors. theta energy: -55.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -777.851659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.851659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.851659 (E_RNA) where: Base-Base interactions energy: -473.300 where: short stacking energy: -231.275 Base-Backbone interact. energy: -2.440 local terms energy: -302.111551 where: bonds (distance) C4'-P energy: -69.585 bonds (distance) P-C4' energy: -76.070 flat angles C4'-P-C4' energy: -66.536 flat angles P-C4'-P energy: -46.200 tors. eta vs tors. theta energy: -43.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -593.138203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.138203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.138203 (E_RNA) where: Base-Base interactions energy: -341.464 where: short stacking energy: -167.385 Base-Backbone interact. energy: -0.879 local terms energy: -250.795104 where: bonds (distance) C4'-P energy: -50.522 bonds (distance) P-C4' energy: -75.059 flat angles C4'-P-C4' energy: -63.871 flat angles P-C4'-P energy: -45.510 tors. eta vs tors. theta energy: -15.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -674.639182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.639182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.639182 (E_RNA) where: Base-Base interactions energy: -403.405 where: short stacking energy: -192.130 Base-Backbone interact. energy: 1.674 local terms energy: -272.908223 where: bonds (distance) C4'-P energy: -64.191 bonds (distance) P-C4' energy: -70.927 flat angles C4'-P-C4' energy: -65.865 flat angles P-C4'-P energy: -32.912 tors. eta vs tors. theta energy: -39.014 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: 8 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -434.802083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.802083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.802083 (E_RNA) where: Base-Base interactions energy: -227.564 where: short stacking energy: -127.986 Base-Backbone interact. energy: 1.776 local terms energy: -209.014521 where: bonds (distance) C4'-P energy: -68.806 bonds (distance) P-C4' energy: -62.792 flat angles C4'-P-C4' energy: -48.915 flat angles P-C4'-P energy: -23.456 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1402.362609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.362609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.362609 (E_RNA) where: Base-Base interactions energy: -938.708 where: short stacking energy: -441.540 Base-Backbone interact. energy: -1.409 local terms energy: -462.245442 where: bonds (distance) C4'-P energy: -75.527 bonds (distance) P-C4' energy: -78.747 flat angles C4'-P-C4' energy: -102.766 flat angles P-C4'-P energy: -68.953 tors. eta vs tors. theta energy: -136.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1296.596309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.596309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.596309 (E_RNA) where: Base-Base interactions energy: -885.524 where: short stacking energy: -385.075 Base-Backbone interact. energy: -1.788 local terms energy: -409.284503 where: bonds (distance) C4'-P energy: -70.186 bonds (distance) P-C4' energy: -75.676 flat angles C4'-P-C4' energy: -83.471 flat angles P-C4'-P energy: -66.293 tors. eta vs tors. theta energy: -113.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1207.493645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.493645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.493645 (E_RNA) where: Base-Base interactions energy: -800.640 where: short stacking energy: -380.240 Base-Backbone interact. energy: -0.243 local terms energy: -406.610590 where: bonds (distance) C4'-P energy: -80.342 bonds (distance) P-C4' energy: -61.828 flat angles C4'-P-C4' energy: -92.179 flat angles P-C4'-P energy: -57.477 tors. eta vs tors. theta energy: -114.784 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: 2 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1108.803242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.803242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.803242 (E_RNA) where: Base-Base interactions energy: -727.083 where: short stacking energy: -300.842 Base-Backbone interact. energy: -2.287 local terms energy: -379.433485 where: bonds (distance) C4'-P energy: -76.978 bonds (distance) P-C4' energy: -85.344 flat angles C4'-P-C4' energy: -79.408 flat angles P-C4'-P energy: -56.212 tors. eta vs tors. theta energy: -81.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1016.285445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.285445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.285445 (E_RNA) where: Base-Base interactions energy: -669.229 where: short stacking energy: -292.648 Base-Backbone interact. energy: -0.070 local terms energy: -346.986363 where: bonds (distance) C4'-P energy: -70.987 bonds (distance) P-C4' energy: -65.312 flat angles C4'-P-C4' energy: -80.597 flat angles P-C4'-P energy: -48.544 tors. eta vs tors. theta energy: -81.547 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: 343 Temperature: 1.150000 Total energy: -896.310159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.310159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.310159 (E_RNA) where: Base-Base interactions energy: -549.104 where: short stacking energy: -271.765 Base-Backbone interact. energy: -2.106 local terms energy: -345.100131 where: bonds (distance) C4'-P energy: -76.166 bonds (distance) P-C4' energy: -79.335 flat angles C4'-P-C4' energy: -74.098 flat angles P-C4'-P energy: -45.017 tors. eta vs tors. theta energy: -70.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -756.985833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.985833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.985833 (E_RNA) where: Base-Base interactions energy: -460.693 where: short stacking energy: -236.136 Base-Backbone interact. energy: 1.014 local terms energy: -297.306458 where: bonds (distance) C4'-P energy: -67.762 bonds (distance) P-C4' energy: -62.812 flat angles C4'-P-C4' energy: -80.041 flat angles P-C4'-P energy: -39.645 tors. eta vs tors. theta energy: -47.046 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: 343 Temperature: 1.250000 Total energy: -718.479929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.479929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.479929 (E_RNA) where: Base-Base interactions energy: -440.850 where: short stacking energy: -213.588 Base-Backbone interact. energy: -1.851 local terms energy: -275.779400 where: bonds (distance) C4'-P energy: -61.731 bonds (distance) P-C4' energy: -70.111 flat angles C4'-P-C4' energy: -66.063 flat angles P-C4'-P energy: -32.426 tors. eta vs tors. theta energy: -45.449 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: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -592.320383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.320383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.320383 (E_RNA) where: Base-Base interactions energy: -336.502 where: short stacking energy: -172.654 Base-Backbone interact. energy: -1.766 local terms energy: -254.052790 where: bonds (distance) C4'-P energy: -51.860 bonds (distance) P-C4' energy: -65.705 flat angles C4'-P-C4' energy: -67.292 flat angles P-C4'-P energy: -54.609 tors. eta vs tors. theta energy: -14.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -464.729310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.729310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.729310 (E_RNA) where: Base-Base interactions energy: -230.246 where: short stacking energy: -125.546 Base-Backbone interact. energy: 1.589 local terms energy: -236.071470 where: bonds (distance) C4'-P energy: -67.329 bonds (distance) P-C4' energy: -64.937 flat angles C4'-P-C4' energy: -61.714 flat angles P-C4'-P energy: -36.917 tors. eta vs tors. theta energy: -5.175 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: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1408.153183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.153183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.153183 (E_RNA) where: Base-Base interactions energy: -966.881 where: short stacking energy: -436.902 Base-Backbone interact. energy: 1.435 local terms energy: -442.707310 where: bonds (distance) C4'-P energy: -78.237 bonds (distance) P-C4' energy: -79.358 flat angles C4'-P-C4' energy: -90.941 flat angles P-C4'-P energy: -60.254 tors. eta vs tors. theta energy: -133.918 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: 7 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1293.070020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.070020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.070020 (E_RNA) where: Base-Base interactions energy: -888.880 where: short stacking energy: -393.372 Base-Backbone interact. energy: -0.533 local terms energy: -403.657042 where: bonds (distance) C4'-P energy: -74.151 bonds (distance) P-C4' energy: -73.845 flat angles C4'-P-C4' energy: -84.124 flat angles P-C4'-P energy: -53.273 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: 3, replica: 9 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1223.548720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.548720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.548720 (E_RNA) where: Base-Base interactions energy: -814.467 where: short stacking energy: -389.108 Base-Backbone interact. energy: -0.302 local terms energy: -408.779680 where: bonds (distance) C4'-P energy: -78.303 bonds (distance) P-C4' energy: -78.108 flat angles C4'-P-C4' energy: -83.215 flat angles P-C4'-P energy: -60.752 tors. eta vs tors. theta energy: -108.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1122.727694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.727694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.727694 (E_RNA) where: Base-Base interactions energy: -740.060 where: short stacking energy: -315.634 Base-Backbone interact. energy: -0.954 local terms energy: -381.713554 where: bonds (distance) C4'-P energy: -75.955 bonds (distance) P-C4' energy: -71.744 flat angles C4'-P-C4' energy: -86.481 flat angles P-C4'-P energy: -61.331 tors. eta vs tors. theta energy: -86.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1060.911958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.911958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.911958 (E_RNA) where: Base-Base interactions energy: -680.317 where: short stacking energy: -307.987 Base-Backbone interact. energy: -0.042 local terms energy: -380.552867 where: bonds (distance) C4'-P energy: -65.903 bonds (distance) P-C4' energy: -80.370 flat angles C4'-P-C4' energy: -78.278 flat angles P-C4'-P energy: -63.794 tors. eta vs tors. theta energy: -92.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -937.546579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.546579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.546579 (E_RNA) where: Base-Base interactions energy: -599.614 where: short stacking energy: -286.139 Base-Backbone interact. energy: -0.197 local terms energy: -337.735746 where: bonds (distance) C4'-P energy: -67.010 bonds (distance) P-C4' energy: -68.335 flat angles C4'-P-C4' energy: -76.973 flat angles P-C4'-P energy: -47.807 tors. eta vs tors. theta energy: -77.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -800.272269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.272269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.272269 (E_RNA) where: Base-Base interactions energy: -506.474 where: short stacking energy: -263.028 Base-Backbone interact. energy: 0.294 local terms energy: -294.091945 where: bonds (distance) C4'-P energy: -62.958 bonds (distance) P-C4' energy: -57.968 flat angles C4'-P-C4' energy: -77.573 flat angles P-C4'-P energy: -36.952 tors. eta vs tors. theta energy: -58.641 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: 3 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -745.166462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.166462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.166462 (E_RNA) where: Base-Base interactions energy: -451.264 where: short stacking energy: -222.765 Base-Backbone interact. energy: -0.288 local terms energy: -293.614087 where: bonds (distance) C4'-P energy: -60.225 bonds (distance) P-C4' energy: -73.279 flat angles C4'-P-C4' energy: -66.608 flat angles P-C4'-P energy: -49.783 tors. eta vs tors. theta energy: -43.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -649.811188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.811188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.811188 (E_RNA) where: Base-Base interactions energy: -379.343 where: short stacking energy: -169.702 Base-Backbone interact. energy: -2.186 local terms energy: -268.282732 where: bonds (distance) C4'-P energy: -78.093 bonds (distance) P-C4' energy: -74.062 flat angles C4'-P-C4' energy: -54.943 flat angles P-C4'-P energy: -32.725 tors. eta vs tors. theta energy: -28.461 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: 8 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -485.457125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.457125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.457125 (E_RNA) where: Base-Base interactions energy: -266.370 where: short stacking energy: -143.806 Base-Backbone interact. energy: 3.802 local terms energy: -222.888512 where: bonds (distance) C4'-P energy: -76.975 bonds (distance) P-C4' energy: -60.947 flat angles C4'-P-C4' energy: -38.490 flat angles P-C4'-P energy: -30.348 tors. eta vs tors. theta energy: -16.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1416.514900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.514900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.514900 (E_RNA) where: Base-Base interactions energy: -959.160 where: short stacking energy: -441.093 Base-Backbone interact. energy: -0.832 local terms energy: -456.522899 where: bonds (distance) C4'-P energy: -86.025 bonds (distance) P-C4' energy: -82.091 flat angles C4'-P-C4' energy: -96.099 flat angles P-C4'-P energy: -59.416 tors. eta vs tors. theta energy: -132.892 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: 7 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1312.204478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.204478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.204478 (E_RNA) where: Base-Base interactions energy: -906.349 where: short stacking energy: -400.377 Base-Backbone interact. energy: -1.467 local terms energy: -404.388533 where: bonds (distance) C4'-P energy: -60.428 bonds (distance) P-C4' energy: -70.290 flat angles C4'-P-C4' energy: -93.883 flat angles P-C4'-P energy: -56.622 tors. eta vs tors. theta energy: -123.165 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: 345 Temperature: 1.000000 Total energy: -1206.685250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.685250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.685250 (E_RNA) where: Base-Base interactions energy: -823.833 where: short stacking energy: -375.916 Base-Backbone interact. energy: -1.694 local terms energy: -381.158401 where: bonds (distance) C4'-P energy: -71.878 bonds (distance) P-C4' energy: -77.509 flat angles C4'-P-C4' energy: -88.718 flat angles P-C4'-P energy: -37.343 tors. eta vs tors. theta energy: -105.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1112.834382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.834382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.834382 (E_RNA) where: Base-Base interactions energy: -749.641 where: short stacking energy: -331.135 Base-Backbone interact. energy: -1.346 local terms energy: -361.846922 where: bonds (distance) C4'-P energy: -60.471 bonds (distance) P-C4' energy: -78.128 flat angles C4'-P-C4' energy: -84.485 flat angles P-C4'-P energy: -48.756 tors. eta vs tors. theta energy: -90.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1023.690130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.690130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.690130 (E_RNA) where: Base-Base interactions energy: -673.865 where: short stacking energy: -310.557 Base-Backbone interact. energy: -1.294 local terms energy: -348.531935 where: bonds (distance) C4'-P energy: -59.705 bonds (distance) P-C4' energy: -70.447 flat angles C4'-P-C4' energy: -84.728 flat angles P-C4'-P energy: -55.433 tors. eta vs tors. theta energy: -78.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -888.397118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.397118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.397118 (E_RNA) where: Base-Base interactions energy: -579.728 where: short stacking energy: -260.899 Base-Backbone interact. energy: -0.745 local terms energy: -307.923711 where: bonds (distance) C4'-P energy: -65.338 bonds (distance) P-C4' energy: -70.453 flat angles C4'-P-C4' energy: -69.333 flat angles P-C4'-P energy: -36.568 tors. eta vs tors. theta energy: -66.232 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: 7, replica: 6 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -784.255990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.255990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.255990 (E_RNA) where: Base-Base interactions energy: -472.688 where: short stacking energy: -231.260 Base-Backbone interact. energy: -0.225 local terms energy: -311.343051 where: bonds (distance) C4'-P energy: -66.525 bonds (distance) P-C4' energy: -72.090 flat angles C4'-P-C4' energy: -76.153 flat angles P-C4'-P energy: -49.297 tors. eta vs tors. theta energy: -47.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -717.615542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.615542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.615542 (E_RNA) where: Base-Base interactions energy: -439.539 where: short stacking energy: -205.907 Base-Backbone interact. energy: 6.152 local terms energy: -284.228380 where: bonds (distance) C4'-P energy: -83.319 bonds (distance) P-C4' energy: -69.710 flat angles C4'-P-C4' energy: -67.649 flat angles P-C4'-P energy: -32.570 tors. eta vs tors. theta energy: -30.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -650.943138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.943138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.943138 (E_RNA) where: Base-Base interactions energy: -396.591 where: short stacking energy: -197.937 Base-Backbone interact. energy: 1.757 local terms energy: -256.109714 where: bonds (distance) C4'-P energy: -57.546 bonds (distance) P-C4' energy: -68.154 flat angles C4'-P-C4' energy: -75.509 flat angles P-C4'-P energy: -37.829 tors. eta vs tors. theta energy: -17.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -455.522521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.522521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.522521 (E_RNA) where: Base-Base interactions energy: -233.587 where: short stacking energy: -134.035 Base-Backbone interact. energy: -1.277 local terms energy: -220.658931 where: bonds (distance) C4'-P energy: -50.465 bonds (distance) P-C4' energy: -67.614 flat angles C4'-P-C4' energy: -62.092 flat angles P-C4'-P energy: -24.625 tors. eta vs tors. theta energy: -15.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1397.983729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.983729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.983729 (E_RNA) where: Base-Base interactions energy: -962.875 where: short stacking energy: -427.102 Base-Backbone interact. energy: -2.032 local terms energy: -433.077571 where: bonds (distance) C4'-P energy: -69.960 bonds (distance) P-C4' energy: -86.070 flat angles C4'-P-C4' energy: -87.029 flat angles P-C4'-P energy: -62.008 tors. eta vs tors. theta energy: -128.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1304.276705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.276705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.276705 (E_RNA) where: Base-Base interactions energy: -908.065 where: short stacking energy: -364.382 Base-Backbone interact. energy: 1.372 local terms energy: -397.582984 where: bonds (distance) C4'-P energy: -71.575 bonds (distance) P-C4' energy: -76.787 flat angles C4'-P-C4' energy: -82.398 flat angles P-C4'-P energy: -60.540 tors. eta vs tors. theta energy: -106.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1199.987851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.987851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.987851 (E_RNA) where: Base-Base interactions energy: -788.590 where: short stacking energy: -360.109 Base-Backbone interact. energy: -2.129 local terms energy: -409.268231 where: bonds (distance) C4'-P energy: -71.629 bonds (distance) P-C4' energy: -84.662 flat angles C4'-P-C4' energy: -85.539 flat angles P-C4'-P energy: -65.722 tors. eta vs tors. theta energy: -101.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1126.904179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.904179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.904179 (E_RNA) where: Base-Base interactions energy: -740.275 where: short stacking energy: -329.420 Base-Backbone interact. energy: -1.879 local terms energy: -384.749909 where: bonds (distance) C4'-P energy: -79.199 bonds (distance) P-C4' energy: -82.089 flat angles C4'-P-C4' energy: -84.231 flat angles P-C4'-P energy: -55.476 tors. eta vs tors. theta energy: -83.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1051.867960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.867960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.867960 (E_RNA) where: Base-Base interactions energy: -683.466 where: short stacking energy: -321.454 Base-Backbone interact. energy: -1.086 local terms energy: -367.315783 where: bonds (distance) C4'-P energy: -68.861 bonds (distance) P-C4' energy: -73.161 flat angles C4'-P-C4' energy: -84.709 flat angles P-C4'-P energy: -52.262 tors. eta vs tors. theta energy: -88.322 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: 346 Temperature: 1.150000 Total energy: -909.588584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.588584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.588584 (E_RNA) where: Base-Base interactions energy: -572.540 where: short stacking energy: -272.306 Base-Backbone interact. energy: 0.358 local terms energy: -337.406108 where: bonds (distance) C4'-P energy: -64.946 bonds (distance) P-C4' energy: -81.429 flat angles C4'-P-C4' energy: -72.119 flat angles P-C4'-P energy: -47.011 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: 7, replica: 3 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -752.773936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.773936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.773936 (E_RNA) where: Base-Base interactions energy: -455.653 where: short stacking energy: -217.152 Base-Backbone interact. energy: -0.836 local terms energy: -296.284484 where: bonds (distance) C4'-P energy: -71.999 bonds (distance) P-C4' energy: -81.055 flat angles C4'-P-C4' energy: -63.393 flat angles P-C4'-P energy: -44.361 tors. eta vs tors. theta energy: -35.476 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: 6 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -741.407224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.407224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.407224 (E_RNA) where: Base-Base interactions energy: -472.358 where: short stacking energy: -229.964 Base-Backbone interact. energy: 1.727 local terms energy: -270.776798 where: bonds (distance) C4'-P energy: -62.476 bonds (distance) P-C4' energy: -58.526 flat angles C4'-P-C4' energy: -67.702 flat angles P-C4'-P energy: -43.432 tors. eta vs tors. theta energy: -38.640 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: 5 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -628.763351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.763351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.763351 (E_RNA) where: Base-Base interactions energy: -364.850 where: short stacking energy: -165.353 Base-Backbone interact. energy: -0.497 local terms energy: -263.416200 where: bonds (distance) C4'-P energy: -65.907 bonds (distance) P-C4' energy: -72.389 flat angles C4'-P-C4' energy: -57.209 flat angles P-C4'-P energy: -38.770 tors. eta vs tors. theta energy: -29.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -474.144586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.144586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.144586 (E_RNA) where: Base-Base interactions energy: -242.236 where: short stacking energy: -145.060 Base-Backbone interact. energy: 0.130 local terms energy: -232.038376 where: bonds (distance) C4'-P energy: -62.431 bonds (distance) P-C4' energy: -65.597 flat angles C4'-P-C4' energy: -54.957 flat angles P-C4'-P energy: -44.899 tors. eta vs tors. theta energy: -4.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1400.993888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.993888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.993888 (E_RNA) where: Base-Base interactions energy: -952.625 where: short stacking energy: -437.286 Base-Backbone interact. energy: -1.086 local terms energy: -447.283563 where: bonds (distance) C4'-P energy: -81.070 bonds (distance) P-C4' energy: -84.514 flat angles C4'-P-C4' energy: -83.392 flat angles P-C4'-P energy: -66.569 tors. eta vs tors. theta energy: -131.740 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: 7 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1294.525470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.525470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.525470 (E_RNA) where: Base-Base interactions energy: -865.315 where: short stacking energy: -374.698 Base-Backbone interact. energy: -0.700 local terms energy: -428.511161 where: bonds (distance) C4'-P energy: -77.726 bonds (distance) P-C4' energy: -77.055 flat angles C4'-P-C4' energy: -89.787 flat angles P-C4'-P energy: -68.860 tors. eta vs tors. theta energy: -115.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1225.638221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.638221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.638221 (E_RNA) where: Base-Base interactions energy: -805.233 where: short stacking energy: -355.951 Base-Backbone interact. energy: -2.349 local terms energy: -418.056424 where: bonds (distance) C4'-P energy: -74.777 bonds (distance) P-C4' energy: -79.571 flat angles C4'-P-C4' energy: -86.278 flat angles P-C4'-P energy: -63.829 tors. eta vs tors. theta energy: -113.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1096.576706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.576706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.576706 (E_RNA) where: Base-Base interactions energy: -736.013 where: short stacking energy: -315.083 Base-Backbone interact. energy: -2.178 local terms energy: -358.385125 where: bonds (distance) C4'-P energy: -63.991 bonds (distance) P-C4' energy: -77.414 flat angles C4'-P-C4' energy: -76.864 flat angles P-C4'-P energy: -47.339 tors. eta vs tors. theta energy: -92.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1076.504494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.504494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.504494 (E_RNA) where: Base-Base interactions energy: -708.332 where: short stacking energy: -305.060 Base-Backbone interact. energy: -4.212 local terms energy: -363.960325 where: bonds (distance) C4'-P energy: -56.140 bonds (distance) P-C4' energy: -69.720 flat angles C4'-P-C4' energy: -90.610 flat angles P-C4'-P energy: -58.419 tors. eta vs tors. theta energy: -89.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -856.416671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.416671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.416671 (E_RNA) where: Base-Base interactions energy: -551.924 where: short stacking energy: -251.128 Base-Backbone interact. energy: -1.788 local terms energy: -302.704156 where: bonds (distance) C4'-P energy: -60.553 bonds (distance) P-C4' energy: -68.679 flat angles C4'-P-C4' energy: -74.316 flat angles P-C4'-P energy: -36.921 tors. eta vs tors. theta energy: -62.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -740.729500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.729500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.729500 (E_RNA) where: Base-Base interactions energy: -446.744 where: short stacking energy: -203.767 Base-Backbone interact. energy: -1.726 local terms energy: -292.259799 where: bonds (distance) C4'-P energy: -51.852 bonds (distance) P-C4' energy: -66.574 flat angles C4'-P-C4' energy: -66.805 flat angles P-C4'-P energy: -53.546 tors. eta vs tors. theta energy: -53.483 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: 6 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -688.902889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.902889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.902889 (E_RNA) where: Base-Base interactions energy: -394.999 where: short stacking energy: -189.518 Base-Backbone interact. energy: -3.256 local terms energy: -290.647882 where: bonds (distance) C4'-P energy: -76.083 bonds (distance) P-C4' energy: -73.167 flat angles C4'-P-C4' energy: -56.801 flat angles P-C4'-P energy: -47.588 tors. eta vs tors. theta energy: -37.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -596.391610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.391610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.391610 (E_RNA) where: Base-Base interactions energy: -344.016 where: short stacking energy: -170.319 Base-Backbone interact. energy: 6.261 local terms energy: -258.636565 where: bonds (distance) C4'-P energy: -61.564 bonds (distance) P-C4' energy: -77.412 flat angles C4'-P-C4' energy: -68.090 flat angles P-C4'-P energy: -33.869 tors. eta vs tors. theta energy: -17.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -417.182037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.182037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.182037 (E_RNA) where: Base-Base interactions energy: -197.946 where: short stacking energy: -113.838 Base-Backbone interact. energy: 1.719 local terms energy: -220.954835 where: bonds (distance) C4'-P energy: -69.624 bonds (distance) P-C4' energy: -66.691 flat angles C4'-P-C4' energy: -53.925 flat angles P-C4'-P energy: -34.652 tors. eta vs tors. theta energy: 3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1388.382767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.382767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.382767 (E_RNA) where: Base-Base interactions energy: -939.580 where: short stacking energy: -426.382 Base-Backbone interact. energy: -2.605 local terms energy: -446.197830 where: bonds (distance) C4'-P energy: -86.695 bonds (distance) P-C4' energy: -74.024 flat angles C4'-P-C4' energy: -94.982 flat angles P-C4'-P energy: -64.606 tors. eta vs tors. theta energy: -125.890 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: 7 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1302.917096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.917096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.917096 (E_RNA) where: Base-Base interactions energy: -885.818 where: short stacking energy: -388.791 Base-Backbone interact. energy: 0.648 local terms energy: -417.747529 where: bonds (distance) C4'-P energy: -70.631 bonds (distance) P-C4' energy: -72.421 flat angles C4'-P-C4' energy: -87.553 flat angles P-C4'-P energy: -69.618 tors. eta vs tors. theta energy: -117.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1232.411336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.411336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.411336 (E_RNA) where: Base-Base interactions energy: -817.853 where: short stacking energy: -379.072 Base-Backbone interact. energy: -1.669 local terms energy: -412.890131 where: bonds (distance) C4'-P energy: -73.853 bonds (distance) P-C4' energy: -86.246 flat angles C4'-P-C4' energy: -85.489 flat angles P-C4'-P energy: -58.857 tors. eta vs tors. theta energy: -108.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1132.265371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.265371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.265371 (E_RNA) where: Base-Base interactions energy: -766.240 where: short stacking energy: -329.021 Base-Backbone interact. energy: -0.993 local terms energy: -365.032253 where: bonds (distance) C4'-P energy: -60.958 bonds (distance) P-C4' energy: -81.283 flat angles C4'-P-C4' energy: -93.472 flat angles P-C4'-P energy: -44.315 tors. eta vs tors. theta energy: -85.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1114.294435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.294435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.294435 (E_RNA) where: Base-Base interactions energy: -742.760 where: short stacking energy: -363.257 Base-Backbone interact. energy: -0.536 local terms energy: -370.998503 where: bonds (distance) C4'-P energy: -68.098 bonds (distance) P-C4' energy: -76.904 flat angles C4'-P-C4' energy: -74.716 flat angles P-C4'-P energy: -46.997 tors. eta vs tors. theta energy: -104.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -854.424224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.424224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.424224 (E_RNA) where: Base-Base interactions energy: -526.290 where: short stacking energy: -246.911 Base-Backbone interact. energy: 0.762 local terms energy: -328.896712 where: bonds (distance) C4'-P energy: -59.688 bonds (distance) P-C4' energy: -82.230 flat angles C4'-P-C4' energy: -77.641 flat angles P-C4'-P energy: -48.058 tors. eta vs tors. theta energy: -61.279 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: 348 Temperature: 1.200000 Total energy: -752.773561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.773561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.773561 (E_RNA) where: Base-Base interactions energy: -456.188 where: short stacking energy: -232.632 Base-Backbone interact. energy: -1.646 local terms energy: -294.939996 where: bonds (distance) C4'-P energy: -64.054 bonds (distance) P-C4' energy: -76.222 flat angles C4'-P-C4' energy: -68.223 flat angles P-C4'-P energy: -49.758 tors. eta vs tors. theta energy: -36.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -665.207461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.207461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.207461 (E_RNA) where: Base-Base interactions energy: -366.941 where: short stacking energy: -198.580 Base-Backbone interact. energy: 2.639 local terms energy: -300.905510 where: bonds (distance) C4'-P energy: -68.387 bonds (distance) P-C4' energy: -73.313 flat angles C4'-P-C4' energy: -75.080 flat angles P-C4'-P energy: -42.741 tors. eta vs tors. theta energy: -41.385 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: 5 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -639.351438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.351438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.351438 (E_RNA) where: Base-Base interactions energy: -367.966 where: short stacking energy: -209.050 Base-Backbone interact. energy: -0.212 local terms energy: -271.173362 where: bonds (distance) C4'-P energy: -64.850 bonds (distance) P-C4' energy: -59.019 flat angles C4'-P-C4' energy: -61.683 flat angles P-C4'-P energy: -46.151 tors. eta vs tors. theta energy: -39.470 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: 348 Temperature: 1.350000 Total energy: -471.927790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.927790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.927790 (E_RNA) where: Base-Base interactions energy: -251.477 where: short stacking energy: -166.400 Base-Backbone interact. energy: 0.500 local terms energy: -220.950248 where: bonds (distance) C4'-P energy: -49.654 bonds (distance) P-C4' energy: -68.439 flat angles C4'-P-C4' energy: -54.320 flat angles P-C4'-P energy: -25.941 tors. eta vs tors. theta energy: -22.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1419.299153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.299153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.299153 (E_RNA) where: Base-Base interactions energy: -959.749 where: short stacking energy: -429.102 Base-Backbone interact. energy: -1.849 local terms energy: -457.701061 where: bonds (distance) C4'-P energy: -71.300 bonds (distance) P-C4' energy: -89.899 flat angles C4'-P-C4' energy: -98.458 flat angles P-C4'-P energy: -64.288 tors. eta vs tors. theta energy: -133.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1282.969919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.969919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.969919 (E_RNA) where: Base-Base interactions energy: -856.645 where: short stacking energy: -394.117 Base-Backbone interact. energy: -0.381 local terms energy: -425.943387 where: bonds (distance) C4'-P energy: -74.295 bonds (distance) P-C4' energy: -77.619 flat angles C4'-P-C4' energy: -87.891 flat angles P-C4'-P energy: -65.980 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: 3, replica: 7 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1251.741099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.741099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.741099 (E_RNA) where: Base-Base interactions energy: -848.689 where: short stacking energy: -374.226 Base-Backbone interact. energy: -0.407 local terms energy: -402.645361 where: bonds (distance) C4'-P energy: -71.335 bonds (distance) P-C4' energy: -76.638 flat angles C4'-P-C4' energy: -80.522 flat angles P-C4'-P energy: -55.801 tors. eta vs tors. theta energy: -118.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1092.929714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.929714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.929714 (E_RNA) where: Base-Base interactions energy: -748.143 where: short stacking energy: -327.533 Base-Backbone interact. energy: -1.573 local terms energy: -343.214392 where: bonds (distance) C4'-P energy: -63.513 bonds (distance) P-C4' energy: -64.496 flat angles C4'-P-C4' energy: -83.892 flat angles P-C4'-P energy: -46.093 tors. eta vs tors. theta energy: -85.221 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: 4 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1106.894673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.894673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.894673 (E_RNA) where: Base-Base interactions energy: -739.735 where: short stacking energy: -342.967 Base-Backbone interact. energy: -2.281 local terms energy: -364.878408 where: bonds (distance) C4'-P energy: -61.852 bonds (distance) P-C4' energy: -77.607 flat angles C4'-P-C4' energy: -73.059 flat angles P-C4'-P energy: -35.728 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: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -872.353744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.353744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.353744 (E_RNA) where: Base-Base interactions energy: -539.281 where: short stacking energy: -248.237 Base-Backbone interact. energy: -0.038 local terms energy: -333.035230 where: bonds (distance) C4'-P energy: -64.415 bonds (distance) P-C4' energy: -79.276 flat angles C4'-P-C4' energy: -76.277 flat angles P-C4'-P energy: -47.611 tors. eta vs tors. theta energy: -65.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -790.746699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.746699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.746699 (E_RNA) where: Base-Base interactions energy: -479.928 where: short stacking energy: -235.158 Base-Backbone interact. energy: -0.305 local terms energy: -310.514186 where: bonds (distance) C4'-P energy: -57.006 bonds (distance) P-C4' energy: -74.170 flat angles C4'-P-C4' energy: -75.478 flat angles P-C4'-P energy: -52.135 tors. eta vs tors. theta energy: -51.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -625.939267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.939267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.939267 (E_RNA) where: Base-Base interactions energy: -351.795 where: short stacking energy: -171.586 Base-Backbone interact. energy: 1.929 local terms energy: -276.073242 where: bonds (distance) C4'-P energy: -62.399 bonds (distance) P-C4' energy: -66.144 flat angles C4'-P-C4' energy: -74.867 flat angles P-C4'-P energy: -43.223 tors. eta vs tors. theta energy: -29.440 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: 9, replica: 6 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -635.338987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.338987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.338987 (E_RNA) where: Base-Base interactions energy: -367.607 where: short stacking energy: -176.317 Base-Backbone interact. energy: -1.350 local terms energy: -266.382357 where: bonds (distance) C4'-P energy: -67.375 bonds (distance) P-C4' energy: -73.617 flat angles C4'-P-C4' energy: -65.063 flat angles P-C4'-P energy: -22.419 tors. eta vs tors. theta energy: -37.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -458.293559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.293559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.293559 (E_RNA) where: Base-Base interactions energy: -223.751 where: short stacking energy: -138.401 Base-Backbone interact. energy: 1.732 local terms energy: -236.274409 where: bonds (distance) C4'-P energy: -74.578 bonds (distance) P-C4' energy: -70.943 flat angles C4'-P-C4' energy: -53.487 flat angles P-C4'-P energy: -25.284 tors. eta vs tors. theta energy: -11.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1385.093383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.093383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.093383 (E_RNA) where: Base-Base interactions energy: -941.177 where: short stacking energy: -418.393 Base-Backbone interact. energy: -2.374 local terms energy: -441.542400 where: bonds (distance) C4'-P energy: -76.963 bonds (distance) P-C4' energy: -76.632 flat angles C4'-P-C4' energy: -99.394 flat angles P-C4'-P energy: -60.820 tors. eta vs tors. theta energy: -127.733 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: 9 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1292.449534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.449534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.449534 (E_RNA) where: Base-Base interactions energy: -853.198 where: short stacking energy: -431.716 Base-Backbone interact. energy: -1.238 local terms energy: -438.014397 where: bonds (distance) C4'-P energy: -70.653 bonds (distance) P-C4' energy: -73.139 flat angles C4'-P-C4' energy: -101.355 flat angles P-C4'-P energy: -64.176 tors. eta vs tors. theta energy: -128.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1254.484601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.484601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.484601 (E_RNA) where: Base-Base interactions energy: -852.382 where: short stacking energy: -366.894 Base-Backbone interact. energy: 3.405 local terms energy: -405.507507 where: bonds (distance) C4'-P energy: -67.593 bonds (distance) P-C4' energy: -83.199 flat angles C4'-P-C4' energy: -86.678 flat angles P-C4'-P energy: -64.267 tors. eta vs tors. theta energy: -103.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1094.984006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.984006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.984006 (E_RNA) where: Base-Base interactions energy: -734.106 where: short stacking energy: -321.230 Base-Backbone interact. energy: -1.969 local terms energy: -358.908715 where: bonds (distance) C4'-P energy: -73.393 bonds (distance) P-C4' energy: -77.324 flat angles C4'-P-C4' energy: -76.791 flat angles P-C4'-P energy: -47.963 tors. eta vs tors. theta energy: -83.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1137.696624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.696624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.696624 (E_RNA) where: Base-Base interactions energy: -752.637 where: short stacking energy: -328.727 Base-Backbone interact. energy: -0.290 local terms energy: -384.769532 where: bonds (distance) C4'-P energy: -64.716 bonds (distance) P-C4' energy: -82.818 flat angles C4'-P-C4' energy: -76.091 flat angles P-C4'-P energy: -55.087 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: 6, replica: 1 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -849.642850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.642850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.642850 (E_RNA) where: Base-Base interactions energy: -512.568 where: short stacking energy: -229.907 Base-Backbone interact. energy: -2.624 local terms energy: -334.451217 where: bonds (distance) C4'-P energy: -80.241 bonds (distance) P-C4' energy: -77.552 flat angles C4'-P-C4' energy: -81.862 flat angles P-C4'-P energy: -38.762 tors. eta vs tors. theta energy: -56.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -785.606983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.606983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.606983 (E_RNA) where: Base-Base interactions energy: -459.993 where: short stacking energy: -222.463 Base-Backbone interact. energy: -2.567 local terms energy: -323.046930 where: bonds (distance) C4'-P energy: -70.049 bonds (distance) P-C4' energy: -80.251 flat angles C4'-P-C4' energy: -71.832 flat angles P-C4'-P energy: -48.359 tors. eta vs tors. theta energy: -52.557 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: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -636.426354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.426354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.426354 (E_RNA) where: Base-Base interactions energy: -366.809 where: short stacking energy: -185.998 Base-Backbone interact. energy: -1.567 local terms energy: -268.050384 where: bonds (distance) C4'-P energy: -59.511 bonds (distance) P-C4' energy: -69.100 flat angles C4'-P-C4' energy: -65.002 flat angles P-C4'-P energy: -34.410 tors. eta vs tors. theta energy: -40.026 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: 6 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -648.302882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.302882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.302882 (E_RNA) where: Base-Base interactions energy: -391.560 where: short stacking energy: -200.134 Base-Backbone interact. energy: -1.423 local terms energy: -255.319262 where: bonds (distance) C4'-P energy: -64.631 bonds (distance) P-C4' energy: -72.721 flat angles C4'-P-C4' energy: -51.772 flat angles P-C4'-P energy: -32.020 tors. eta vs tors. theta energy: -34.174 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: 10, replica: 8 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -451.549803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.549803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.549803 (E_RNA) where: Base-Base interactions energy: -235.814 where: short stacking energy: -137.984 Base-Backbone interact. energy: -2.258 local terms energy: -213.477640 where: bonds (distance) C4'-P energy: -64.317 bonds (distance) P-C4' energy: -54.853 flat angles C4'-P-C4' energy: -61.572 flat angles P-C4'-P energy: -30.105 tors. eta vs tors. theta energy: -2.631 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: 10 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1398.071975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.071975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.071975 (E_RNA) where: Base-Base interactions energy: -942.286 where: short stacking energy: -417.437 Base-Backbone interact. energy: -1.306 local terms energy: -454.479561 where: bonds (distance) C4'-P energy: -87.301 bonds (distance) P-C4' energy: -84.638 flat angles C4'-P-C4' energy: -94.801 flat angles P-C4'-P energy: -62.036 tors. eta vs tors. theta energy: -125.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1313.380478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.380478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.380478 (E_RNA) where: Base-Base interactions energy: -875.069 where: short stacking energy: -429.149 Base-Backbone interact. energy: -0.006 local terms energy: -438.304677 where: bonds (distance) C4'-P energy: -77.503 bonds (distance) P-C4' energy: -78.628 flat angles C4'-P-C4' energy: -83.678 flat angles P-C4'-P energy: -61.868 tors. eta vs tors. theta energy: -136.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1243.723778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.723778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.723778 (E_RNA) where: Base-Base interactions energy: -854.482 where: short stacking energy: -380.287 Base-Backbone interact. energy: -0.874 local terms energy: -388.367943 where: bonds (distance) C4'-P energy: -76.942 bonds (distance) P-C4' energy: -68.560 flat angles C4'-P-C4' energy: -88.026 flat angles P-C4'-P energy: -44.884 tors. eta vs tors. theta energy: -109.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1135.618949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.618949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.618949 (E_RNA) where: Base-Base interactions energy: -745.397 where: short stacking energy: -312.746 Base-Backbone interact. energy: 0.037 local terms energy: -390.258763 where: bonds (distance) C4'-P energy: -71.274 bonds (distance) P-C4' energy: -74.573 flat angles C4'-P-C4' energy: -84.370 flat angles P-C4'-P energy: -60.451 tors. eta vs tors. theta energy: -99.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1090.767650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.767650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.767650 (E_RNA) where: Base-Base interactions energy: -738.689 where: short stacking energy: -318.325 Base-Backbone interact. energy: -1.761 local terms energy: -350.317420 where: bonds (distance) C4'-P energy: -62.500 bonds (distance) P-C4' energy: -76.227 flat angles C4'-P-C4' energy: -76.607 flat angles P-C4'-P energy: -50.514 tors. eta vs tors. theta energy: -84.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -861.809568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.809568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.809568 (E_RNA) where: Base-Base interactions energy: -556.975 where: short stacking energy: -257.196 Base-Backbone interact. energy: -0.684 local terms energy: -304.150681 where: bonds (distance) C4'-P energy: -68.330 bonds (distance) P-C4' energy: -63.394 flat angles C4'-P-C4' energy: -62.314 flat angles P-C4'-P energy: -49.493 tors. eta vs tors. theta energy: -60.620 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: 351 Temperature: 1.200000 Total energy: -784.580728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.580728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.580728 (E_RNA) where: Base-Base interactions energy: -474.707 where: short stacking energy: -250.825 Base-Backbone interact. energy: -0.580 local terms energy: -309.293164 where: bonds (distance) C4'-P energy: -67.994 bonds (distance) P-C4' energy: -74.522 flat angles C4'-P-C4' energy: -72.664 flat angles P-C4'-P energy: -46.260 tors. eta vs tors. theta energy: -47.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -715.066391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.066391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.066391 (E_RNA) where: Base-Base interactions energy: -433.656 where: short stacking energy: -203.579 Base-Backbone interact. energy: -0.746 local terms energy: -280.664581 where: bonds (distance) C4'-P energy: -68.455 bonds (distance) P-C4' energy: -65.011 flat angles C4'-P-C4' energy: -75.755 flat angles P-C4'-P energy: -49.050 tors. eta vs tors. theta energy: -22.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -581.950729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.950729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.950729 (E_RNA) where: Base-Base interactions energy: -332.679 where: short stacking energy: -165.575 Base-Backbone interact. energy: -0.117 local terms energy: -249.154890 where: bonds (distance) C4'-P energy: -72.379 bonds (distance) P-C4' energy: -72.235 flat angles C4'-P-C4' energy: -57.325 flat angles P-C4'-P energy: -32.138 tors. eta vs tors. theta energy: -15.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -466.639352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.639352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.639352 (E_RNA) where: Base-Base interactions energy: -244.877 where: short stacking energy: -132.798 Base-Backbone interact. energy: 0.240 local terms energy: -222.002834 where: bonds (distance) C4'-P energy: -76.001 bonds (distance) P-C4' energy: -52.107 flat angles C4'-P-C4' energy: -59.080 flat angles P-C4'-P energy: -29.722 tors. eta vs tors. theta energy: -5.093 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: 10 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1401.456936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.456936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.456936 (E_RNA) where: Base-Base interactions energy: -968.309 where: short stacking energy: -449.606 Base-Backbone interact. energy: -1.281 local terms energy: -431.867323 where: bonds (distance) C4'-P energy: -72.347 bonds (distance) P-C4' energy: -71.401 flat angles C4'-P-C4' energy: -93.054 flat angles P-C4'-P energy: -63.463 tors. eta vs tors. theta energy: -131.603 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: 9 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1259.323758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.323758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.323758 (E_RNA) where: Base-Base interactions energy: -829.246 where: short stacking energy: -405.634 Base-Backbone interact. energy: -1.324 local terms energy: -428.753177 where: bonds (distance) C4'-P energy: -66.691 bonds (distance) P-C4' energy: -82.527 flat angles C4'-P-C4' energy: -95.970 flat angles P-C4'-P energy: -63.655 tors. eta vs tors. theta energy: -119.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1261.168961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.168961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.168961 (E_RNA) where: Base-Base interactions energy: -872.021 where: short stacking energy: -367.964 Base-Backbone interact. energy: 4.077 local terms energy: -393.225152 where: bonds (distance) C4'-P energy: -67.665 bonds (distance) P-C4' energy: -71.304 flat angles C4'-P-C4' energy: -91.439 flat angles P-C4'-P energy: -58.565 tors. eta vs tors. theta energy: -104.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1166.113035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.113035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.113035 (E_RNA) where: Base-Base interactions energy: -778.045 where: short stacking energy: -352.465 Base-Backbone interact. energy: -1.041 local terms energy: -387.027264 where: bonds (distance) C4'-P energy: -69.957 bonds (distance) P-C4' energy: -78.552 flat angles C4'-P-C4' energy: -85.522 flat angles P-C4'-P energy: -53.856 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: 5, replica: 2 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1055.910914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.910914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.910914 (E_RNA) where: Base-Base interactions energy: -730.417 where: short stacking energy: -331.317 Base-Backbone interact. energy: 0.022 local terms energy: -325.516509 where: bonds (distance) C4'-P energy: -61.935 bonds (distance) P-C4' energy: -52.344 flat angles C4'-P-C4' energy: -81.918 flat angles P-C4'-P energy: -44.613 tors. eta vs tors. theta energy: -84.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -886.432015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.432015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.432015 (E_RNA) where: Base-Base interactions energy: -557.272 where: short stacking energy: -275.657 Base-Backbone interact. energy: -1.074 local terms energy: -328.086335 where: bonds (distance) C4'-P energy: -63.571 bonds (distance) P-C4' energy: -77.097 flat angles C4'-P-C4' energy: -69.145 flat angles P-C4'-P energy: -43.474 tors. eta vs tors. theta energy: -74.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -743.153418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.153418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.153418 (E_RNA) where: Base-Base interactions energy: -430.686 where: short stacking energy: -220.609 Base-Backbone interact. energy: -1.883 local terms energy: -310.584123 where: bonds (distance) C4'-P energy: -74.009 bonds (distance) P-C4' energy: -69.423 flat angles C4'-P-C4' energy: -65.045 flat angles P-C4'-P energy: -44.458 tors. eta vs tors. theta energy: -57.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -667.121776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.121776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.121776 (E_RNA) where: Base-Base interactions energy: -389.451 where: short stacking energy: -199.302 Base-Backbone interact. energy: 0.018 local terms energy: -277.688668 where: bonds (distance) C4'-P energy: -66.268 bonds (distance) P-C4' energy: -68.620 flat angles C4'-P-C4' energy: -65.443 flat angles P-C4'-P energy: -42.278 tors. eta vs tors. theta energy: -35.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -595.187731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.187731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.187731 (E_RNA) where: Base-Base interactions energy: -349.814 where: short stacking energy: -174.095 Base-Backbone interact. energy: -1.596 local terms energy: -243.777976 where: bonds (distance) C4'-P energy: -57.440 bonds (distance) P-C4' energy: -68.919 flat angles C4'-P-C4' energy: -50.207 flat angles P-C4'-P energy: -41.355 tors. eta vs tors. theta energy: -25.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -451.600952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.600952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.600952 (E_RNA) where: Base-Base interactions energy: -231.292 where: short stacking energy: -123.535 Base-Backbone interact. energy: -0.694 local terms energy: -219.614089 where: bonds (distance) C4'-P energy: -52.483 bonds (distance) P-C4' energy: -61.378 flat angles C4'-P-C4' energy: -59.825 flat angles P-C4'-P energy: -33.661 tors. eta vs tors. theta energy: -12.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1396.606475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.606475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.606475 (E_RNA) where: Base-Base interactions energy: -955.494 where: short stacking energy: -431.787 Base-Backbone interact. energy: -1.349 local terms energy: -439.763305 where: bonds (distance) C4'-P energy: -73.612 bonds (distance) P-C4' energy: -69.049 flat angles C4'-P-C4' energy: -98.440 flat angles P-C4'-P energy: -67.172 tors. eta vs tors. theta energy: -131.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1270.910878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.910878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.910878 (E_RNA) where: Base-Base interactions energy: -830.158 where: short stacking energy: -383.099 Base-Backbone interact. energy: -1.856 local terms energy: -438.897144 where: bonds (distance) C4'-P energy: -83.834 bonds (distance) P-C4' energy: -77.438 flat angles C4'-P-C4' energy: -86.737 flat angles P-C4'-P energy: -69.129 tors. eta vs tors. theta energy: -121.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1243.647679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.647679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.647679 (E_RNA) where: Base-Base interactions energy: -840.844 where: short stacking energy: -352.373 Base-Backbone interact. energy: -1.385 local terms energy: -401.419374 where: bonds (distance) C4'-P energy: -71.366 bonds (distance) P-C4' energy: -85.827 flat angles C4'-P-C4' energy: -78.128 flat angles P-C4'-P energy: -62.415 tors. eta vs tors. theta energy: -103.683 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: 4 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1172.437198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.437198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.437198 (E_RNA) where: Base-Base interactions energy: -777.825 where: short stacking energy: -353.201 Base-Backbone interact. energy: 2.733 local terms energy: -397.344927 where: bonds (distance) C4'-P energy: -80.075 bonds (distance) P-C4' energy: -75.930 flat angles C4'-P-C4' energy: -84.433 flat angles P-C4'-P energy: -51.632 tors. eta vs tors. theta energy: -105.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1060.662733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.662733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.662733 (E_RNA) where: Base-Base interactions energy: -708.832 where: short stacking energy: -315.676 Base-Backbone interact. energy: -1.788 local terms energy: -350.043253 where: bonds (distance) C4'-P energy: -75.438 bonds (distance) P-C4' energy: -67.653 flat angles C4'-P-C4' energy: -70.077 flat angles P-C4'-P energy: -57.015 tors. eta vs tors. theta energy: -79.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -879.338784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.338784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.338784 (E_RNA) where: Base-Base interactions energy: -566.059 where: short stacking energy: -260.709 Base-Backbone interact. energy: 1.432 local terms energy: -314.710999 where: bonds (distance) C4'-P energy: -54.584 bonds (distance) P-C4' energy: -73.920 flat angles C4'-P-C4' energy: -70.710 flat angles P-C4'-P energy: -50.280 tors. eta vs tors. theta energy: -65.217 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: 3 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -709.139581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.139581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.139581 (E_RNA) where: Base-Base interactions energy: -427.866 where: short stacking energy: -204.804 Base-Backbone interact. energy: 3.279 local terms energy: -284.552667 where: bonds (distance) C4'-P energy: -64.351 bonds (distance) P-C4' energy: -75.784 flat angles C4'-P-C4' energy: -71.136 flat angles P-C4'-P energy: -38.000 tors. eta vs tors. theta energy: -35.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -687.187673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.187673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.187673 (E_RNA) where: Base-Base interactions energy: -439.435 where: short stacking energy: -199.644 Base-Backbone interact. energy: 0.626 local terms energy: -248.377979 where: bonds (distance) C4'-P energy: -68.693 bonds (distance) P-C4' energy: -56.579 flat angles C4'-P-C4' energy: -69.319 flat angles P-C4'-P energy: -22.910 tors. eta vs tors. theta energy: -30.877 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: 5 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -593.854636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.854636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.854636 (E_RNA) where: Base-Base interactions energy: -334.546 where: short stacking energy: -164.784 Base-Backbone interact. energy: -2.028 local terms energy: -257.280306 where: bonds (distance) C4'-P energy: -59.763 bonds (distance) P-C4' energy: -72.659 flat angles C4'-P-C4' energy: -72.196 flat angles P-C4'-P energy: -40.790 tors. eta vs tors. theta energy: -11.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -452.841923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.841923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.841923 (E_RNA) where: Base-Base interactions energy: -218.833 where: short stacking energy: -132.572 Base-Backbone interact. energy: -0.837 local terms energy: -233.172107 where: bonds (distance) C4'-P energy: -67.049 bonds (distance) P-C4' energy: -59.554 flat angles C4'-P-C4' energy: -69.285 flat angles P-C4'-P energy: -34.084 tors. eta vs tors. theta energy: -3.200 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: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1409.428511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.428511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.428511 (E_RNA) where: Base-Base interactions energy: -939.319 where: short stacking energy: -437.040 Base-Backbone interact. energy: -0.652 local terms energy: -469.457512 where: bonds (distance) C4'-P energy: -80.549 bonds (distance) P-C4' energy: -90.840 flat angles C4'-P-C4' energy: -94.577 flat angles P-C4'-P energy: -68.078 tors. eta vs tors. theta energy: -135.413 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: 9 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1281.300820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.300820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.300820 (E_RNA) where: Base-Base interactions energy: -834.437 where: short stacking energy: -409.065 Base-Backbone interact. energy: -2.654 local terms energy: -444.209571 where: bonds (distance) C4'-P energy: -78.520 bonds (distance) P-C4' energy: -74.349 flat angles C4'-P-C4' energy: -94.835 flat angles P-C4'-P energy: -68.939 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: 3, replica: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1251.020187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.020187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.020187 (E_RNA) where: Base-Base interactions energy: -858.049 where: short stacking energy: -362.020 Base-Backbone interact. energy: -1.142 local terms energy: -391.829008 where: bonds (distance) C4'-P energy: -70.345 bonds (distance) P-C4' energy: -65.904 flat angles C4'-P-C4' energy: -94.741 flat angles P-C4'-P energy: -49.939 tors. eta vs tors. theta energy: -110.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1154.873935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.873935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.873935 (E_RNA) where: Base-Base interactions energy: -755.423 where: short stacking energy: -330.714 Base-Backbone interact. energy: -1.007 local terms energy: -398.443705 where: bonds (distance) C4'-P energy: -67.514 bonds (distance) P-C4' energy: -74.565 flat angles C4'-P-C4' energy: -86.755 flat angles P-C4'-P energy: -59.092 tors. eta vs tors. theta energy: -110.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1014.732343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.732343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.732343 (E_RNA) where: Base-Base interactions energy: -644.636 where: short stacking energy: -302.155 Base-Backbone interact. energy: -2.357 local terms energy: -367.738993 where: bonds (distance) C4'-P energy: -75.603 bonds (distance) P-C4' energy: -68.770 flat angles C4'-P-C4' energy: -88.621 flat angles P-C4'-P energy: -52.001 tors. eta vs tors. theta energy: -82.744 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: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -861.284143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.284143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.284143 (E_RNA) where: Base-Base interactions energy: -538.146 where: short stacking energy: -253.556 Base-Backbone interact. energy: 0.865 local terms energy: -324.002648 where: bonds (distance) C4'-P energy: -77.502 bonds (distance) P-C4' energy: -71.149 flat angles C4'-P-C4' energy: -75.367 flat angles P-C4'-P energy: -47.389 tors. eta vs tors. theta energy: -52.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -751.353338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.353338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.353338 (E_RNA) where: Base-Base interactions energy: -452.056 where: short stacking energy: -237.993 Base-Backbone interact. energy: -1.612 local terms energy: -297.684805 where: bonds (distance) C4'-P energy: -57.373 bonds (distance) P-C4' energy: -69.419 flat angles C4'-P-C4' energy: -65.958 flat angles P-C4'-P energy: -48.957 tors. eta vs tors. theta energy: -55.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -641.109966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.109966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.109966 (E_RNA) where: Base-Base interactions energy: -374.314 where: short stacking energy: -177.707 Base-Backbone interact. energy: 3.482 local terms energy: -270.278276 where: bonds (distance) C4'-P energy: -61.583 bonds (distance) P-C4' energy: -72.531 flat angles C4'-P-C4' energy: -71.473 flat angles P-C4'-P energy: -39.877 tors. eta vs tors. theta energy: -24.814 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: 5 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -594.936402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.936402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.936402 (E_RNA) where: Base-Base interactions energy: -326.398 where: short stacking energy: -166.455 Base-Backbone interact. energy: -0.890 local terms energy: -267.648552 where: bonds (distance) C4'-P energy: -65.569 bonds (distance) P-C4' energy: -78.580 flat angles C4'-P-C4' energy: -53.106 flat angles P-C4'-P energy: -45.195 tors. eta vs tors. theta energy: -25.199 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: 10, replica: 8 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -467.703312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.703312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.703312 (E_RNA) where: Base-Base interactions energy: -238.834 where: short stacking energy: -128.914 Base-Backbone interact. energy: 1.253 local terms energy: -230.122805 where: bonds (distance) C4'-P energy: -70.920 bonds (distance) P-C4' energy: -66.846 flat angles C4'-P-C4' energy: -63.898 flat angles P-C4'-P energy: -33.602 tors. eta vs tors. theta energy: 5.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1402.292835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.292835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.292835 (E_RNA) where: Base-Base interactions energy: -947.450 where: short stacking energy: -420.406 Base-Backbone interact. energy: 0.614 local terms energy: -455.456420 where: bonds (distance) C4'-P energy: -82.633 bonds (distance) P-C4' energy: -74.231 flat angles C4'-P-C4' energy: -95.910 flat angles P-C4'-P energy: -65.973 tors. eta vs tors. theta energy: -136.709 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: 7 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1291.674371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.674371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.674371 (E_RNA) where: Base-Base interactions energy: -883.808 where: short stacking energy: -385.086 Base-Backbone interact. energy: -1.548 local terms energy: -406.319283 where: bonds (distance) C4'-P energy: -78.155 bonds (distance) P-C4' energy: -68.719 flat angles C4'-P-C4' energy: -84.931 flat angles P-C4'-P energy: -58.869 tors. eta vs tors. theta energy: -115.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1212.900206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.900206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.900206 (E_RNA) where: Base-Base interactions energy: -782.508 where: short stacking energy: -384.897 Base-Backbone interact. energy: -0.920 local terms energy: -429.471278 where: bonds (distance) C4'-P energy: -81.208 bonds (distance) P-C4' energy: -86.706 flat angles C4'-P-C4' energy: -95.938 flat angles P-C4'-P energy: -54.806 tors. eta vs tors. theta energy: -110.814 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: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1149.754913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.754913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.754913 (E_RNA) where: Base-Base interactions energy: -751.568 where: short stacking energy: -335.165 Base-Backbone interact. energy: -0.052 local terms energy: -398.135017 where: bonds (distance) C4'-P energy: -80.939 bonds (distance) P-C4' energy: -67.719 flat angles C4'-P-C4' energy: -79.511 flat angles P-C4'-P energy: -63.412 tors. eta vs tors. theta energy: -106.553 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: 5, replica: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1036.046667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.046667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.046667 (E_RNA) where: Base-Base interactions energy: -695.683 where: short stacking energy: -313.206 Base-Backbone interact. energy: -2.322 local terms energy: -338.041453 where: bonds (distance) C4'-P energy: -62.056 bonds (distance) P-C4' energy: -77.953 flat angles C4'-P-C4' energy: -67.884 flat angles P-C4'-P energy: -41.400 tors. eta vs tors. theta energy: -88.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -863.830154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.830154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.830154 (E_RNA) where: Base-Base interactions energy: -548.811 where: short stacking energy: -272.710 Base-Backbone interact. energy: -0.891 local terms energy: -314.128390 where: bonds (distance) C4'-P energy: -65.354 bonds (distance) P-C4' energy: -71.009 flat angles C4'-P-C4' energy: -76.427 flat angles P-C4'-P energy: -41.410 tors. eta vs tors. theta energy: -59.928 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: 3 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -753.719465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.719465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.719465 (E_RNA) where: Base-Base interactions energy: -449.812 where: short stacking energy: -200.290 Base-Backbone interact. energy: 5.649 local terms energy: -309.555950 where: bonds (distance) C4'-P energy: -74.149 bonds (distance) P-C4' energy: -70.716 flat angles C4'-P-C4' energy: -84.999 flat angles P-C4'-P energy: -38.743 tors. eta vs tors. theta energy: -40.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -640.418786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.418786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.418786 (E_RNA) where: Base-Base interactions energy: -366.650 where: short stacking energy: -198.723 Base-Backbone interact. energy: 0.389 local terms energy: -274.157460 where: bonds (distance) C4'-P energy: -70.273 bonds (distance) P-C4' energy: -59.557 flat angles C4'-P-C4' energy: -59.201 flat angles P-C4'-P energy: -42.753 tors. eta vs tors. theta energy: -42.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -605.336284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.336284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.336284 (E_RNA) where: Base-Base interactions energy: -336.957 where: short stacking energy: -172.294 Base-Backbone interact. energy: 0.990 local terms energy: -269.369119 where: bonds (distance) C4'-P energy: -70.908 bonds (distance) P-C4' energy: -78.127 flat angles C4'-P-C4' energy: -53.839 flat angles P-C4'-P energy: -32.927 tors. eta vs tors. theta energy: -33.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -469.467842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.467842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.467842 (E_RNA) where: Base-Base interactions energy: -258.454 where: short stacking energy: -132.795 Base-Backbone interact. energy: -2.235 local terms energy: -208.778713 where: bonds (distance) C4'-P energy: -50.729 bonds (distance) P-C4' energy: -61.736 flat angles C4'-P-C4' energy: -60.182 flat angles P-C4'-P energy: -31.631 tors. eta vs tors. theta energy: -4.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1403.991669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.991669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.991669 (E_RNA) where: Base-Base interactions energy: -939.126 where: short stacking energy: -426.439 Base-Backbone interact. energy: -1.263 local terms energy: -463.603465 where: bonds (distance) C4'-P energy: -83.095 bonds (distance) P-C4' energy: -89.922 flat angles C4'-P-C4' energy: -94.151 flat angles P-C4'-P energy: -68.142 tors. eta vs tors. theta energy: -128.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1273.688702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.688702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.688702 (E_RNA) where: Base-Base interactions energy: -880.165 where: short stacking energy: -380.867 Base-Backbone interact. energy: -0.088 local terms energy: -393.435407 where: bonds (distance) C4'-P energy: -63.857 bonds (distance) P-C4' energy: -68.810 flat angles C4'-P-C4' energy: -90.167 flat angles P-C4'-P energy: -55.878 tors. eta vs tors. theta energy: -114.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1220.643544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.643544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.643544 (E_RNA) where: Base-Base interactions energy: -785.179 where: short stacking energy: -375.109 Base-Backbone interact. energy: -2.502 local terms energy: -432.962261 where: bonds (distance) C4'-P energy: -61.813 bonds (distance) P-C4' energy: -83.667 flat angles C4'-P-C4' energy: -90.622 flat angles P-C4'-P energy: -70.678 tors. eta vs tors. theta energy: -126.183 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: 4 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1173.241312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.241312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.241312 (E_RNA) where: Base-Base interactions energy: -798.782 where: short stacking energy: -387.362 Base-Backbone interact. energy: -0.763 local terms energy: -373.695702 where: bonds (distance) C4'-P energy: -65.532 bonds (distance) P-C4' energy: -69.183 flat angles C4'-P-C4' energy: -73.956 flat angles P-C4'-P energy: -49.462 tors. eta vs tors. theta energy: -115.563 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: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1021.699079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.699079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.699079 (E_RNA) where: Base-Base interactions energy: -674.144 where: short stacking energy: -293.158 Base-Backbone interact. energy: -3.760 local terms energy: -343.794510 where: bonds (distance) C4'-P energy: -60.830 bonds (distance) P-C4' energy: -78.169 flat angles C4'-P-C4' energy: -69.931 flat angles P-C4'-P energy: -52.292 tors. eta vs tors. theta energy: -82.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -858.115785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.115785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.115785 (E_RNA) where: Base-Base interactions energy: -533.596 where: short stacking energy: -258.150 Base-Backbone interact. energy: -0.831 local terms energy: -323.688268 where: bonds (distance) C4'-P energy: -70.969 bonds (distance) P-C4' energy: -72.341 flat angles C4'-P-C4' energy: -75.087 flat angles P-C4'-P energy: -43.625 tors. eta vs tors. theta energy: -61.666 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: 7, replica: 3 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -772.317819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.317819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.317819 (E_RNA) where: Base-Base interactions energy: -449.376 where: short stacking energy: -240.376 Base-Backbone interact. energy: -0.760 local terms energy: -322.181578 where: bonds (distance) C4'-P energy: -76.327 bonds (distance) P-C4' energy: -83.324 flat angles C4'-P-C4' energy: -73.595 flat angles P-C4'-P energy: -43.632 tors. eta vs tors. theta energy: -45.303 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: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -637.635676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.635676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.635676 (E_RNA) where: Base-Base interactions energy: -355.829 where: short stacking energy: -179.506 Base-Backbone interact. energy: -0.187 local terms energy: -281.619722 where: bonds (distance) C4'-P energy: -76.304 bonds (distance) P-C4' energy: -75.964 flat angles C4'-P-C4' energy: -62.287 flat angles P-C4'-P energy: -36.755 tors. eta vs tors. theta energy: -30.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -638.479636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.479636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.479636 (E_RNA) where: Base-Base interactions energy: -378.290 where: short stacking energy: -187.018 Base-Backbone interact. energy: 6.774 local terms energy: -266.963159 where: bonds (distance) C4'-P energy: -58.473 bonds (distance) P-C4' energy: -78.698 flat angles C4'-P-C4' energy: -50.950 flat angles P-C4'-P energy: -44.779 tors. eta vs tors. theta energy: -34.062 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: 356 Temperature: 1.350000 Total energy: -466.104268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.104268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.104268 (E_RNA) where: Base-Base interactions energy: -226.083 where: short stacking energy: -140.899 Base-Backbone interact. energy: -0.561 local terms energy: -239.460358 where: bonds (distance) C4'-P energy: -68.015 bonds (distance) P-C4' energy: -59.279 flat angles C4'-P-C4' energy: -62.878 flat angles P-C4'-P energy: -30.207 tors. eta vs tors. theta energy: -19.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1381.409596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.409596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.409596 (E_RNA) where: Base-Base interactions energy: -928.806 where: short stacking energy: -420.462 Base-Backbone interact. energy: -0.112 local terms energy: -452.491276 where: bonds (distance) C4'-P energy: -84.768 bonds (distance) P-C4' energy: -86.371 flat angles C4'-P-C4' energy: -90.929 flat angles P-C4'-P energy: -59.472 tors. eta vs tors. theta energy: -130.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1242.507316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.507316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.507316 (E_RNA) where: Base-Base interactions energy: -807.686 where: short stacking energy: -391.970 Base-Backbone interact. energy: -1.297 local terms energy: -433.523584 where: bonds (distance) C4'-P energy: -75.295 bonds (distance) P-C4' energy: -80.664 flat angles C4'-P-C4' energy: -92.042 flat angles P-C4'-P energy: -56.952 tors. eta vs tors. theta energy: -128.570 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: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1276.716787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.716787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.716787 (E_RNA) where: Base-Base interactions energy: -874.285 where: short stacking energy: -376.159 Base-Backbone interact. energy: 7.203 local terms energy: -409.635347 where: bonds (distance) C4'-P energy: -65.931 bonds (distance) P-C4' energy: -90.592 flat angles C4'-P-C4' energy: -84.590 flat angles P-C4'-P energy: -60.352 tors. eta vs tors. theta energy: -108.171 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: 4 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1197.079929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.079929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.079929 (E_RNA) where: Base-Base interactions energy: -798.597 where: short stacking energy: -382.225 Base-Backbone interact. energy: -1.216 local terms energy: -397.267230 where: bonds (distance) C4'-P energy: -64.050 bonds (distance) P-C4' energy: -66.215 flat angles C4'-P-C4' energy: -93.154 flat angles P-C4'-P energy: -57.226 tors. eta vs tors. theta energy: -116.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1007.645753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.645753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.645753 (E_RNA) where: Base-Base interactions energy: -657.459 where: short stacking energy: -275.210 Base-Backbone interact. energy: 2.007 local terms energy: -352.194017 where: bonds (distance) C4'-P energy: -78.716 bonds (distance) P-C4' energy: -66.115 flat angles C4'-P-C4' energy: -82.117 flat angles P-C4'-P energy: -52.134 tors. eta vs tors. theta energy: -73.112 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: 1 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -887.113857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.113857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.113857 (E_RNA) where: Base-Base interactions energy: -567.066 where: short stacking energy: -286.546 Base-Backbone interact. energy: -0.596 local terms energy: -319.451766 where: bonds (distance) C4'-P energy: -73.138 bonds (distance) P-C4' energy: -65.538 flat angles C4'-P-C4' energy: -68.205 flat angles P-C4'-P energy: -48.102 tors. eta vs tors. theta energy: -64.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -715.020134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.020134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.020134 (E_RNA) where: Base-Base interactions energy: -404.892 where: short stacking energy: -211.347 Base-Backbone interact. energy: -0.741 local terms energy: -309.386951 where: bonds (distance) C4'-P energy: -66.749 bonds (distance) P-C4' energy: -69.055 flat angles C4'-P-C4' energy: -68.950 flat angles P-C4'-P energy: -50.824 tors. eta vs tors. theta energy: -53.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -639.562162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.562162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.562162 (E_RNA) where: Base-Base interactions energy: -396.797 where: short stacking energy: -200.889 Base-Backbone interact. energy: -1.202 local terms energy: -241.563533 where: bonds (distance) C4'-P energy: -49.564 bonds (distance) P-C4' energy: -59.916 flat angles C4'-P-C4' energy: -63.233 flat angles P-C4'-P energy: -42.356 tors. eta vs tors. theta energy: -26.494 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: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -654.576039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.576039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.576039 (E_RNA) where: Base-Base interactions energy: -388.132 where: short stacking energy: -205.047 Base-Backbone interact. energy: 0.520 local terms energy: -266.963989 where: bonds (distance) C4'-P energy: -66.633 bonds (distance) P-C4' energy: -66.655 flat angles C4'-P-C4' energy: -64.319 flat angles P-C4'-P energy: -40.792 tors. eta vs tors. theta energy: -28.565 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: 8 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -478.615631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.615631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.615631 (E_RNA) where: Base-Base interactions energy: -253.217 where: short stacking energy: -142.063 Base-Backbone interact. energy: -0.144 local terms energy: -225.254386 where: bonds (distance) C4'-P energy: -59.678 bonds (distance) P-C4' energy: -51.729 flat angles C4'-P-C4' energy: -62.423 flat angles P-C4'-P energy: -38.732 tors. eta vs tors. theta energy: -12.692 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: 1, replica: 10 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1383.461956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.461956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.461956 (E_RNA) where: Base-Base interactions energy: -923.943 where: short stacking energy: -413.075 Base-Backbone interact. energy: 0.627 local terms energy: -460.145974 where: bonds (distance) C4'-P energy: -83.397 bonds (distance) P-C4' energy: -85.448 flat angles C4'-P-C4' energy: -94.584 flat angles P-C4'-P energy: -68.721 tors. eta vs tors. theta energy: -127.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1296.869269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.869269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.869269 (E_RNA) where: Base-Base interactions energy: -849.963 where: short stacking energy: -405.996 Base-Backbone interact. energy: -1.669 local terms energy: -445.237680 where: bonds (distance) C4'-P energy: -81.024 bonds (distance) P-C4' energy: -75.718 flat angles C4'-P-C4' energy: -87.471 flat angles P-C4'-P energy: -70.331 tors. eta vs tors. theta energy: -130.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1281.569324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.569324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.569324 (E_RNA) where: Base-Base interactions energy: -873.372 where: short stacking energy: -374.911 Base-Backbone interact. energy: 0.988 local terms energy: -409.186029 where: bonds (distance) C4'-P energy: -73.223 bonds (distance) P-C4' energy: -74.515 flat angles C4'-P-C4' energy: -86.954 flat angles P-C4'-P energy: -55.655 tors. eta vs tors. theta energy: -118.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1153.054755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.054755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.054755 (E_RNA) where: Base-Base interactions energy: -765.797 where: short stacking energy: -341.114 Base-Backbone interact. energy: -0.798 local terms energy: -386.460302 where: bonds (distance) C4'-P energy: -84.922 bonds (distance) P-C4' energy: -70.822 flat angles C4'-P-C4' energy: -80.730 flat angles P-C4'-P energy: -44.144 tors. eta vs tors. theta energy: -105.842 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: 5, replica: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1047.207162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.207162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.207162 (E_RNA) where: Base-Base interactions energy: -695.664 where: short stacking energy: -300.626 Base-Backbone interact. energy: 0.584 local terms energy: -352.127710 where: bonds (distance) C4'-P energy: -71.377 bonds (distance) P-C4' energy: -70.732 flat angles C4'-P-C4' energy: -77.203 flat angles P-C4'-P energy: -59.526 tors. eta vs tors. theta energy: -73.290 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: 358 Temperature: 1.150000 Total energy: -880.462215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.462215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.462215 (E_RNA) where: Base-Base interactions energy: -567.441 where: short stacking energy: -267.995 Base-Backbone interact. energy: 3.486 local terms energy: -316.507088 where: bonds (distance) C4'-P energy: -69.533 bonds (distance) P-C4' energy: -72.917 flat angles C4'-P-C4' energy: -69.354 flat angles P-C4'-P energy: -48.294 tors. eta vs tors. theta energy: -56.409 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: 3 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -745.369850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.369850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.369850 (E_RNA) where: Base-Base interactions energy: -450.872 where: short stacking energy: -226.552 Base-Backbone interact. energy: -0.547 local terms energy: -293.950770 where: bonds (distance) C4'-P energy: -60.895 bonds (distance) P-C4' energy: -66.247 flat angles C4'-P-C4' energy: -69.529 flat angles P-C4'-P energy: -51.658 tors. eta vs tors. theta energy: -45.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -652.736431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.736431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.736431 (E_RNA) where: Base-Base interactions energy: -389.009 where: short stacking energy: -198.380 Base-Backbone interact. energy: -0.913 local terms energy: -262.814749 where: bonds (distance) C4'-P energy: -59.072 bonds (distance) P-C4' energy: -64.870 flat angles C4'-P-C4' energy: -70.280 flat angles P-C4'-P energy: -38.881 tors. eta vs tors. theta energy: -29.712 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: 5 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -634.384659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.384659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.384659 (E_RNA) where: Base-Base interactions energy: -379.540 where: short stacking energy: -180.341 Base-Backbone interact. energy: -0.846 local terms energy: -253.998338 where: bonds (distance) C4'-P energy: -68.895 bonds (distance) P-C4' energy: -68.777 flat angles C4'-P-C4' energy: -65.969 flat angles P-C4'-P energy: -31.301 tors. eta vs tors. theta energy: -19.055 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: 10, replica: 8 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -470.643122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.643122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.643122 (E_RNA) where: Base-Base interactions energy: -247.523 where: short stacking energy: -147.190 Base-Backbone interact. energy: 0.263 local terms energy: -223.383107 where: bonds (distance) C4'-P energy: -60.335 bonds (distance) P-C4' energy: -77.455 flat angles C4'-P-C4' energy: -51.408 flat angles P-C4'-P energy: -36.628 tors. eta vs tors. theta energy: 2.444 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: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1361.459474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.459474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.459474 (E_RNA) where: Base-Base interactions energy: -931.678 where: short stacking energy: -423.459 Base-Backbone interact. energy: -0.827 local terms energy: -428.954284 where: bonds (distance) C4'-P energy: -71.352 bonds (distance) P-C4' energy: -74.727 flat angles C4'-P-C4' energy: -91.746 flat angles P-C4'-P energy: -59.690 tors. eta vs tors. theta energy: -131.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1265.011865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.011865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.011865 (E_RNA) where: Base-Base interactions energy: -828.808 where: short stacking energy: -389.776 Base-Backbone interact. energy: -2.286 local terms energy: -433.917516 where: bonds (distance) C4'-P energy: -81.545 bonds (distance) P-C4' energy: -79.234 flat angles C4'-P-C4' energy: -89.536 flat angles P-C4'-P energy: -57.627 tors. eta vs tors. theta energy: -125.976 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: 7 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1253.008755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.008755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.008755 (E_RNA) where: Base-Base interactions energy: -854.801 where: short stacking energy: -365.683 Base-Backbone interact. energy: 0.416 local terms energy: -398.624262 where: bonds (distance) C4'-P energy: -80.011 bonds (distance) P-C4' energy: -80.271 flat angles C4'-P-C4' energy: -83.572 flat angles P-C4'-P energy: -54.609 tors. eta vs tors. theta energy: -100.162 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: 4 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1176.833386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.833386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.833386 (E_RNA) where: Base-Base interactions energy: -780.104 where: short stacking energy: -346.292 Base-Backbone interact. energy: 0.778 local terms energy: -397.507574 where: bonds (distance) C4'-P energy: -69.304 bonds (distance) P-C4' energy: -76.264 flat angles C4'-P-C4' energy: -80.693 flat angles P-C4'-P energy: -65.049 tors. eta vs tors. theta energy: -106.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1006.793166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.793166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.793166 (E_RNA) where: Base-Base interactions energy: -672.641 where: short stacking energy: -296.977 Base-Backbone interact. energy: 1.240 local terms energy: -335.392176 where: bonds (distance) C4'-P energy: -59.365 bonds (distance) P-C4' energy: -68.251 flat angles C4'-P-C4' energy: -82.682 flat angles P-C4'-P energy: -55.481 tors. eta vs tors. theta energy: -69.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -917.424659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.424659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.424659 (E_RNA) where: Base-Base interactions energy: -597.708 where: short stacking energy: -300.971 Base-Backbone interact. energy: -0.749 local terms energy: -318.967178 where: bonds (distance) C4'-P energy: -57.986 bonds (distance) P-C4' energy: -53.789 flat angles C4'-P-C4' energy: -70.082 flat angles P-C4'-P energy: -54.303 tors. eta vs tors. theta energy: -82.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -727.236836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.236836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.236836 (E_RNA) where: Base-Base interactions energy: -436.612 where: short stacking energy: -238.886 Base-Backbone interact. energy: 0.386 local terms energy: -291.011183 where: bonds (distance) C4'-P energy: -60.213 bonds (distance) P-C4' energy: -59.432 flat angles C4'-P-C4' energy: -71.336 flat angles P-C4'-P energy: -51.401 tors. eta vs tors. theta energy: -48.630 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: 6 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -619.799113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.799113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.799113 (E_RNA) where: Base-Base interactions energy: -373.063 where: short stacking energy: -192.132 Base-Backbone interact. energy: -0.398 local terms energy: -246.338246 where: bonds (distance) C4'-P energy: -54.965 bonds (distance) P-C4' energy: -70.367 flat angles C4'-P-C4' energy: -61.159 flat angles P-C4'-P energy: -32.752 tors. eta vs tors. theta energy: -27.096 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: 5 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -610.398699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.398699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.398699 (E_RNA) where: Base-Base interactions energy: -364.510 where: short stacking energy: -187.411 Base-Backbone interact. energy: 7.173 local terms energy: -253.061110 where: bonds (distance) C4'-P energy: -51.107 bonds (distance) P-C4' energy: -72.280 flat angles C4'-P-C4' energy: -66.957 flat angles P-C4'-P energy: -40.792 tors. eta vs tors. theta energy: -21.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -440.775095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.775095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.775095 (E_RNA) where: Base-Base interactions energy: -219.460 where: short stacking energy: -128.240 Base-Backbone interact. energy: 1.684 local terms energy: -222.999641 where: bonds (distance) C4'-P energy: -63.316 bonds (distance) P-C4' energy: -68.587 flat angles C4'-P-C4' energy: -54.415 flat angles P-C4'-P energy: -30.387 tors. eta vs tors. theta energy: -6.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1373.382140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.382140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.382140 (E_RNA) where: Base-Base interactions energy: -927.343 where: short stacking energy: -418.331 Base-Backbone interact. energy: 0.107 local terms energy: -446.146531 where: bonds (distance) C4'-P energy: -82.154 bonds (distance) P-C4' energy: -83.173 flat angles C4'-P-C4' energy: -92.906 flat angles P-C4'-P energy: -65.318 tors. eta vs tors. theta energy: -122.596 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: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1271.993827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.993827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.993827 (E_RNA) where: Base-Base interactions energy: -851.732 where: short stacking energy: -411.334 Base-Backbone interact. energy: -1.666 local terms energy: -418.596019 where: bonds (distance) C4'-P energy: -73.738 bonds (distance) P-C4' energy: -74.023 flat angles C4'-P-C4' energy: -90.323 flat angles P-C4'-P energy: -55.281 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: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1263.686425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.686425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.686425 (E_RNA) where: Base-Base interactions energy: -852.100 where: short stacking energy: -368.078 Base-Backbone interact. energy: -2.068 local terms energy: -409.519268 where: bonds (distance) C4'-P energy: -70.280 bonds (distance) P-C4' energy: -75.580 flat angles C4'-P-C4' energy: -92.599 flat angles P-C4'-P energy: -62.522 tors. eta vs tors. theta energy: -108.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1188.371633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.371633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.371633 (E_RNA) where: Base-Base interactions energy: -788.647 where: short stacking energy: -376.917 Base-Backbone interact. energy: -0.455 local terms energy: -399.269446 where: bonds (distance) C4'-P energy: -71.927 bonds (distance) P-C4' energy: -72.555 flat angles C4'-P-C4' energy: -80.093 flat angles P-C4'-P energy: -56.812 tors. eta vs tors. theta energy: -117.883 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: 2 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1043.930646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.930646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.930646 (E_RNA) where: Base-Base interactions energy: -698.714 where: short stacking energy: -305.412 Base-Backbone interact. energy: -0.357 local terms energy: -344.859490 where: bonds (distance) C4'-P energy: -68.094 bonds (distance) P-C4' energy: -70.819 flat angles C4'-P-C4' energy: -79.892 flat angles P-C4'-P energy: -47.003 tors. eta vs tors. theta energy: -79.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -868.129490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.129490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.129490 (E_RNA) where: Base-Base interactions energy: -548.478 where: short stacking energy: -257.343 Base-Backbone interact. energy: 1.152 local terms energy: -320.803282 where: bonds (distance) C4'-P energy: -61.621 bonds (distance) P-C4' energy: -69.472 flat angles C4'-P-C4' energy: -75.284 flat angles P-C4'-P energy: -50.573 tors. eta vs tors. theta energy: -63.853 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: 360 Temperature: 1.200000 Total energy: -713.579321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.579321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.579321 (E_RNA) where: Base-Base interactions energy: -441.486 where: short stacking energy: -220.539 Base-Backbone interact. energy: -0.154 local terms energy: -271.939080 where: bonds (distance) C4'-P energy: -59.618 bonds (distance) P-C4' energy: -69.528 flat angles C4'-P-C4' energy: -55.392 flat angles P-C4'-P energy: -43.507 tors. eta vs tors. theta energy: -43.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -634.538843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.538843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.538843 (E_RNA) where: Base-Base interactions energy: -375.271 where: short stacking energy: -174.445 Base-Backbone interact. energy: -3.610 local terms energy: -255.657880 where: bonds (distance) C4'-P energy: -54.713 bonds (distance) P-C4' energy: -83.858 flat angles C4'-P-C4' energy: -62.492 flat angles P-C4'-P energy: -34.168 tors. eta vs tors. theta energy: -20.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -624.602646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.602646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.602646 (E_RNA) where: Base-Base interactions energy: -339.648 where: short stacking energy: -172.981 Base-Backbone interact. energy: 1.686 local terms energy: -286.640369 where: bonds (distance) C4'-P energy: -66.979 bonds (distance) P-C4' energy: -87.890 flat angles C4'-P-C4' energy: -58.901 flat angles P-C4'-P energy: -44.462 tors. eta vs tors. theta energy: -28.408 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: 10, replica: 8 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -463.160604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.160604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.160604 (E_RNA) where: Base-Base interactions energy: -222.751 where: short stacking energy: -121.197 Base-Backbone interact. energy: -1.407 local terms energy: -239.003495 where: bonds (distance) C4'-P energy: -69.299 bonds (distance) P-C4' energy: -63.290 flat angles C4'-P-C4' energy: -68.432 flat angles P-C4'-P energy: -35.463 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1358.619887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.619887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.619887 (E_RNA) where: Base-Base interactions energy: -905.194 where: short stacking energy: -408.355 Base-Backbone interact. energy: 0.660 local terms energy: -454.086416 where: bonds (distance) C4'-P energy: -83.494 bonds (distance) P-C4' energy: -87.207 flat angles C4'-P-C4' energy: -98.100 flat angles P-C4'-P energy: -68.096 tors. eta vs tors. theta energy: -117.189 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: 361 Temperature: 0.950000 Total energy: -1280.358943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.358943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.358943 (E_RNA) where: Base-Base interactions energy: -851.144 where: short stacking energy: -422.367 Base-Backbone interact. energy: -0.854 local terms energy: -428.360413 where: bonds (distance) C4'-P energy: -75.115 bonds (distance) P-C4' energy: -74.077 flat angles C4'-P-C4' energy: -83.517 flat angles P-C4'-P energy: -63.332 tors. eta vs tors. theta energy: -132.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1239.071786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.071786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.071786 (E_RNA) where: Base-Base interactions energy: -838.160 where: short stacking energy: -353.404 Base-Backbone interact. energy: -1.124 local terms energy: -399.787280 where: bonds (distance) C4'-P energy: -76.870 bonds (distance) P-C4' energy: -77.426 flat angles C4'-P-C4' energy: -90.354 flat angles P-C4'-P energy: -48.833 tors. eta vs tors. theta energy: -106.304 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: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1193.532491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.532491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.532491 (E_RNA) where: Base-Base interactions energy: -808.204 where: short stacking energy: -371.621 Base-Backbone interact. energy: -0.519 local terms energy: -384.809402 where: bonds (distance) C4'-P energy: -79.798 bonds (distance) P-C4' energy: -72.075 flat angles C4'-P-C4' energy: -82.260 flat angles P-C4'-P energy: -41.571 tors. eta vs tors. theta energy: -109.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1019.108886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.108886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.108886 (E_RNA) where: Base-Base interactions energy: -676.660 where: short stacking energy: -294.059 Base-Backbone interact. energy: -1.896 local terms energy: -340.552361 where: bonds (distance) C4'-P energy: -67.210 bonds (distance) P-C4' energy: -78.866 flat angles C4'-P-C4' energy: -67.408 flat angles P-C4'-P energy: -50.129 tors. eta vs tors. theta energy: -76.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -898.417901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.417901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.417901 (E_RNA) where: Base-Base interactions energy: -560.082 where: short stacking energy: -255.348 Base-Backbone interact. energy: -0.045 local terms energy: -338.291060 where: bonds (distance) C4'-P energy: -68.598 bonds (distance) P-C4' energy: -77.773 flat angles C4'-P-C4' energy: -73.371 flat angles P-C4'-P energy: -46.413 tors. eta vs tors. theta energy: -72.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -714.689037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.689037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.689037 (E_RNA) where: Base-Base interactions energy: -418.862 where: short stacking energy: -211.818 Base-Backbone interact. energy: -0.761 local terms energy: -295.066183 where: bonds (distance) C4'-P energy: -71.076 bonds (distance) P-C4' energy: -82.305 flat angles C4'-P-C4' energy: -58.070 flat angles P-C4'-P energy: -44.677 tors. eta vs tors. theta energy: -38.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -678.329567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.329567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.329567 (E_RNA) where: Base-Base interactions energy: -391.275 where: short stacking energy: -201.620 Base-Backbone interact. energy: 0.030 local terms energy: -287.085146 where: bonds (distance) C4'-P energy: -62.186 bonds (distance) P-C4' energy: -64.524 flat angles C4'-P-C4' energy: -55.701 flat angles P-C4'-P energy: -45.850 tors. eta vs tors. theta energy: -58.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -563.788060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.788060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.788060 (E_RNA) where: Base-Base interactions energy: -301.832 where: short stacking energy: -152.028 Base-Backbone interact. energy: 1.174 local terms energy: -263.130011 where: bonds (distance) C4'-P energy: -57.597 bonds (distance) P-C4' energy: -79.305 flat angles C4'-P-C4' energy: -69.846 flat angles P-C4'-P energy: -34.769 tors. eta vs tors. theta energy: -21.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -473.298885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.298885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.298885 (E_RNA) where: Base-Base interactions energy: -228.081 where: short stacking energy: -135.227 Base-Backbone interact. energy: -0.864 local terms energy: -244.353679 where: bonds (distance) C4'-P energy: -72.344 bonds (distance) P-C4' energy: -79.351 flat angles C4'-P-C4' energy: -67.693 flat angles P-C4'-P energy: -25.552 tors. eta vs tors. theta energy: 0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1346.155482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.155482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.155482 (E_RNA) where: Base-Base interactions energy: -903.608 where: short stacking energy: -401.203 Base-Backbone interact. energy: -0.075 local terms energy: -442.472522 where: bonds (distance) C4'-P energy: -88.745 bonds (distance) P-C4' energy: -90.229 flat angles C4'-P-C4' energy: -85.942 flat angles P-C4'-P energy: -52.094 tors. eta vs tors. theta energy: -125.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1232.349414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.349414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.349414 (E_RNA) where: Base-Base interactions energy: -814.890 where: short stacking energy: -368.002 Base-Backbone interact. energy: -1.532 local terms energy: -415.927139 where: bonds (distance) C4'-P energy: -73.356 bonds (distance) P-C4' energy: -84.475 flat angles C4'-P-C4' energy: -87.356 flat angles P-C4'-P energy: -55.434 tors. eta vs tors. theta energy: -115.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1211.626660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.626660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.626660 (E_RNA) where: Base-Base interactions energy: -804.249 where: short stacking energy: -379.519 Base-Backbone interact. energy: -1.171 local terms energy: -406.207219 where: bonds (distance) C4'-P energy: -81.632 bonds (distance) P-C4' energy: -76.622 flat angles C4'-P-C4' energy: -88.974 flat angles P-C4'-P energy: -48.006 tors. eta vs tors. theta energy: -110.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1210.649517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.649517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.649517 (E_RNA) where: Base-Base interactions energy: -814.895 where: short stacking energy: -348.550 Base-Backbone interact. energy: -0.165 local terms energy: -395.589738 where: bonds (distance) C4'-P energy: -65.953 bonds (distance) P-C4' energy: -77.898 flat angles C4'-P-C4' energy: -86.741 flat angles P-C4'-P energy: -57.348 tors. eta vs tors. theta energy: -107.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1043.433284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.433284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.433284 (E_RNA) where: Base-Base interactions energy: -665.184 where: short stacking energy: -310.424 Base-Backbone interact. energy: -2.379 local terms energy: -375.870677 where: bonds (distance) C4'-P energy: -72.229 bonds (distance) P-C4' energy: -77.631 flat angles C4'-P-C4' energy: -89.339 flat angles P-C4'-P energy: -45.687 tors. eta vs tors. theta energy: -90.985 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: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -845.304994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.304994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.304994 (E_RNA) where: Base-Base interactions energy: -528.179 where: short stacking energy: -244.990 Base-Backbone interact. energy: 0.383 local terms energy: -317.508613 where: bonds (distance) C4'-P energy: -79.484 bonds (distance) P-C4' energy: -54.225 flat angles C4'-P-C4' energy: -73.051 flat angles P-C4'-P energy: -44.391 tors. eta vs tors. theta energy: -66.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -702.415966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.415966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.415966 (E_RNA) where: Base-Base interactions energy: -403.547 where: short stacking energy: -207.448 Base-Backbone interact. energy: -0.205 local terms energy: -298.664616 where: bonds (distance) C4'-P energy: -71.188 bonds (distance) P-C4' energy: -82.566 flat angles C4'-P-C4' energy: -72.655 flat angles P-C4'-P energy: -50.272 tors. eta vs tors. theta energy: -21.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -676.402374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.402374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.402374 (E_RNA) where: Base-Base interactions energy: -402.223 where: short stacking energy: -201.190 Base-Backbone interact. energy: -1.720 local terms energy: -272.459223 where: bonds (distance) C4'-P energy: -59.647 bonds (distance) P-C4' energy: -70.398 flat angles C4'-P-C4' energy: -64.324 flat angles P-C4'-P energy: -40.237 tors. eta vs tors. theta energy: -37.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -564.983991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.983991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.983991 (E_RNA) where: Base-Base interactions energy: -324.816 where: short stacking energy: -175.055 Base-Backbone interact. energy: 4.906 local terms energy: -245.074079 where: bonds (distance) C4'-P energy: -62.032 bonds (distance) P-C4' energy: -66.151 flat angles C4'-P-C4' energy: -58.603 flat angles P-C4'-P energy: -32.115 tors. eta vs tors. theta energy: -26.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -478.405370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.405370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.405370 (E_RNA) where: Base-Base interactions energy: -218.524 where: short stacking energy: -138.380 Base-Backbone interact. energy: 0.959 local terms energy: -260.839672 where: bonds (distance) C4'-P energy: -61.035 bonds (distance) P-C4' energy: -72.832 flat angles C4'-P-C4' energy: -72.580 flat angles P-C4'-P energy: -43.438 tors. eta vs tors. theta energy: -10.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1368.052975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.052975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.052975 (E_RNA) where: Base-Base interactions energy: -928.746 where: short stacking energy: -426.249 Base-Backbone interact. energy: -2.060 local terms energy: -437.246284 where: bonds (distance) C4'-P energy: -88.632 bonds (distance) P-C4' energy: -72.526 flat angles C4'-P-C4' energy: -88.111 flat angles P-C4'-P energy: -65.052 tors. eta vs tors. theta energy: -122.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1230.880409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.880409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.880409 (E_RNA) where: Base-Base interactions energy: -836.421 where: short stacking energy: -387.464 Base-Backbone interact. energy: -1.306 local terms energy: -393.152733 where: bonds (distance) C4'-P energy: -79.361 bonds (distance) P-C4' energy: -70.927 flat angles C4'-P-C4' energy: -83.930 flat angles P-C4'-P energy: -51.844 tors. eta vs tors. theta energy: -107.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1277.242365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.242365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.242365 (E_RNA) where: Base-Base interactions energy: -857.872 where: short stacking energy: -399.554 Base-Backbone interact. energy: 0.379 local terms energy: -419.749960 where: bonds (distance) C4'-P energy: -77.968 bonds (distance) P-C4' energy: -73.095 flat angles C4'-P-C4' energy: -95.521 flat angles P-C4'-P energy: -56.978 tors. eta vs tors. theta energy: -116.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1219.319630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.319630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.319630 (E_RNA) where: Base-Base interactions energy: -849.008 where: short stacking energy: -362.406 Base-Backbone interact. energy: -0.759 local terms energy: -369.552137 where: bonds (distance) C4'-P energy: -72.794 bonds (distance) P-C4' energy: -66.637 flat angles C4'-P-C4' energy: -79.742 flat angles P-C4'-P energy: -48.124 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: 5, replica: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1006.643128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.643128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.643128 (E_RNA) where: Base-Base interactions energy: -656.832 where: short stacking energy: -280.471 Base-Backbone interact. energy: -3.553 local terms energy: -346.258469 where: bonds (distance) C4'-P energy: -72.685 bonds (distance) P-C4' energy: -64.234 flat angles C4'-P-C4' energy: -73.210 flat angles P-C4'-P energy: -54.556 tors. eta vs tors. theta energy: -81.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -843.705705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.705705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.705705 (E_RNA) where: Base-Base interactions energy: -539.759 where: short stacking energy: -274.018 Base-Backbone interact. energy: -0.379 local terms energy: -303.568120 where: bonds (distance) C4'-P energy: -67.770 bonds (distance) P-C4' energy: -62.329 flat angles C4'-P-C4' energy: -67.899 flat angles P-C4'-P energy: -44.421 tors. eta vs tors. theta energy: -61.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -677.299212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.299212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.299212 (E_RNA) where: Base-Base interactions energy: -378.139 where: short stacking energy: -215.773 Base-Backbone interact. energy: -0.575 local terms energy: -298.585693 where: bonds (distance) C4'-P energy: -63.090 bonds (distance) P-C4' energy: -79.263 flat angles C4'-P-C4' energy: -71.811 flat angles P-C4'-P energy: -39.256 tors. eta vs tors. theta energy: -45.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -674.404271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.404271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.404271 (E_RNA) where: Base-Base interactions energy: -414.032 where: short stacking energy: -207.961 Base-Backbone interact. energy: -1.436 local terms energy: -258.936100 where: bonds (distance) C4'-P energy: -67.575 bonds (distance) P-C4' energy: -57.631 flat angles C4'-P-C4' energy: -68.617 flat angles P-C4'-P energy: -38.749 tors. eta vs tors. theta energy: -26.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -548.107493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.107493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.107493 (E_RNA) where: Base-Base interactions energy: -311.951 where: short stacking energy: -166.910 Base-Backbone interact. energy: -1.782 local terms energy: -234.374652 where: bonds (distance) C4'-P energy: -63.354 bonds (distance) P-C4' energy: -66.896 flat angles C4'-P-C4' energy: -57.732 flat angles P-C4'-P energy: -33.168 tors. eta vs tors. theta energy: -13.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -475.278723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.278723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.278723 (E_RNA) where: Base-Base interactions energy: -237.726 where: short stacking energy: -126.069 Base-Backbone interact. energy: 7.954 local terms energy: -245.507181 where: bonds (distance) C4'-P energy: -74.184 bonds (distance) P-C4' energy: -68.284 flat angles C4'-P-C4' energy: -62.842 flat angles P-C4'-P energy: -31.330 tors. eta vs tors. theta energy: -8.867 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: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1356.336803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.336803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.336803 (E_RNA) where: Base-Base interactions energy: -916.936 where: short stacking energy: -407.406 Base-Backbone interact. energy: -0.807 local terms energy: -438.593712 where: bonds (distance) C4'-P energy: -80.383 bonds (distance) P-C4' energy: -82.113 flat angles C4'-P-C4' energy: -98.856 flat angles P-C4'-P energy: -57.552 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: 2, replica: 4 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1236.254729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.254729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.254729 (E_RNA) where: Base-Base interactions energy: -805.995 where: short stacking energy: -372.538 Base-Backbone interact. energy: -0.752 local terms energy: -429.507314 where: bonds (distance) C4'-P energy: -79.409 bonds (distance) P-C4' energy: -73.116 flat angles C4'-P-C4' energy: -92.051 flat angles P-C4'-P energy: -62.156 tors. eta vs tors. theta energy: -122.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1242.755023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.755023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.755023 (E_RNA) where: Base-Base interactions energy: -819.674 where: short stacking energy: -392.848 Base-Backbone interact. energy: -0.979 local terms energy: -422.102257 where: bonds (distance) C4'-P energy: -85.244 bonds (distance) P-C4' energy: -66.328 flat angles C4'-P-C4' energy: -90.915 flat angles P-C4'-P energy: -60.037 tors. eta vs tors. theta energy: -119.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1187.427955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.427955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.427955 (E_RNA) where: Base-Base interactions energy: -799.519 where: short stacking energy: -341.108 Base-Backbone interact. energy: -0.784 local terms energy: -387.125367 where: bonds (distance) C4'-P energy: -81.733 bonds (distance) P-C4' energy: -78.814 flat angles C4'-P-C4' energy: -74.098 flat angles P-C4'-P energy: -57.116 tors. eta vs tors. theta energy: -95.364 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: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1017.139552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.139552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.139552 (E_RNA) where: Base-Base interactions energy: -679.116 where: short stacking energy: -304.975 Base-Backbone interact. energy: -0.921 local terms energy: -337.102453 where: bonds (distance) C4'-P energy: -65.928 bonds (distance) P-C4' energy: -70.574 flat angles C4'-P-C4' energy: -74.291 flat angles P-C4'-P energy: -48.782 tors. eta vs tors. theta energy: -77.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -868.720743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.720743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.720743 (E_RNA) where: Base-Base interactions energy: -527.113 where: short stacking energy: -261.167 Base-Backbone interact. energy: -1.175 local terms energy: -340.432691 where: bonds (distance) C4'-P energy: -64.111 bonds (distance) P-C4' energy: -81.144 flat angles C4'-P-C4' energy: -72.652 flat angles P-C4'-P energy: -49.396 tors. eta vs tors. theta energy: -73.129 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: 364 Temperature: 1.200000 Total energy: -664.283200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.283200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.283200 (E_RNA) where: Base-Base interactions energy: -390.559 where: short stacking energy: -210.024 Base-Backbone interact. energy: 1.457 local terms energy: -275.181592 where: bonds (distance) C4'-P energy: -66.043 bonds (distance) P-C4' energy: -66.485 flat angles C4'-P-C4' energy: -67.878 flat angles P-C4'-P energy: -37.580 tors. eta vs tors. theta energy: -37.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -654.937369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.937369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.937369 (E_RNA) where: Base-Base interactions energy: -369.901 where: short stacking energy: -187.849 Base-Backbone interact. energy: -0.035 local terms energy: -285.001964 where: bonds (distance) C4'-P energy: -66.515 bonds (distance) P-C4' energy: -65.809 flat angles C4'-P-C4' energy: -80.895 flat angles P-C4'-P energy: -36.443 tors. eta vs tors. theta energy: -35.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -563.021613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.021613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.021613 (E_RNA) where: Base-Base interactions energy: -313.448 where: short stacking energy: -158.003 Base-Backbone interact. energy: 5.950 local terms energy: -255.523695 where: bonds (distance) C4'-P energy: -67.956 bonds (distance) P-C4' energy: -73.417 flat angles C4'-P-C4' energy: -62.459 flat angles P-C4'-P energy: -37.596 tors. eta vs tors. theta energy: -14.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -486.991754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.991754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.991754 (E_RNA) where: Base-Base interactions energy: -244.487 where: short stacking energy: -129.367 Base-Backbone interact. energy: 2.607 local terms energy: -245.111829 where: bonds (distance) C4'-P energy: -67.028 bonds (distance) P-C4' energy: -74.214 flat angles C4'-P-C4' energy: -61.104 flat angles P-C4'-P energy: -29.046 tors. eta vs tors. theta energy: -13.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1367.348339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.348339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.348339 (E_RNA) where: Base-Base interactions energy: -936.166 where: short stacking energy: -416.523 Base-Backbone interact. energy: -0.339 local terms energy: -430.844125 where: bonds (distance) C4'-P energy: -73.067 bonds (distance) P-C4' energy: -89.162 flat angles C4'-P-C4' energy: -94.477 flat angles P-C4'-P energy: -53.700 tors. eta vs tors. theta energy: -120.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1250.344366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.344366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.344366 (E_RNA) where: Base-Base interactions energy: -813.906 where: short stacking energy: -365.538 Base-Backbone interact. energy: -1.860 local terms energy: -434.578857 where: bonds (distance) C4'-P energy: -82.244 bonds (distance) P-C4' energy: -90.676 flat angles C4'-P-C4' energy: -86.898 flat angles P-C4'-P energy: -52.994 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: 3, replica: 9 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1252.674109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.674109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.674109 (E_RNA) where: Base-Base interactions energy: -830.552 where: short stacking energy: -386.417 Base-Backbone interact. energy: -2.459 local terms energy: -419.663162 where: bonds (distance) C4'-P energy: -70.253 bonds (distance) P-C4' energy: -75.740 flat angles C4'-P-C4' energy: -92.562 flat angles P-C4'-P energy: -59.858 tors. eta vs tors. theta energy: -121.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1196.334674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.334674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.334674 (E_RNA) where: Base-Base interactions energy: -829.576 where: short stacking energy: -358.732 Base-Backbone interact. energy: -0.239 local terms energy: -366.519998 where: bonds (distance) C4'-P energy: -64.300 bonds (distance) P-C4' energy: -71.654 flat angles C4'-P-C4' energy: -81.934 flat angles P-C4'-P energy: -43.994 tors. eta vs tors. theta energy: -104.638 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: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1056.642323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.642323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.642323 (E_RNA) where: Base-Base interactions energy: -698.203 where: short stacking energy: -328.050 Base-Backbone interact. energy: -1.910 local terms energy: -356.528838 where: bonds (distance) C4'-P energy: -63.987 bonds (distance) P-C4' energy: -73.702 flat angles C4'-P-C4' energy: -86.441 flat angles P-C4'-P energy: -46.346 tors. eta vs tors. theta energy: -86.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -817.211116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.211116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.211116 (E_RNA) where: Base-Base interactions energy: -503.346 where: short stacking energy: -219.747 Base-Backbone interact. energy: 0.404 local terms energy: -314.269075 where: bonds (distance) C4'-P energy: -69.847 bonds (distance) P-C4' energy: -73.272 flat angles C4'-P-C4' energy: -77.676 flat angles P-C4'-P energy: -47.495 tors. eta vs tors. theta energy: -45.979 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: 3 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -683.147494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.147494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.147494 (E_RNA) where: Base-Base interactions energy: -396.254 where: short stacking energy: -219.987 Base-Backbone interact. energy: 0.219 local terms energy: -287.112606 where: bonds (distance) C4'-P energy: -57.494 bonds (distance) P-C4' energy: -69.951 flat angles C4'-P-C4' energy: -66.527 flat angles P-C4'-P energy: -54.405 tors. eta vs tors. theta energy: -38.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -672.933689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.933689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.933689 (E_RNA) where: Base-Base interactions energy: -384.537 where: short stacking energy: -206.732 Base-Backbone interact. energy: -1.100 local terms energy: -287.296672 where: bonds (distance) C4'-P energy: -63.827 bonds (distance) P-C4' energy: -63.972 flat angles C4'-P-C4' energy: -72.185 flat angles P-C4'-P energy: -45.268 tors. eta vs tors. theta energy: -42.044 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: 9, replica: 5 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -590.390445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.390445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.390445 (E_RNA) where: Base-Base interactions energy: -326.846 where: short stacking energy: -179.029 Base-Backbone interact. energy: 6.019 local terms energy: -269.563109 where: bonds (distance) C4'-P energy: -69.643 bonds (distance) P-C4' energy: -74.354 flat angles C4'-P-C4' energy: -61.301 flat angles P-C4'-P energy: -36.468 tors. eta vs tors. theta energy: -27.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -465.003456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.003456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.003456 (E_RNA) where: Base-Base interactions energy: -256.062 where: short stacking energy: -140.503 Base-Backbone interact. energy: 1.275 local terms energy: -210.216203 where: bonds (distance) C4'-P energy: -45.215 bonds (distance) P-C4' energy: -70.010 flat angles C4'-P-C4' energy: -62.220 flat angles P-C4'-P energy: -24.771 tors. eta vs tors. theta energy: -8.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1351.494895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.494895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.494895 (E_RNA) where: Base-Base interactions energy: -920.093 where: short stacking energy: -414.282 Base-Backbone interact. energy: 0.099 local terms energy: -431.501108 where: bonds (distance) C4'-P energy: -76.414 bonds (distance) P-C4' energy: -81.634 flat angles C4'-P-C4' energy: -90.278 flat angles P-C4'-P energy: -54.208 tors. eta vs tors. theta energy: -128.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1252.867777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.867777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.867777 (E_RNA) where: Base-Base interactions energy: -820.153 where: short stacking energy: -391.786 Base-Backbone interact. energy: -1.154 local terms energy: -431.560112 where: bonds (distance) C4'-P energy: -89.116 bonds (distance) P-C4' energy: -90.825 flat angles C4'-P-C4' energy: -87.636 flat angles P-C4'-P energy: -53.999 tors. eta vs tors. theta energy: -109.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1259.371134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.371134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.371134 (E_RNA) where: Base-Base interactions energy: -838.559 where: short stacking energy: -397.835 Base-Backbone interact. energy: -1.243 local terms energy: -419.569830 where: bonds (distance) C4'-P energy: -76.530 bonds (distance) P-C4' energy: -76.632 flat angles C4'-P-C4' energy: -86.762 flat angles P-C4'-P energy: -66.460 tors. eta vs tors. theta energy: -113.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1183.645720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.645720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.645720 (E_RNA) where: Base-Base interactions energy: -809.569 where: short stacking energy: -355.107 Base-Backbone interact. energy: -0.835 local terms energy: -373.241364 where: bonds (distance) C4'-P energy: -81.325 bonds (distance) P-C4' energy: -68.064 flat angles C4'-P-C4' energy: -71.377 flat angles P-C4'-P energy: -46.138 tors. eta vs tors. theta energy: -106.336 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: 2 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1054.723850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.723850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.723850 (E_RNA) where: Base-Base interactions energy: -692.632 where: short stacking energy: -302.152 Base-Backbone interact. energy: -1.583 local terms energy: -360.509439 where: bonds (distance) C4'-P energy: -73.768 bonds (distance) P-C4' energy: -68.214 flat angles C4'-P-C4' energy: -78.497 flat angles P-C4'-P energy: -55.103 tors. eta vs tors. theta energy: -84.927 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: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -819.172972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.172972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.172972 (E_RNA) where: Base-Base interactions energy: -506.250 where: short stacking energy: -231.683 Base-Backbone interact. energy: -1.247 local terms energy: -311.675377 where: bonds (distance) C4'-P energy: -66.113 bonds (distance) P-C4' energy: -59.340 flat angles C4'-P-C4' energy: -85.382 flat angles P-C4'-P energy: -54.569 tors. eta vs tors. theta energy: -46.271 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: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -653.045910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.045910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.045910 (E_RNA) where: Base-Base interactions energy: -387.135 where: short stacking energy: -196.049 Base-Backbone interact. energy: -1.555 local terms energy: -264.355979 where: bonds (distance) C4'-P energy: -66.694 bonds (distance) P-C4' energy: -69.162 flat angles C4'-P-C4' energy: -55.137 flat angles P-C4'-P energy: -48.752 tors. eta vs tors. theta energy: -24.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -632.069603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.069603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.069603 (E_RNA) where: Base-Base interactions energy: -385.026 where: short stacking energy: -188.006 Base-Backbone interact. energy: 2.129 local terms energy: -249.172832 where: bonds (distance) C4'-P energy: -56.083 bonds (distance) P-C4' energy: -65.665 flat angles C4'-P-C4' energy: -66.002 flat angles P-C4'-P energy: -37.114 tors. eta vs tors. theta energy: -24.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -576.009839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.009839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.009839 (E_RNA) where: Base-Base interactions energy: -314.500 where: short stacking energy: -159.740 Base-Backbone interact. energy: -0.315 local terms energy: -261.195327 where: bonds (distance) C4'-P energy: -62.755 bonds (distance) P-C4' energy: -67.922 flat angles C4'-P-C4' energy: -67.205 flat angles P-C4'-P energy: -43.738 tors. eta vs tors. theta energy: -19.576 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: 8 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -450.250061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.250061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.250061 (E_RNA) where: Base-Base interactions energy: -232.456 where: short stacking energy: -122.065 Base-Backbone interact. energy: 2.874 local terms energy: -220.667932 where: bonds (distance) C4'-P energy: -80.419 bonds (distance) P-C4' energy: -67.849 flat angles C4'-P-C4' energy: -46.115 flat angles P-C4'-P energy: -21.110 tors. eta vs tors. theta energy: -5.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1368.176667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.176667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.176667 (E_RNA) where: Base-Base interactions energy: -905.658 where: short stacking energy: -420.148 Base-Backbone interact. energy: -1.432 local terms energy: -461.086293 where: bonds (distance) C4'-P energy: -86.407 bonds (distance) P-C4' energy: -82.856 flat angles C4'-P-C4' energy: -93.544 flat angles P-C4'-P energy: -64.311 tors. eta vs tors. theta energy: -133.968 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: 4 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1246.938351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.938351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.938351 (E_RNA) where: Base-Base interactions energy: -833.427 where: short stacking energy: -396.074 Base-Backbone interact. energy: 0.307 local terms energy: -413.818366 where: bonds (distance) C4'-P energy: -78.251 bonds (distance) P-C4' energy: -82.223 flat angles C4'-P-C4' energy: -88.692 flat angles P-C4'-P energy: -50.385 tors. eta vs tors. theta energy: -114.266 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: 367 Temperature: 1.000000 Total energy: -1235.878576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.878576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.878576 (E_RNA) where: Base-Base interactions energy: -848.055 where: short stacking energy: -395.288 Base-Backbone interact. energy: -1.583 local terms energy: -386.241081 where: bonds (distance) C4'-P energy: -57.519 bonds (distance) P-C4' energy: -71.664 flat angles C4'-P-C4' energy: -84.577 flat angles P-C4'-P energy: -60.586 tors. eta vs tors. theta energy: -111.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1232.246564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.246564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.246564 (E_RNA) where: Base-Base interactions energy: -840.730 where: short stacking energy: -360.991 Base-Backbone interact. energy: -0.607 local terms energy: -390.909600 where: bonds (distance) C4'-P energy: -79.014 bonds (distance) P-C4' energy: -64.762 flat angles C4'-P-C4' energy: -89.949 flat angles P-C4'-P energy: -57.202 tors. eta vs tors. theta energy: -99.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1029.557289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.557289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.557289 (E_RNA) where: Base-Base interactions energy: -669.831 where: short stacking energy: -295.986 Base-Backbone interact. energy: -1.727 local terms energy: -357.999954 where: bonds (distance) C4'-P energy: -72.757 bonds (distance) P-C4' energy: -73.063 flat angles C4'-P-C4' energy: -82.346 flat angles P-C4'-P energy: -52.506 tors. eta vs tors. theta energy: -77.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -856.017071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.017071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.017071 (E_RNA) where: Base-Base interactions energy: -529.691 where: short stacking energy: -255.688 Base-Backbone interact. energy: 2.189 local terms energy: -328.514899 where: bonds (distance) C4'-P energy: -68.845 bonds (distance) P-C4' energy: -67.682 flat angles C4'-P-C4' energy: -86.682 flat angles P-C4'-P energy: -43.949 tors. eta vs tors. theta energy: -61.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -630.864496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.864496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.864496 (E_RNA) where: Base-Base interactions energy: -364.918 where: short stacking energy: -184.504 Base-Backbone interact. energy: -0.463 local terms energy: -265.483636 where: bonds (distance) C4'-P energy: -70.886 bonds (distance) P-C4' energy: -69.047 flat angles C4'-P-C4' energy: -57.524 flat angles P-C4'-P energy: -39.534 tors. eta vs tors. theta energy: -28.492 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: 367 Temperature: 1.250000 Total energy: -635.075217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.075217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.075217 (E_RNA) where: Base-Base interactions energy: -366.294 where: short stacking energy: -209.019 Base-Backbone interact. energy: -1.227 local terms energy: -267.554428 where: bonds (distance) C4'-P energy: -72.879 bonds (distance) P-C4' energy: -61.704 flat angles C4'-P-C4' energy: -55.904 flat angles P-C4'-P energy: -34.710 tors. eta vs tors. theta energy: -42.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -539.022615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.022615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.022615 (E_RNA) where: Base-Base interactions energy: -320.409 where: short stacking energy: -163.647 Base-Backbone interact. energy: -1.691 local terms energy: -216.922553 where: bonds (distance) C4'-P energy: -52.294 bonds (distance) P-C4' energy: -61.965 flat angles C4'-P-C4' energy: -58.714 flat angles P-C4'-P energy: -34.573 tors. eta vs tors. theta energy: -9.376 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: 10, replica: 8 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -450.259287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.259287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.259287 (E_RNA) where: Base-Base interactions energy: -248.757 where: short stacking energy: -136.987 Base-Backbone interact. energy: 0.302 local terms energy: -201.803876 where: bonds (distance) C4'-P energy: -40.786 bonds (distance) P-C4' energy: -72.475 flat angles C4'-P-C4' energy: -58.790 flat angles P-C4'-P energy: -25.640 tors. eta vs tors. theta energy: -4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1378.719293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.719293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.719293 (E_RNA) where: Base-Base interactions energy: -939.480 where: short stacking energy: -436.654 Base-Backbone interact. energy: -0.509 local terms energy: -438.731011 where: bonds (distance) C4'-P energy: -80.478 bonds (distance) P-C4' energy: -75.618 flat angles C4'-P-C4' energy: -95.366 flat angles P-C4'-P energy: -60.945 tors. eta vs tors. theta energy: -126.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1275.792582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.792582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.792582 (E_RNA) where: Base-Base interactions energy: -852.231 where: short stacking energy: -412.047 Base-Backbone interact. energy: -1.009 local terms energy: -422.552238 where: bonds (distance) C4'-P energy: -77.691 bonds (distance) P-C4' energy: -80.400 flat angles C4'-P-C4' energy: -85.924 flat angles P-C4'-P energy: -51.061 tors. eta vs tors. theta energy: -127.476 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: 368 Temperature: 1.000000 Total energy: -1205.135398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.135398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.135398 (E_RNA) where: Base-Base interactions energy: -790.856 where: short stacking energy: -364.400 Base-Backbone interact. energy: -0.487 local terms energy: -413.792184 where: bonds (distance) C4'-P energy: -73.263 bonds (distance) P-C4' energy: -74.968 flat angles C4'-P-C4' energy: -89.541 flat angles P-C4'-P energy: -63.741 tors. eta vs tors. theta energy: -112.280 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: 7 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1194.428262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.428262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.428262 (E_RNA) where: Base-Base interactions energy: -805.095 where: short stacking energy: -331.644 Base-Backbone interact. energy: -0.317 local terms energy: -389.017003 where: bonds (distance) C4'-P energy: -85.156 bonds (distance) P-C4' energy: -76.437 flat angles C4'-P-C4' energy: -88.499 flat angles P-C4'-P energy: -51.180 tors. eta vs tors. theta energy: -87.746 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: 368 Temperature: 1.100000 Total energy: -1016.828798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.828798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.828798 (E_RNA) where: Base-Base interactions energy: -664.845 where: short stacking energy: -289.257 Base-Backbone interact. energy: -2.462 local terms energy: -349.521839 where: bonds (distance) C4'-P energy: -72.288 bonds (distance) P-C4' energy: -78.961 flat angles C4'-P-C4' energy: -84.581 flat angles P-C4'-P energy: -45.835 tors. eta vs tors. theta energy: -67.857 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: 1 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -851.872366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.872366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.872366 (E_RNA) where: Base-Base interactions energy: -517.987 where: short stacking energy: -257.958 Base-Backbone interact. energy: -0.486 local terms energy: -333.399402 where: bonds (distance) C4'-P energy: -78.521 bonds (distance) P-C4' energy: -80.423 flat angles C4'-P-C4' energy: -78.051 flat angles P-C4'-P energy: -37.819 tors. eta vs tors. theta energy: -58.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -703.866452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.866452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.866452 (E_RNA) where: Base-Base interactions energy: -419.715 where: short stacking energy: -214.757 Base-Backbone interact. energy: -1.357 local terms energy: -282.793909 where: bonds (distance) C4'-P energy: -59.203 bonds (distance) P-C4' energy: -65.825 flat angles C4'-P-C4' energy: -73.930 flat angles P-C4'-P energy: -40.004 tors. eta vs tors. theta energy: -43.832 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: 8, replica: 3 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -644.811700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.811700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.811700 (E_RNA) where: Base-Base interactions energy: -378.190 where: short stacking energy: -186.974 Base-Backbone interact. energy: 4.079 local terms energy: -270.700344 where: bonds (distance) C4'-P energy: -57.489 bonds (distance) P-C4' energy: -72.044 flat angles C4'-P-C4' energy: -62.365 flat angles P-C4'-P energy: -48.164 tors. eta vs tors. theta energy: -30.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -530.114329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.114329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.114329 (E_RNA) where: Base-Base interactions energy: -286.029 where: short stacking energy: -145.046 Base-Backbone interact. energy: 3.623 local terms energy: -247.708915 where: bonds (distance) C4'-P energy: -64.139 bonds (distance) P-C4' energy: -72.874 flat angles C4'-P-C4' energy: -66.224 flat angles P-C4'-P energy: -20.003 tors. eta vs tors. theta energy: -24.470 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: 368 Temperature: 1.350000 Total energy: -460.682131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.682131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.682131 (E_RNA) where: Base-Base interactions energy: -219.661 where: short stacking energy: -144.400 Base-Backbone interact. energy: 3.638 local terms energy: -244.658557 where: bonds (distance) C4'-P energy: -74.199 bonds (distance) P-C4' energy: -49.424 flat angles C4'-P-C4' energy: -62.551 flat angles P-C4'-P energy: -47.222 tors. eta vs tors. theta energy: -11.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1363.058955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.058955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.058955 (E_RNA) where: Base-Base interactions energy: -922.041 where: short stacking energy: -419.655 Base-Backbone interact. energy: -1.995 local terms energy: -439.022899 where: bonds (distance) C4'-P energy: -78.596 bonds (distance) P-C4' energy: -78.744 flat angles C4'-P-C4' energy: -90.662 flat angles P-C4'-P energy: -60.404 tors. eta vs tors. theta energy: -130.616 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: 4 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1266.777734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.777734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.777734 (E_RNA) where: Base-Base interactions energy: -855.149 where: short stacking energy: -393.221 Base-Backbone interact. energy: -0.711 local terms energy: -410.917697 where: bonds (distance) C4'-P energy: -79.795 bonds (distance) P-C4' energy: -75.133 flat angles C4'-P-C4' energy: -85.609 flat angles P-C4'-P energy: -57.415 tors. eta vs tors. theta energy: -112.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1197.459156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.459156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.459156 (E_RNA) where: Base-Base interactions energy: -793.481 where: short stacking energy: -372.402 Base-Backbone interact. energy: -1.977 local terms energy: -402.000263 where: bonds (distance) C4'-P energy: -82.202 bonds (distance) P-C4' energy: -77.116 flat angles C4'-P-C4' energy: -87.121 flat angles P-C4'-P energy: -43.071 tors. eta vs tors. theta energy: -112.490 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: 7 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1176.916795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.916795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.916795 (E_RNA) where: Base-Base interactions energy: -791.917 where: short stacking energy: -342.956 Base-Backbone interact. energy: -0.991 local terms energy: -384.008255 where: bonds (distance) C4'-P energy: -68.681 bonds (distance) P-C4' energy: -66.965 flat angles C4'-P-C4' energy: -85.972 flat angles P-C4'-P energy: -63.504 tors. eta vs tors. theta energy: -98.886 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: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1016.482833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.482833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.482833 (E_RNA) where: Base-Base interactions energy: -664.518 where: short stacking energy: -301.168 Base-Backbone interact. energy: -2.324 local terms energy: -349.640857 where: bonds (distance) C4'-P energy: -68.480 bonds (distance) P-C4' energy: -67.833 flat angles C4'-P-C4' energy: -82.390 flat angles P-C4'-P energy: -53.847 tors. eta vs tors. theta energy: -77.090 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: 1 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -785.546286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.546286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.546286 (E_RNA) where: Base-Base interactions energy: -477.530 where: short stacking energy: -244.723 Base-Backbone interact. energy: -0.354 local terms energy: -307.662310 where: bonds (distance) C4'-P energy: -65.635 bonds (distance) P-C4' energy: -73.120 flat angles C4'-P-C4' energy: -62.494 flat angles P-C4'-P energy: -44.321 tors. eta vs tors. theta energy: -62.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -705.971191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.971191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.971191 (E_RNA) where: Base-Base interactions energy: -419.230 where: short stacking energy: -217.583 Base-Backbone interact. energy: -2.559 local terms energy: -284.181863 where: bonds (distance) C4'-P energy: -61.809 bonds (distance) P-C4' energy: -58.281 flat angles C4'-P-C4' energy: -71.811 flat angles P-C4'-P energy: -43.601 tors. eta vs tors. theta energy: -48.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -684.867873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.867873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.867873 (E_RNA) where: Base-Base interactions energy: -388.344 where: short stacking energy: -186.882 Base-Backbone interact. energy: -1.187 local terms energy: -295.336379 where: bonds (distance) C4'-P energy: -67.912 bonds (distance) P-C4' energy: -78.428 flat angles C4'-P-C4' energy: -78.593 flat angles P-C4'-P energy: -32.787 tors. eta vs tors. theta energy: -37.617 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: 5 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -585.637899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.637899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.637899 (E_RNA) where: Base-Base interactions energy: -337.708 where: short stacking energy: -167.973 Base-Backbone interact. energy: -0.774 local terms energy: -247.155258 where: bonds (distance) C4'-P energy: -44.691 bonds (distance) P-C4' energy: -75.679 flat angles C4'-P-C4' energy: -63.296 flat angles P-C4'-P energy: -32.482 tors. eta vs tors. theta energy: -31.007 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: 8 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -404.490275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.490275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.490275 (E_RNA) where: Base-Base interactions energy: -183.093 where: short stacking energy: -122.321 Base-Backbone interact. energy: 1.502 local terms energy: -222.899201 where: bonds (distance) C4'-P energy: -57.282 bonds (distance) P-C4' energy: -67.861 flat angles C4'-P-C4' energy: -54.694 flat angles P-C4'-P energy: -40.144 tors. eta vs tors. theta energy: -2.918 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: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1372.892754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.892754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.892754 (E_RNA) where: Base-Base interactions energy: -931.102 where: short stacking energy: -429.316 Base-Backbone interact. energy: -2.226 local terms energy: -439.564764 where: bonds (distance) C4'-P energy: -80.441 bonds (distance) P-C4' energy: -81.875 flat angles C4'-P-C4' energy: -86.785 flat angles P-C4'-P energy: -57.896 tors. eta vs tors. theta energy: -132.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1271.792592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.792592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.792592 (E_RNA) where: Base-Base interactions energy: -860.311 where: short stacking energy: -404.103 Base-Backbone interact. energy: -1.837 local terms energy: -409.644418 where: bonds (distance) C4'-P energy: -67.188 bonds (distance) P-C4' energy: -73.666 flat angles C4'-P-C4' energy: -88.482 flat angles P-C4'-P energy: -58.585 tors. eta vs tors. theta energy: -121.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1240.211734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.211734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.211734 (E_RNA) where: Base-Base interactions energy: -839.007 where: short stacking energy: -375.637 Base-Backbone interact. energy: 0.478 local terms energy: -401.683462 where: bonds (distance) C4'-P energy: -76.133 bonds (distance) P-C4' energy: -74.472 flat angles C4'-P-C4' energy: -85.774 flat angles P-C4'-P energy: -51.544 tors. eta vs tors. theta energy: -113.761 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: 9 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1153.227740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.227740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.227740 (E_RNA) where: Base-Base interactions energy: -782.761 where: short stacking energy: -351.626 Base-Backbone interact. energy: -0.681 local terms energy: -369.785950 where: bonds (distance) C4'-P energy: -71.701 bonds (distance) P-C4' energy: -60.341 flat angles C4'-P-C4' energy: -81.608 flat angles P-C4'-P energy: -49.277 tors. eta vs tors. theta energy: -106.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1024.482800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.482800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.482800 (E_RNA) where: Base-Base interactions energy: -660.379 where: short stacking energy: -299.886 Base-Backbone interact. energy: -2.766 local terms energy: -361.338101 where: bonds (distance) C4'-P energy: -67.391 bonds (distance) P-C4' energy: -78.565 flat angles C4'-P-C4' energy: -84.686 flat angles P-C4'-P energy: -48.515 tors. eta vs tors. theta energy: -82.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -828.805273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.805273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.805273 (E_RNA) where: Base-Base interactions energy: -516.802 where: short stacking energy: -241.482 Base-Backbone interact. energy: 1.066 local terms energy: -313.069724 where: bonds (distance) C4'-P energy: -75.776 bonds (distance) P-C4' energy: -66.093 flat angles C4'-P-C4' energy: -67.416 flat angles P-C4'-P energy: -48.165 tors. eta vs tors. theta energy: -55.620 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: 370 Temperature: 1.200000 Total energy: -725.315613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.315613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.315613 (E_RNA) where: Base-Base interactions energy: -417.161 where: short stacking energy: -208.769 Base-Backbone interact. energy: -0.392 local terms energy: -307.763170 where: bonds (distance) C4'-P energy: -76.982 bonds (distance) P-C4' energy: -69.461 flat angles C4'-P-C4' energy: -76.673 flat angles P-C4'-P energy: -41.389 tors. eta vs tors. theta energy: -43.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -628.486713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.486713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.486713 (E_RNA) where: Base-Base interactions energy: -368.019 where: short stacking energy: -183.617 Base-Backbone interact. energy: -1.235 local terms energy: -259.232002 where: bonds (distance) C4'-P energy: -64.685 bonds (distance) P-C4' energy: -71.691 flat angles C4'-P-C4' energy: -60.682 flat angles P-C4'-P energy: -39.629 tors. eta vs tors. theta energy: -22.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -556.893977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.893977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.893977 (E_RNA) where: Base-Base interactions energy: -303.307 where: short stacking energy: -157.757 Base-Backbone interact. energy: 0.381 local terms energy: -253.967652 where: bonds (distance) C4'-P energy: -69.279 bonds (distance) P-C4' energy: -68.174 flat angles C4'-P-C4' energy: -76.817 flat angles P-C4'-P energy: -27.961 tors. eta vs tors. theta energy: -11.737 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: 370 Temperature: 1.350000 Total energy: -400.765014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.765014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.765014 (E_RNA) where: Base-Base interactions energy: -183.661 where: short stacking energy: -98.556 Base-Backbone interact. energy: -1.005 local terms energy: -216.099778 where: bonds (distance) C4'-P energy: -55.702 bonds (distance) P-C4' energy: -83.138 flat angles C4'-P-C4' energy: -66.074 flat angles P-C4'-P energy: -28.422 tors. eta vs tors. theta energy: 17.236 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: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1358.417204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.417204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.417204 (E_RNA) where: Base-Base interactions energy: -915.651 where: short stacking energy: -417.116 Base-Backbone interact. energy: -1.118 local terms energy: -441.647735 where: bonds (distance) C4'-P energy: -75.284 bonds (distance) P-C4' energy: -70.446 flat angles C4'-P-C4' energy: -100.234 flat angles P-C4'-P energy: -65.437 tors. eta vs tors. theta energy: -130.247 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: 4 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1244.223764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.223764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.223764 (E_RNA) where: Base-Base interactions energy: -819.497 where: short stacking energy: -386.964 Base-Backbone interact. energy: -0.818 local terms energy: -423.908933 where: bonds (distance) C4'-P energy: -75.427 bonds (distance) P-C4' energy: -79.808 flat angles C4'-P-C4' energy: -86.343 flat angles P-C4'-P energy: -60.935 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: 3, replica: 7 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1220.637405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.637405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.637405 (E_RNA) where: Base-Base interactions energy: -828.929 where: short stacking energy: -352.376 Base-Backbone interact. energy: -1.405 local terms energy: -390.303926 where: bonds (distance) C4'-P energy: -65.057 bonds (distance) P-C4' energy: -87.517 flat angles C4'-P-C4' energy: -86.003 flat angles P-C4'-P energy: -53.667 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: 4, replica: 9 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1160.165241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.165241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.165241 (E_RNA) where: Base-Base interactions energy: -785.943 where: short stacking energy: -349.435 Base-Backbone interact. energy: -0.352 local terms energy: -373.869833 where: bonds (distance) C4'-P energy: -63.760 bonds (distance) P-C4' energy: -70.519 flat angles C4'-P-C4' energy: -86.176 flat angles P-C4'-P energy: -57.558 tors. eta vs tors. theta energy: -95.858 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: 2 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1047.703839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.703839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.703839 (E_RNA) where: Base-Base interactions energy: -676.674 where: short stacking energy: -295.388 Base-Backbone interact. energy: -3.048 local terms energy: -367.981927 where: bonds (distance) C4'-P energy: -75.634 bonds (distance) P-C4' energy: -76.869 flat angles C4'-P-C4' energy: -79.485 flat angles P-C4'-P energy: -58.716 tors. eta vs tors. theta energy: -77.279 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: 1 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -862.544026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.544026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.544026 (E_RNA) where: Base-Base interactions energy: -538.830 where: short stacking energy: -261.073 Base-Backbone interact. energy: -0.111 local terms energy: -323.602902 where: bonds (distance) C4'-P energy: -66.595 bonds (distance) P-C4' energy: -76.727 flat angles C4'-P-C4' energy: -74.674 flat angles P-C4'-P energy: -41.330 tors. eta vs tors. theta energy: -64.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -709.324364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.324364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.324364 (E_RNA) where: Base-Base interactions energy: -400.957 where: short stacking energy: -190.116 Base-Backbone interact. energy: -1.767 local terms energy: -306.599941 where: bonds (distance) C4'-P energy: -69.296 bonds (distance) P-C4' energy: -82.203 flat angles C4'-P-C4' energy: -70.916 flat angles P-C4'-P energy: -55.598 tors. eta vs tors. theta energy: -28.587 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: 6 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -620.151740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.151740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.151740 (E_RNA) where: Base-Base interactions energy: -351.062 where: short stacking energy: -184.427 Base-Backbone interact. energy: -0.723 local terms energy: -268.365898 where: bonds (distance) C4'-P energy: -50.137 bonds (distance) P-C4' energy: -82.779 flat angles C4'-P-C4' energy: -63.767 flat angles P-C4'-P energy: -42.377 tors. eta vs tors. theta energy: -29.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -561.672120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.672120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.672120 (E_RNA) where: Base-Base interactions energy: -314.322 where: short stacking energy: -153.249 Base-Backbone interact. energy: -0.465 local terms energy: -246.885200 where: bonds (distance) C4'-P energy: -73.305 bonds (distance) P-C4' energy: -65.898 flat angles C4'-P-C4' energy: -72.187 flat angles P-C4'-P energy: -24.548 tors. eta vs tors. theta energy: -10.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -392.218133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.218133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.218133 (E_RNA) where: Base-Base interactions energy: -165.438 where: short stacking energy: -111.266 Base-Backbone interact. energy: 0.573 local terms energy: -227.353845 where: bonds (distance) C4'-P energy: -59.206 bonds (distance) P-C4' energy: -61.112 flat angles C4'-P-C4' energy: -67.528 flat angles P-C4'-P energy: -34.172 tors. eta vs tors. theta energy: -5.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1373.996338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.996338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.996338 (E_RNA) where: Base-Base interactions energy: -925.237 where: short stacking energy: -408.758 Base-Backbone interact. energy: -0.481 local terms energy: -448.278619 where: bonds (distance) C4'-P energy: -90.378 bonds (distance) P-C4' energy: -79.569 flat angles C4'-P-C4' energy: -90.185 flat angles P-C4'-P energy: -61.530 tors. eta vs tors. theta energy: -126.616 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: 4 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1251.683607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.683607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.683607 (E_RNA) where: Base-Base interactions energy: -821.641 where: short stacking energy: -395.768 Base-Backbone interact. energy: -0.578 local terms energy: -429.464234 where: bonds (distance) C4'-P energy: -76.753 bonds (distance) P-C4' energy: -84.283 flat angles C4'-P-C4' energy: -89.619 flat angles P-C4'-P energy: -49.947 tors. eta vs tors. theta energy: -128.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1210.024857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.024857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.024857 (E_RNA) where: Base-Base interactions energy: -812.483 where: short stacking energy: -370.071 Base-Backbone interact. energy: -1.456 local terms energy: -396.086080 where: bonds (distance) C4'-P energy: -62.756 bonds (distance) P-C4' energy: -83.481 flat angles C4'-P-C4' energy: -86.946 flat angles P-C4'-P energy: -54.684 tors. eta vs tors. theta energy: -108.218 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: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1217.236640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.236640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.236640 (E_RNA) where: Base-Base interactions energy: -823.263 where: short stacking energy: -348.153 Base-Backbone interact. energy: -1.142 local terms energy: -392.831860 where: bonds (distance) C4'-P energy: -72.195 bonds (distance) P-C4' energy: -70.716 flat angles C4'-P-C4' energy: -91.944 flat angles P-C4'-P energy: -61.634 tors. eta vs tors. theta energy: -96.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1052.260632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.260632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.260632 (E_RNA) where: Base-Base interactions energy: -681.921 where: short stacking energy: -300.842 Base-Backbone interact. energy: -0.090 local terms energy: -370.249264 where: bonds (distance) C4'-P energy: -79.335 bonds (distance) P-C4' energy: -80.031 flat angles C4'-P-C4' energy: -68.448 flat angles P-C4'-P energy: -52.258 tors. eta vs tors. theta energy: -90.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -887.270530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.270530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.270530 (E_RNA) where: Base-Base interactions energy: -570.124 where: short stacking energy: -256.063 Base-Backbone interact. energy: -1.006 local terms energy: -316.140554 where: bonds (distance) C4'-P energy: -81.364 bonds (distance) P-C4' energy: -59.281 flat angles C4'-P-C4' energy: -67.190 flat angles P-C4'-P energy: -44.438 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: 7, replica: 3 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -733.482541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.482541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.482541 (E_RNA) where: Base-Base interactions energy: -455.763 where: short stacking energy: -225.013 Base-Backbone interact. energy: -0.931 local terms energy: -276.788773 where: bonds (distance) C4'-P energy: -51.507 bonds (distance) P-C4' energy: -76.905 flat angles C4'-P-C4' energy: -56.075 flat angles P-C4'-P energy: -43.335 tors. eta vs tors. theta energy: -48.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -640.520032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.520032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.520032 (E_RNA) where: Base-Base interactions energy: -367.651 where: short stacking energy: -201.698 Base-Backbone interact. energy: -0.268 local terms energy: -272.600795 where: bonds (distance) C4'-P energy: -63.699 bonds (distance) P-C4' energy: -67.864 flat angles C4'-P-C4' energy: -72.051 flat angles P-C4'-P energy: -36.079 tors. eta vs tors. theta energy: -32.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -606.350588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.350588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.350588 (E_RNA) where: Base-Base interactions energy: -359.638 where: short stacking energy: -192.783 Base-Backbone interact. energy: 3.177 local terms energy: -249.890221 where: bonds (distance) C4'-P energy: -60.856 bonds (distance) P-C4' energy: -75.196 flat angles C4'-P-C4' energy: -56.372 flat angles P-C4'-P energy: -35.998 tors. eta vs tors. theta energy: -21.469 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: 372 Temperature: 1.350000 Total energy: -394.045818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.045818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.045818 (E_RNA) where: Base-Base interactions energy: -159.112 where: short stacking energy: -100.688 Base-Backbone interact. energy: 2.499 local terms energy: -237.432923 where: bonds (distance) C4'-P energy: -77.842 bonds (distance) P-C4' energy: -64.640 flat angles C4'-P-C4' energy: -56.067 flat angles P-C4'-P energy: -33.093 tors. eta vs tors. theta energy: -5.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1393.939075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.939075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.939075 (E_RNA) where: Base-Base interactions energy: -955.021 where: short stacking energy: -410.490 Base-Backbone interact. energy: -1.286 local terms energy: -437.631779 where: bonds (distance) C4'-P energy: -81.379 bonds (distance) P-C4' energy: -81.749 flat angles C4'-P-C4' energy: -86.296 flat angles P-C4'-P energy: -62.985 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: 2, replica: 4 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1261.347332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.347332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.347332 (E_RNA) where: Base-Base interactions energy: -841.122 where: short stacking energy: -407.223 Base-Backbone interact. energy: -0.538 local terms energy: -419.687685 where: bonds (distance) C4'-P energy: -82.014 bonds (distance) P-C4' energy: -65.990 flat angles C4'-P-C4' energy: -86.679 flat angles P-C4'-P energy: -65.800 tors. eta vs tors. theta energy: -119.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1213.085073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.085073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.085073 (E_RNA) where: Base-Base interactions energy: -790.182 where: short stacking energy: -352.297 Base-Backbone interact. energy: -1.632 local terms energy: -421.271692 where: bonds (distance) C4'-P energy: -94.302 bonds (distance) P-C4' energy: -69.287 flat angles C4'-P-C4' energy: -88.978 flat angles P-C4'-P energy: -55.432 tors. eta vs tors. theta energy: -113.272 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: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1167.560623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.560623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.560623 (E_RNA) where: Base-Base interactions energy: -772.599 where: short stacking energy: -332.314 Base-Backbone interact. energy: -1.119 local terms energy: -393.843345 where: bonds (distance) C4'-P energy: -79.242 bonds (distance) P-C4' energy: -77.476 flat angles C4'-P-C4' energy: -78.230 flat angles P-C4'-P energy: -61.611 tors. eta vs tors. theta energy: -97.284 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: 373 Temperature: 1.100000 Total energy: -1037.072829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.072829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.072829 (E_RNA) where: Base-Base interactions energy: -700.392 where: short stacking energy: -301.217 Base-Backbone interact. energy: -0.698 local terms energy: -335.983158 where: bonds (distance) C4'-P energy: -75.466 bonds (distance) P-C4' energy: -66.924 flat angles C4'-P-C4' energy: -74.711 flat angles P-C4'-P energy: -54.938 tors. eta vs tors. theta energy: -63.944 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: 373 Temperature: 1.150000 Total energy: -823.757872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.757872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.757872 (E_RNA) where: Base-Base interactions energy: -530.166 where: short stacking energy: -251.247 Base-Backbone interact. energy: -0.437 local terms energy: -293.154746 where: bonds (distance) C4'-P energy: -59.987 bonds (distance) P-C4' energy: -62.483 flat angles C4'-P-C4' energy: -74.092 flat angles P-C4'-P energy: -42.563 tors. eta vs tors. theta energy: -54.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -745.304889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.304889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.304889 (E_RNA) where: Base-Base interactions energy: -436.402 where: short stacking energy: -233.846 Base-Backbone interact. energy: 0.502 local terms energy: -309.404784 where: bonds (distance) C4'-P energy: -55.774 bonds (distance) P-C4' energy: -78.712 flat angles C4'-P-C4' energy: -74.302 flat angles P-C4'-P energy: -42.744 tors. eta vs tors. theta energy: -57.872 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: 6 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -638.081341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.081341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.081341 (E_RNA) where: Base-Base interactions energy: -390.194 where: short stacking energy: -199.216 Base-Backbone interact. energy: 1.240 local terms energy: -249.127626 where: bonds (distance) C4'-P energy: -69.082 bonds (distance) P-C4' energy: -58.002 flat angles C4'-P-C4' energy: -52.908 flat angles P-C4'-P energy: -41.956 tors. eta vs tors. theta energy: -27.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -601.280180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.280180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.280180 (E_RNA) where: Base-Base interactions energy: -344.316 where: short stacking energy: -178.311 Base-Backbone interact. energy: -0.469 local terms energy: -256.494595 where: bonds (distance) C4'-P energy: -70.124 bonds (distance) P-C4' energy: -69.029 flat angles C4'-P-C4' energy: -69.606 flat angles P-C4'-P energy: -33.311 tors. eta vs tors. theta energy: -14.425 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: 373 Temperature: 1.350000 Total energy: -380.579066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.579066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.579066 (E_RNA) where: Base-Base interactions energy: -171.570 where: short stacking energy: -119.535 Base-Backbone interact. energy: 0.247 local terms energy: -209.255867 where: bonds (distance) C4'-P energy: -68.139 bonds (distance) P-C4' energy: -67.874 flat angles C4'-P-C4' energy: -48.356 flat angles P-C4'-P energy: -25.188 tors. eta vs tors. theta energy: 0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1400.791628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.791628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.791628 (E_RNA) where: Base-Base interactions energy: -947.550 where: short stacking energy: -421.553 Base-Backbone interact. energy: -1.793 local terms energy: -451.448753 where: bonds (distance) C4'-P energy: -80.396 bonds (distance) P-C4' energy: -84.983 flat angles C4'-P-C4' energy: -92.766 flat angles P-C4'-P energy: -62.134 tors. eta vs tors. theta energy: -131.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1261.377158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.377158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.377158 (E_RNA) where: Base-Base interactions energy: -828.797 where: short stacking energy: -386.568 Base-Backbone interact. energy: -0.268 local terms energy: -432.311934 where: bonds (distance) C4'-P energy: -80.722 bonds (distance) P-C4' energy: -83.317 flat angles C4'-P-C4' energy: -82.626 flat angles P-C4'-P energy: -58.394 tors. eta vs tors. theta energy: -127.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1217.877220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.877220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.877220 (E_RNA) where: Base-Base interactions energy: -828.799 where: short stacking energy: -367.069 Base-Backbone interact. energy: 1.445 local terms energy: -390.523719 where: bonds (distance) C4'-P energy: -74.058 bonds (distance) P-C4' energy: -80.032 flat angles C4'-P-C4' energy: -79.928 flat angles P-C4'-P energy: -52.944 tors. eta vs tors. theta energy: -103.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1156.491311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.491311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.491311 (E_RNA) where: Base-Base interactions energy: -766.797 where: short stacking energy: -350.418 Base-Backbone interact. energy: -0.029 local terms energy: -389.665778 where: bonds (distance) C4'-P energy: -79.656 bonds (distance) P-C4' energy: -64.654 flat angles C4'-P-C4' energy: -83.228 flat angles P-C4'-P energy: -58.320 tors. eta vs tors. theta energy: -103.807 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: 5, replica: 2 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1053.391790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.391790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.391790 (E_RNA) where: Base-Base interactions energy: -682.283 where: short stacking energy: -289.551 Base-Backbone interact. energy: -0.483 local terms energy: -370.625592 where: bonds (distance) C4'-P energy: -66.890 bonds (distance) P-C4' energy: -77.053 flat angles C4'-P-C4' energy: -88.845 flat angles P-C4'-P energy: -65.327 tors. eta vs tors. theta energy: -72.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -803.258372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.258372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.258372 (E_RNA) where: Base-Base interactions energy: -524.149 where: short stacking energy: -224.141 Base-Backbone interact. energy: 9.244 local terms energy: -288.354295 where: bonds (distance) C4'-P energy: -61.084 bonds (distance) P-C4' energy: -81.559 flat angles C4'-P-C4' energy: -61.002 flat angles P-C4'-P energy: -46.336 tors. eta vs tors. theta energy: -38.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -703.841434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.841434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.841434 (E_RNA) where: Base-Base interactions energy: -426.192 where: short stacking energy: -206.439 Base-Backbone interact. energy: 2.131 local terms energy: -279.780710 where: bonds (distance) C4'-P energy: -62.745 bonds (distance) P-C4' energy: -77.154 flat angles C4'-P-C4' energy: -69.066 flat angles P-C4'-P energy: -40.430 tors. eta vs tors. theta energy: -30.386 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: 6 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -649.585003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.585003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.585003 (E_RNA) where: Base-Base interactions energy: -395.608 where: short stacking energy: -200.888 Base-Backbone interact. energy: -0.713 local terms energy: -253.263391 where: bonds (distance) C4'-P energy: -56.155 bonds (distance) P-C4' energy: -56.526 flat angles C4'-P-C4' energy: -67.944 flat angles P-C4'-P energy: -41.351 tors. eta vs tors. theta energy: -31.287 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: 5 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -572.567131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.567131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.567131 (E_RNA) where: Base-Base interactions energy: -331.855 where: short stacking energy: -182.471 Base-Backbone interact. energy: 0.446 local terms energy: -241.157521 where: bonds (distance) C4'-P energy: -57.781 bonds (distance) P-C4' energy: -62.486 flat angles C4'-P-C4' energy: -63.136 flat angles P-C4'-P energy: -37.159 tors. eta vs tors. theta energy: -20.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -389.182820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.182820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.182820 (E_RNA) where: Base-Base interactions energy: -177.097 where: short stacking energy: -115.075 Base-Backbone interact. energy: -0.137 local terms energy: -211.948586 where: bonds (distance) C4'-P energy: -52.974 bonds (distance) P-C4' energy: -73.669 flat angles C4'-P-C4' energy: -53.533 flat angles P-C4'-P energy: -30.334 tors. eta vs tors. theta energy: -1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1376.107003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.107003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.107003 (E_RNA) where: Base-Base interactions energy: -947.677 where: short stacking energy: -430.580 Base-Backbone interact. energy: 0.182 local terms energy: -428.611714 where: bonds (distance) C4'-P energy: -68.321 bonds (distance) P-C4' energy: -79.394 flat angles C4'-P-C4' energy: -91.424 flat angles P-C4'-P energy: -59.183 tors. eta vs tors. theta energy: -130.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1259.806016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.806016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.806016 (E_RNA) where: Base-Base interactions energy: -861.130 where: short stacking energy: -411.953 Base-Backbone interact. energy: 0.465 local terms energy: -399.140874 where: bonds (distance) C4'-P energy: -76.950 bonds (distance) P-C4' energy: -72.960 flat angles C4'-P-C4' energy: -82.835 flat angles P-C4'-P energy: -44.188 tors. eta vs tors. theta energy: -122.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1224.875169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.875169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.875169 (E_RNA) where: Base-Base interactions energy: -823.174 where: short stacking energy: -337.531 Base-Backbone interact. energy: -1.490 local terms energy: -400.211244 where: bonds (distance) C4'-P energy: -82.687 bonds (distance) P-C4' energy: -77.695 flat angles C4'-P-C4' energy: -80.899 flat angles P-C4'-P energy: -54.472 tors. eta vs tors. theta energy: -104.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1179.146458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.146458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.146458 (E_RNA) where: Base-Base interactions energy: -785.538 where: short stacking energy: -359.398 Base-Backbone interact. energy: -0.332 local terms energy: -393.277064 where: bonds (distance) C4'-P energy: -70.376 bonds (distance) P-C4' energy: -77.845 flat angles C4'-P-C4' energy: -87.637 flat angles P-C4'-P energy: -52.863 tors. eta vs tors. theta energy: -104.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1030.393222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.393222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.393222 (E_RNA) where: Base-Base interactions energy: -696.938 where: short stacking energy: -297.916 Base-Backbone interact. energy: -2.057 local terms energy: -331.397302 where: bonds (distance) C4'-P energy: -66.701 bonds (distance) P-C4' energy: -71.463 flat angles C4'-P-C4' energy: -79.167 flat angles P-C4'-P energy: -48.251 tors. eta vs tors. theta energy: -65.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -770.303180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.303180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.303180 (E_RNA) where: Base-Base interactions energy: -463.554 where: short stacking energy: -233.693 Base-Backbone interact. energy: 0.522 local terms energy: -307.271299 where: bonds (distance) C4'-P energy: -73.847 bonds (distance) P-C4' energy: -72.352 flat angles C4'-P-C4' energy: -71.611 flat angles P-C4'-P energy: -42.822 tors. eta vs tors. theta energy: -46.639 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: 7, replica: 1 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -751.574869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.574869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.574869 (E_RNA) where: Base-Base interactions energy: -476.457 where: short stacking energy: -213.797 Base-Backbone interact. energy: -2.999 local terms energy: -272.118731 where: bonds (distance) C4'-P energy: -69.153 bonds (distance) P-C4' energy: -65.564 flat angles C4'-P-C4' energy: -65.063 flat angles P-C4'-P energy: -35.151 tors. eta vs tors. theta energy: -37.187 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: 5 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -662.969953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.969953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.969953 (E_RNA) where: Base-Base interactions energy: -366.098 where: short stacking energy: -189.367 Base-Backbone interact. energy: -1.291 local terms energy: -295.581283 where: bonds (distance) C4'-P energy: -71.781 bonds (distance) P-C4' energy: -70.096 flat angles C4'-P-C4' energy: -78.703 flat angles P-C4'-P energy: -40.127 tors. eta vs tors. theta energy: -34.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -555.651684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.651684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.651684 (E_RNA) where: Base-Base interactions energy: -293.667 where: short stacking energy: -143.766 Base-Backbone interact. energy: -0.102 local terms energy: -261.882566 where: bonds (distance) C4'-P energy: -54.704 bonds (distance) P-C4' energy: -78.983 flat angles C4'-P-C4' energy: -60.997 flat angles P-C4'-P energy: -47.438 tors. eta vs tors. theta energy: -19.761 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: 8 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -379.796646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.796646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.796646 (E_RNA) where: Base-Base interactions energy: -160.520 where: short stacking energy: -97.619 Base-Backbone interact. energy: -1.353 local terms energy: -217.923581 where: bonds (distance) C4'-P energy: -65.521 bonds (distance) P-C4' energy: -72.873 flat angles C4'-P-C4' energy: -68.881 flat angles P-C4'-P energy: -18.606 tors. eta vs tors. theta energy: 7.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1371.778988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.778988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.778988 (E_RNA) where: Base-Base interactions energy: -940.376 where: short stacking energy: -418.426 Base-Backbone interact. energy: -0.534 local terms energy: -430.869253 where: bonds (distance) C4'-P energy: -80.034 bonds (distance) P-C4' energy: -69.142 flat angles C4'-P-C4' energy: -93.708 flat angles P-C4'-P energy: -57.508 tors. eta vs tors. theta energy: -130.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1266.967276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.967276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.967276 (E_RNA) where: Base-Base interactions energy: -827.857 where: short stacking energy: -385.764 Base-Backbone interact. energy: -0.930 local terms energy: -438.179880 where: bonds (distance) C4'-P energy: -78.318 bonds (distance) P-C4' energy: -82.565 flat angles C4'-P-C4' energy: -90.785 flat angles P-C4'-P energy: -61.718 tors. eta vs tors. theta energy: -124.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1242.466275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.466275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.466275 (E_RNA) where: Base-Base interactions energy: -848.585 where: short stacking energy: -371.101 Base-Backbone interact. energy: 0.852 local terms energy: -394.733714 where: bonds (distance) C4'-P energy: -81.108 bonds (distance) P-C4' energy: -80.346 flat angles C4'-P-C4' energy: -83.737 flat angles P-C4'-P energy: -53.502 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: 4, replica: 9 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1139.435400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.435400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.435400 (E_RNA) where: Base-Base interactions energy: -770.582 where: short stacking energy: -369.180 Base-Backbone interact. energy: -1.099 local terms energy: -367.754338 where: bonds (distance) C4'-P energy: -71.429 bonds (distance) P-C4' energy: -67.122 flat angles C4'-P-C4' energy: -71.204 flat angles P-C4'-P energy: -50.313 tors. eta vs tors. theta energy: -107.686 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: 5, replica: 2 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1058.409050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.409050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.409050 (E_RNA) where: Base-Base interactions energy: -712.888 where: short stacking energy: -301.045 Base-Backbone interact. energy: -0.181 local terms energy: -345.339897 where: bonds (distance) C4'-P energy: -71.433 bonds (distance) P-C4' energy: -71.268 flat angles C4'-P-C4' energy: -76.001 flat angles P-C4'-P energy: -56.076 tors. eta vs tors. theta energy: -70.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -766.008920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.008920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.008920 (E_RNA) where: Base-Base interactions energy: -456.036 where: short stacking energy: -221.661 Base-Backbone interact. energy: -0.806 local terms energy: -309.167139 where: bonds (distance) C4'-P energy: -69.834 bonds (distance) P-C4' energy: -80.483 flat angles C4'-P-C4' energy: -71.068 flat angles P-C4'-P energy: -48.437 tors. eta vs tors. theta energy: -39.346 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: 1 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -706.223730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.223730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.223730 (E_RNA) where: Base-Base interactions energy: -438.596 where: short stacking energy: -195.525 Base-Backbone interact. energy: -0.133 local terms energy: -267.495244 where: bonds (distance) C4'-P energy: -73.816 bonds (distance) P-C4' energy: -63.606 flat angles C4'-P-C4' energy: -69.405 flat angles P-C4'-P energy: -32.393 tors. eta vs tors. theta energy: -28.276 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: 8, replica: 5 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -617.641488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.641488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.641488 (E_RNA) where: Base-Base interactions energy: -350.057 where: short stacking energy: -162.263 Base-Backbone interact. energy: -3.080 local terms energy: -264.503868 where: bonds (distance) C4'-P energy: -73.810 bonds (distance) P-C4' energy: -65.354 flat angles C4'-P-C4' energy: -67.150 flat angles P-C4'-P energy: -37.595 tors. eta vs tors. theta energy: -20.595 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: 6 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -608.528097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.528097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.528097 (E_RNA) where: Base-Base interactions energy: -339.714 where: short stacking energy: -171.900 Base-Backbone interact. energy: 1.450 local terms energy: -270.263428 where: bonds (distance) C4'-P energy: -66.144 bonds (distance) P-C4' energy: -77.431 flat angles C4'-P-C4' energy: -65.984 flat angles P-C4'-P energy: -39.580 tors. eta vs tors. theta energy: -21.124 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: 8 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -378.791913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.791913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.791913 (E_RNA) where: Base-Base interactions energy: -148.047 where: short stacking energy: -108.099 Base-Backbone interact. energy: -3.013 local terms energy: -227.731476 where: bonds (distance) C4'-P energy: -63.402 bonds (distance) P-C4' energy: -68.638 flat angles C4'-P-C4' energy: -58.215 flat angles P-C4'-P energy: -37.136 tors. eta vs tors. theta energy: -0.341 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: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1399.146557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.146557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.146557 (E_RNA) where: Base-Base interactions energy: -931.210 where: short stacking energy: -431.886 Base-Backbone interact. energy: -0.550 local terms energy: -467.386575 where: bonds (distance) C4'-P energy: -87.099 bonds (distance) P-C4' energy: -83.909 flat angles C4'-P-C4' energy: -100.592 flat angles P-C4'-P energy: -61.227 tors. eta vs tors. theta energy: -134.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1254.964490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.964490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.964490 (E_RNA) where: Base-Base interactions energy: -825.195 where: short stacking energy: -370.182 Base-Backbone interact. energy: -0.578 local terms energy: -429.191182 where: bonds (distance) C4'-P energy: -80.346 bonds (distance) P-C4' energy: -73.108 flat angles C4'-P-C4' energy: -88.380 flat angles P-C4'-P energy: -63.710 tors. eta vs tors. theta energy: -123.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1230.997810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.997810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.997810 (E_RNA) where: Base-Base interactions energy: -830.801 where: short stacking energy: -349.443 Base-Backbone interact. energy: -1.480 local terms energy: -398.717252 where: bonds (distance) C4'-P energy: -76.667 bonds (distance) P-C4' energy: -80.592 flat angles C4'-P-C4' energy: -82.857 flat angles P-C4'-P energy: -52.198 tors. eta vs tors. theta energy: -106.403 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: 9 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1177.224374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.224374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.224374 (E_RNA) where: Base-Base interactions energy: -774.985 where: short stacking energy: -361.928 Base-Backbone interact. energy: 0.433 local terms energy: -402.671799 where: bonds (distance) C4'-P energy: -73.515 bonds (distance) P-C4' energy: -73.020 flat angles C4'-P-C4' energy: -87.695 flat angles P-C4'-P energy: -60.051 tors. eta vs tors. theta energy: -108.390 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: 2 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1079.768598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.768598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.768598 (E_RNA) where: Base-Base interactions energy: -715.574 where: short stacking energy: -317.945 Base-Backbone interact. energy: -2.247 local terms energy: -361.947831 where: bonds (distance) C4'-P energy: -73.198 bonds (distance) P-C4' energy: -64.650 flat angles C4'-P-C4' energy: -82.181 flat angles P-C4'-P energy: -55.632 tors. eta vs tors. theta energy: -86.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -739.476770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.476770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.476770 (E_RNA) where: Base-Base interactions energy: -427.242 where: short stacking energy: -206.926 Base-Backbone interact. energy: 2.149 local terms energy: -314.384581 where: bonds (distance) C4'-P energy: -87.647 bonds (distance) P-C4' energy: -66.390 flat angles C4'-P-C4' energy: -67.896 flat angles P-C4'-P energy: -56.503 tors. eta vs tors. theta energy: -35.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -718.279639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.279639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.279639 (E_RNA) where: Base-Base interactions energy: -423.910 where: short stacking energy: -217.562 Base-Backbone interact. energy: 0.509 local terms energy: -294.878793 where: bonds (distance) C4'-P energy: -74.103 bonds (distance) P-C4' energy: -73.228 flat angles C4'-P-C4' energy: -70.403 flat angles P-C4'-P energy: -38.553 tors. eta vs tors. theta energy: -38.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -632.299073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.299073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.299073 (E_RNA) where: Base-Base interactions energy: -352.948 where: short stacking energy: -191.877 Base-Backbone interact. energy: -0.774 local terms energy: -278.577341 where: bonds (distance) C4'-P energy: -63.786 bonds (distance) P-C4' energy: -70.346 flat angles C4'-P-C4' energy: -68.644 flat angles P-C4'-P energy: -39.121 tors. eta vs tors. theta energy: -36.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -609.837894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.837894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.837894 (E_RNA) where: Base-Base interactions energy: -354.237 where: short stacking energy: -172.060 Base-Backbone interact. energy: 1.895 local terms energy: -257.495370 where: bonds (distance) C4'-P energy: -65.666 bonds (distance) P-C4' energy: -63.297 flat angles C4'-P-C4' energy: -51.606 flat angles P-C4'-P energy: -36.830 tors. eta vs tors. theta energy: -40.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -377.285677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.285677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.285677 (E_RNA) where: Base-Base interactions energy: -174.728 where: short stacking energy: -100.436 Base-Backbone interact. energy: -1.201 local terms energy: -201.356240 where: bonds (distance) C4'-P energy: -74.377 bonds (distance) P-C4' energy: -71.343 flat angles C4'-P-C4' energy: -47.703 flat angles P-C4'-P energy: -22.965 tors. eta vs tors. theta energy: 15.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1379.800299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.800299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.800299 (E_RNA) where: Base-Base interactions energy: -922.515 where: short stacking energy: -431.370 Base-Backbone interact. energy: -0.017 local terms energy: -457.268220 where: bonds (distance) C4'-P energy: -83.862 bonds (distance) P-C4' energy: -89.850 flat angles C4'-P-C4' energy: -87.278 flat angles P-C4'-P energy: -65.855 tors. eta vs tors. theta energy: -130.423 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: 2, replica: 4 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1256.661686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.661686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.661686 (E_RNA) where: Base-Base interactions energy: -845.345 where: short stacking energy: -389.294 Base-Backbone interact. energy: -2.000 local terms energy: -409.317139 where: bonds (distance) C4'-P energy: -69.006 bonds (distance) P-C4' energy: -73.358 flat angles C4'-P-C4' energy: -91.326 flat angles P-C4'-P energy: -59.089 tors. eta vs tors. theta energy: -116.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1252.867589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.867589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.867589 (E_RNA) where: Base-Base interactions energy: -854.829 where: short stacking energy: -375.033 Base-Backbone interact. energy: 0.751 local terms energy: -398.789796 where: bonds (distance) C4'-P energy: -67.976 bonds (distance) P-C4' energy: -82.850 flat angles C4'-P-C4' energy: -90.812 flat angles P-C4'-P energy: -48.547 tors. eta vs tors. theta energy: -108.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1187.546896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.546896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.546896 (E_RNA) where: Base-Base interactions energy: -798.066 where: short stacking energy: -374.161 Base-Backbone interact. energy: -0.951 local terms energy: -388.529423 where: bonds (distance) C4'-P energy: -63.411 bonds (distance) P-C4' energy: -65.896 flat angles C4'-P-C4' energy: -83.078 flat angles P-C4'-P energy: -67.617 tors. eta vs tors. theta energy: -108.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1064.225906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.225906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.225906 (E_RNA) where: Base-Base interactions energy: -725.926 where: short stacking energy: -320.327 Base-Backbone interact. energy: -2.214 local terms energy: -336.085479 where: bonds (distance) C4'-P energy: -61.712 bonds (distance) P-C4' energy: -79.485 flat angles C4'-P-C4' energy: -68.004 flat angles P-C4'-P energy: -48.706 tors. eta vs tors. theta energy: -78.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -798.031038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.031038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.031038 (E_RNA) where: Base-Base interactions energy: -492.574 where: short stacking energy: -254.611 Base-Backbone interact. energy: -0.859 local terms energy: -304.597730 where: bonds (distance) C4'-P energy: -68.859 bonds (distance) P-C4' energy: -60.265 flat angles C4'-P-C4' energy: -73.769 flat angles P-C4'-P energy: -49.606 tors. eta vs tors. theta energy: -52.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -681.391133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.391133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.391133 (E_RNA) where: Base-Base interactions energy: -401.768 where: short stacking energy: -211.128 Base-Backbone interact. energy: 0.993 local terms energy: -280.615503 where: bonds (distance) C4'-P energy: -75.926 bonds (distance) P-C4' energy: -74.987 flat angles C4'-P-C4' energy: -57.452 flat angles P-C4'-P energy: -37.974 tors. eta vs tors. theta energy: -34.276 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: 8, replica: 3 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -651.189602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.189602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.189602 (E_RNA) where: Base-Base interactions energy: -376.319 where: short stacking energy: -173.137 Base-Backbone interact. energy: 1.331 local terms energy: -276.200997 where: bonds (distance) C4'-P energy: -59.456 bonds (distance) P-C4' energy: -72.197 flat angles C4'-P-C4' energy: -66.227 flat angles P-C4'-P energy: -43.135 tors. eta vs tors. theta energy: -35.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -595.172628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.172628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.172628 (E_RNA) where: Base-Base interactions energy: -337.837 where: short stacking energy: -149.401 Base-Backbone interact. energy: 2.489 local terms energy: -259.824248 where: bonds (distance) C4'-P energy: -57.137 bonds (distance) P-C4' energy: -71.829 flat angles C4'-P-C4' energy: -73.157 flat angles P-C4'-P energy: -39.656 tors. eta vs tors. theta energy: -18.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -357.056054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.056054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.056054 (E_RNA) where: Base-Base interactions energy: -143.200 where: short stacking energy: -97.550 Base-Backbone interact. energy: -3.354 local terms energy: -210.501994 where: bonds (distance) C4'-P energy: -54.230 bonds (distance) P-C4' energy: -70.572 flat angles C4'-P-C4' energy: -55.088 flat angles P-C4'-P energy: -39.273 tors. eta vs tors. theta energy: 8.661 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: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1365.489916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.489916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.489916 (E_RNA) where: Base-Base interactions energy: -927.589 where: short stacking energy: -416.770 Base-Backbone interact. energy: 1.382 local terms energy: -439.282865 where: bonds (distance) C4'-P energy: -79.833 bonds (distance) P-C4' energy: -73.051 flat angles C4'-P-C4' energy: -89.027 flat angles P-C4'-P energy: -68.271 tors. eta vs tors. theta energy: -129.101 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: 2, replica: 4 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1239.259557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.259557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.259557 (E_RNA) where: Base-Base interactions energy: -842.505 where: short stacking energy: -376.980 Base-Backbone interact. energy: 0.428 local terms energy: -397.182073 where: bonds (distance) C4'-P energy: -73.631 bonds (distance) P-C4' energy: -73.517 flat angles C4'-P-C4' energy: -74.854 flat angles P-C4'-P energy: -57.351 tors. eta vs tors. theta energy: -117.829 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: 3, replica: 7 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1226.887293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.887293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.887293 (E_RNA) where: Base-Base interactions energy: -840.077 where: short stacking energy: -361.701 Base-Backbone interact. energy: -1.440 local terms energy: -385.370041 where: bonds (distance) C4'-P energy: -68.233 bonds (distance) P-C4' energy: -74.644 flat angles C4'-P-C4' energy: -87.449 flat angles P-C4'-P energy: -49.546 tors. eta vs tors. theta energy: -105.498 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: 4, replica: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1157.271174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.271174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.271174 (E_RNA) where: Base-Base interactions energy: -775.526 where: short stacking energy: -340.252 Base-Backbone interact. energy: -0.828 local terms energy: -380.917449 where: bonds (distance) C4'-P energy: -70.997 bonds (distance) P-C4' energy: -73.007 flat angles C4'-P-C4' energy: -87.720 flat angles P-C4'-P energy: -56.829 tors. eta vs tors. theta energy: -92.364 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: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1031.008794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.008794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.008794 (E_RNA) where: Base-Base interactions energy: -693.384 where: short stacking energy: -280.023 Base-Backbone interact. energy: 0.489 local terms energy: -338.114013 where: bonds (distance) C4'-P energy: -66.879 bonds (distance) P-C4' energy: -79.125 flat angles C4'-P-C4' energy: -78.027 flat angles P-C4'-P energy: -47.883 tors. eta vs tors. theta energy: -66.200 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: 1 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -788.384312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.384312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.384312 (E_RNA) where: Base-Base interactions energy: -501.654 where: short stacking energy: -243.353 Base-Backbone interact. energy: -1.093 local terms energy: -285.637502 where: bonds (distance) C4'-P energy: -56.362 bonds (distance) P-C4' energy: -74.376 flat angles C4'-P-C4' energy: -72.130 flat angles P-C4'-P energy: -32.631 tors. eta vs tors. theta energy: -50.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -656.519555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.519555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.519555 (E_RNA) where: Base-Base interactions energy: -368.321 where: short stacking energy: -188.347 Base-Backbone interact. energy: -0.065 local terms energy: -288.133684 where: bonds (distance) C4'-P energy: -66.159 bonds (distance) P-C4' energy: -70.911 flat angles C4'-P-C4' energy: -73.112 flat angles P-C4'-P energy: -39.904 tors. eta vs tors. theta energy: -38.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -669.663891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.663891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.663891 (E_RNA) where: Base-Base interactions energy: -383.564 where: short stacking energy: -199.908 Base-Backbone interact. energy: -0.505 local terms energy: -285.595129 where: bonds (distance) C4'-P energy: -60.683 bonds (distance) P-C4' energy: -57.646 flat angles C4'-P-C4' energy: -74.072 flat angles P-C4'-P energy: -52.919 tors. eta vs tors. theta energy: -40.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -620.304703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.304703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.304703 (E_RNA) where: Base-Base interactions energy: -381.856 where: short stacking energy: -163.538 Base-Backbone interact. energy: 4.726 local terms energy: -243.175257 where: bonds (distance) C4'-P energy: -72.119 bonds (distance) P-C4' energy: -66.422 flat angles C4'-P-C4' energy: -59.791 flat angles P-C4'-P energy: -34.257 tors. eta vs tors. theta energy: -10.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -362.064751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.064751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.064751 (E_RNA) where: Base-Base interactions energy: -152.637 where: short stacking energy: -92.709 Base-Backbone interact. energy: 3.678 local terms energy: -213.104946 where: bonds (distance) C4'-P energy: -54.704 bonds (distance) P-C4' energy: -68.706 flat angles C4'-P-C4' energy: -57.809 flat angles P-C4'-P energy: -37.610 tors. eta vs tors. theta energy: 5.723 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: 10 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1404.773456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.773456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.773456 (E_RNA) where: Base-Base interactions energy: -945.625 where: short stacking energy: -431.581 Base-Backbone interact. energy: -0.241 local terms energy: -458.907454 where: bonds (distance) C4'-P energy: -84.937 bonds (distance) P-C4' energy: -76.129 flat angles C4'-P-C4' energy: -94.864 flat angles P-C4'-P energy: -73.155 tors. eta vs tors. theta energy: -129.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1253.662431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.662431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.662431 (E_RNA) where: Base-Base interactions energy: -837.160 where: short stacking energy: -388.212 Base-Backbone interact. energy: 0.639 local terms energy: -417.141079 where: bonds (distance) C4'-P energy: -75.527 bonds (distance) P-C4' energy: -79.465 flat angles C4'-P-C4' energy: -91.729 flat angles P-C4'-P energy: -56.737 tors. eta vs tors. theta energy: -113.683 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: 7 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1246.924353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.924353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.924353 (E_RNA) where: Base-Base interactions energy: -833.983 where: short stacking energy: -363.784 Base-Backbone interact. energy: -0.210 local terms energy: -412.731461 where: bonds (distance) C4'-P energy: -76.120 bonds (distance) P-C4' energy: -77.376 flat angles C4'-P-C4' energy: -91.494 flat angles P-C4'-P energy: -50.972 tors. eta vs tors. theta energy: -116.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1168.617824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.617824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.617824 (E_RNA) where: Base-Base interactions energy: -767.795 where: short stacking energy: -343.092 Base-Backbone interact. energy: -1.539 local terms energy: -399.283504 where: bonds (distance) C4'-P energy: -73.793 bonds (distance) P-C4' energy: -78.963 flat angles C4'-P-C4' energy: -90.168 flat angles P-C4'-P energy: -60.509 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: 5, replica: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1061.006174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.006174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.006174 (E_RNA) where: Base-Base interactions energy: -707.676 where: short stacking energy: -301.894 Base-Backbone interact. energy: 1.775 local terms energy: -355.104620 where: bonds (distance) C4'-P energy: -65.302 bonds (distance) P-C4' energy: -75.478 flat angles C4'-P-C4' energy: -77.658 flat angles P-C4'-P energy: -57.853 tors. eta vs tors. theta energy: -78.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -795.066769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.066769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.066769 (E_RNA) where: Base-Base interactions energy: -486.996 where: short stacking energy: -236.582 Base-Backbone interact. energy: -1.327 local terms energy: -306.743527 where: bonds (distance) C4'-P energy: -56.075 bonds (distance) P-C4' energy: -83.030 flat angles C4'-P-C4' energy: -71.771 flat angles P-C4'-P energy: -53.267 tors. eta vs tors. theta energy: -42.600 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: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -695.561499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.561499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.561499 (E_RNA) where: Base-Base interactions energy: -388.273 where: short stacking energy: -222.648 Base-Backbone interact. energy: -1.301 local terms energy: -305.986852 where: bonds (distance) C4'-P energy: -77.879 bonds (distance) P-C4' energy: -76.335 flat angles C4'-P-C4' energy: -54.325 flat angles P-C4'-P energy: -43.428 tors. eta vs tors. theta energy: -54.020 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: 6 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -613.827465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.827465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.827465 (E_RNA) where: Base-Base interactions energy: -345.148 where: short stacking energy: -169.160 Base-Backbone interact. energy: 0.207 local terms energy: -268.886173 where: bonds (distance) C4'-P energy: -63.261 bonds (distance) P-C4' energy: -63.232 flat angles C4'-P-C4' energy: -75.744 flat angles P-C4'-P energy: -36.765 tors. eta vs tors. theta energy: -29.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -533.131040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.131040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.131040 (E_RNA) where: Base-Base interactions energy: -277.261 where: short stacking energy: -154.482 Base-Backbone interact. energy: 1.290 local terms energy: -257.159990 where: bonds (distance) C4'-P energy: -64.836 bonds (distance) P-C4' energy: -74.257 flat angles C4'-P-C4' energy: -55.594 flat angles P-C4'-P energy: -39.005 tors. eta vs tors. theta energy: -23.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -386.711296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.711296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.711296 (E_RNA) where: Base-Base interactions energy: -161.515 where: short stacking energy: -100.942 Base-Backbone interact. energy: -0.051 local terms energy: -225.145345 where: bonds (distance) C4'-P energy: -71.194 bonds (distance) P-C4' energy: -62.361 flat angles C4'-P-C4' energy: -51.529 flat angles P-C4'-P energy: -37.101 tors. eta vs tors. theta energy: -2.960 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: 10 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1361.230004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.230004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.230004 (E_RNA) where: Base-Base interactions energy: -915.919 where: short stacking energy: -403.153 Base-Backbone interact. energy: -1.114 local terms energy: -444.197335 where: bonds (distance) C4'-P energy: -81.168 bonds (distance) P-C4' energy: -79.619 flat angles C4'-P-C4' energy: -92.323 flat angles P-C4'-P energy: -62.426 tors. eta vs tors. theta energy: -128.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1279.449608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.449608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.449608 (E_RNA) where: Base-Base interactions energy: -864.894 where: short stacking energy: -358.943 Base-Backbone interact. energy: -0.663 local terms energy: -413.892499 where: bonds (distance) C4'-P energy: -82.153 bonds (distance) P-C4' energy: -81.625 flat angles C4'-P-C4' energy: -82.312 flat angles P-C4'-P energy: -64.459 tors. eta vs tors. theta energy: -103.343 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: 4 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1193.199908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.199908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.199908 (E_RNA) where: Base-Base interactions energy: -781.189 where: short stacking energy: -358.085 Base-Backbone interact. energy: -1.114 local terms energy: -410.896348 where: bonds (distance) C4'-P energy: -79.848 bonds (distance) P-C4' energy: -76.137 flat angles C4'-P-C4' energy: -79.127 flat angles P-C4'-P energy: -67.578 tors. eta vs tors. theta energy: -108.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1177.306827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.306827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.306827 (E_RNA) where: Base-Base interactions energy: -787.596 where: short stacking energy: -359.462 Base-Backbone interact. energy: 2.069 local terms energy: -391.779483 where: bonds (distance) C4'-P energy: -56.257 bonds (distance) P-C4' energy: -83.916 flat angles C4'-P-C4' energy: -85.069 flat angles P-C4'-P energy: -61.609 tors. eta vs tors. theta energy: -104.928 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: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1053.420934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.420934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.420934 (E_RNA) where: Base-Base interactions energy: -697.227 where: short stacking energy: -295.534 Base-Backbone interact. energy: -2.415 local terms energy: -353.778364 where: bonds (distance) C4'-P energy: -68.018 bonds (distance) P-C4' energy: -72.737 flat angles C4'-P-C4' energy: -78.055 flat angles P-C4'-P energy: -55.724 tors. eta vs tors. theta energy: -79.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -756.821497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.821497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.821497 (E_RNA) where: Base-Base interactions energy: -464.734 where: short stacking energy: -219.760 Base-Backbone interact. energy: -2.185 local terms energy: -289.902565 where: bonds (distance) C4'-P energy: -65.820 bonds (distance) P-C4' energy: -65.332 flat angles C4'-P-C4' energy: -77.528 flat angles P-C4'-P energy: -45.742 tors. eta vs tors. theta energy: -35.481 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: 5 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -680.550751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.550751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.550751 (E_RNA) where: Base-Base interactions energy: -394.002 where: short stacking energy: -204.916 Base-Backbone interact. energy: -2.823 local terms energy: -283.726487 where: bonds (distance) C4'-P energy: -64.477 bonds (distance) P-C4' energy: -76.469 flat angles C4'-P-C4' energy: -69.925 flat angles P-C4'-P energy: -38.501 tors. eta vs tors. theta energy: -34.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -667.661405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.661405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.661405 (E_RNA) where: Base-Base interactions energy: -397.247 where: short stacking energy: -201.159 Base-Backbone interact. energy: 1.688 local terms energy: -272.102607 where: bonds (distance) C4'-P energy: -55.371 bonds (distance) P-C4' energy: -74.363 flat angles C4'-P-C4' energy: -67.539 flat angles P-C4'-P energy: -40.981 tors. eta vs tors. theta energy: -33.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -566.852621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.852621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.852621 (E_RNA) where: Base-Base interactions energy: -310.214 where: short stacking energy: -174.398 Base-Backbone interact. energy: 0.378 local terms energy: -257.016855 where: bonds (distance) C4'-P energy: -63.360 bonds (distance) P-C4' energy: -70.279 flat angles C4'-P-C4' energy: -65.949 flat angles P-C4'-P energy: -43.759 tors. eta vs tors. theta energy: -13.670 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: 8 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -334.168547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.168547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.168547 (E_RNA) where: Base-Base interactions energy: -138.646 where: short stacking energy: -90.360 Base-Backbone interact. energy: -0.468 local terms energy: -195.055100 where: bonds (distance) C4'-P energy: -72.923 bonds (distance) P-C4' energy: -67.264 flat angles C4'-P-C4' energy: -43.813 flat angles P-C4'-P energy: -28.246 tors. eta vs tors. theta energy: 17.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1351.971122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.971122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.971122 (E_RNA) where: Base-Base interactions energy: -919.616 where: short stacking energy: -408.807 Base-Backbone interact. energy: -0.512 local terms energy: -431.843165 where: bonds (distance) C4'-P energy: -77.321 bonds (distance) P-C4' energy: -80.919 flat angles C4'-P-C4' energy: -87.085 flat angles P-C4'-P energy: -61.212 tors. eta vs tors. theta energy: -125.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1293.351980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.351980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.351980 (E_RNA) where: Base-Base interactions energy: -878.166 where: short stacking energy: -377.256 Base-Backbone interact. energy: -0.854 local terms energy: -414.331579 where: bonds (distance) C4'-P energy: -83.767 bonds (distance) P-C4' energy: -71.555 flat angles C4'-P-C4' energy: -92.130 flat angles P-C4'-P energy: -59.447 tors. eta vs tors. theta energy: -107.432 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: 4 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1204.102079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.102079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.102079 (E_RNA) where: Base-Base interactions energy: -785.291 where: short stacking energy: -366.370 Base-Backbone interact. energy: -1.875 local terms energy: -416.936625 where: bonds (distance) C4'-P energy: -72.833 bonds (distance) P-C4' energy: -73.882 flat angles C4'-P-C4' energy: -96.401 flat angles P-C4'-P energy: -60.518 tors. eta vs tors. theta energy: -113.303 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: 9 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1215.748416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.748416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.748416 (E_RNA) where: Base-Base interactions energy: -814.400 where: short stacking energy: -362.986 Base-Backbone interact. energy: -0.881 local terms energy: -400.467369 where: bonds (distance) C4'-P energy: -78.920 bonds (distance) P-C4' energy: -77.857 flat angles C4'-P-C4' energy: -80.552 flat angles P-C4'-P energy: -55.420 tors. eta vs tors. theta energy: -107.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1039.568400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.568400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.568400 (E_RNA) where: Base-Base interactions energy: -695.168 where: short stacking energy: -314.931 Base-Backbone interact. energy: -0.207 local terms energy: -344.194138 where: bonds (distance) C4'-P energy: -69.368 bonds (distance) P-C4' energy: -73.588 flat angles C4'-P-C4' energy: -77.008 flat angles P-C4'-P energy: -39.182 tors. eta vs tors. theta energy: -85.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -809.250080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.250080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.250080 (E_RNA) where: Base-Base interactions energy: -496.778 where: short stacking energy: -225.309 Base-Backbone interact. energy: -1.299 local terms energy: -311.172909 where: bonds (distance) C4'-P energy: -77.992 bonds (distance) P-C4' energy: -69.487 flat angles C4'-P-C4' energy: -73.947 flat angles P-C4'-P energy: -42.514 tors. eta vs tors. theta energy: -47.232 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: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -687.782694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.782694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.782694 (E_RNA) where: Base-Base interactions energy: -394.902 where: short stacking energy: -194.098 Base-Backbone interact. energy: -2.584 local terms energy: -290.296249 where: bonds (distance) C4'-P energy: -69.014 bonds (distance) P-C4' energy: -77.979 flat angles C4'-P-C4' energy: -74.746 flat angles P-C4'-P energy: -43.305 tors. eta vs tors. theta energy: -25.252 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: 8, replica: 5 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -634.652798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.652798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.652798 (E_RNA) where: Base-Base interactions energy: -359.940 where: short stacking energy: -174.486 Base-Backbone interact. energy: -1.585 local terms energy: -273.127398 where: bonds (distance) C4'-P energy: -69.869 bonds (distance) P-C4' energy: -77.495 flat angles C4'-P-C4' energy: -68.165 flat angles P-C4'-P energy: -31.574 tors. eta vs tors. theta energy: -26.024 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: 9, replica: 3 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -544.320206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.320206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.320206 (E_RNA) where: Base-Base interactions energy: -289.271 where: short stacking energy: -149.104 Base-Backbone interact. energy: -2.082 local terms energy: -252.967041 where: bonds (distance) C4'-P energy: -69.725 bonds (distance) P-C4' energy: -69.675 flat angles C4'-P-C4' energy: -65.730 flat angles P-C4'-P energy: -27.535 tors. eta vs tors. theta energy: -20.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -357.370554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.370554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.370554 (E_RNA) where: Base-Base interactions energy: -146.897 where: short stacking energy: -104.225 Base-Backbone interact. energy: 0.242 local terms energy: -210.715573 where: bonds (distance) C4'-P energy: -69.961 bonds (distance) P-C4' energy: -71.238 flat angles C4'-P-C4' energy: -54.488 flat angles P-C4'-P energy: -31.682 tors. eta vs tors. theta energy: 16.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1373.368138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.368138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.368138 (E_RNA) where: Base-Base interactions energy: -929.264 where: short stacking energy: -421.332 Base-Backbone interact. energy: -0.455 local terms energy: -443.649345 where: bonds (distance) C4'-P energy: -76.456 bonds (distance) P-C4' energy: -82.828 flat angles C4'-P-C4' energy: -88.725 flat angles P-C4'-P energy: -69.376 tors. eta vs tors. theta energy: -126.264 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: 2, replica: 7 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1282.547627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.547627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.547627 (E_RNA) where: Base-Base interactions energy: -877.921 where: short stacking energy: -379.888 Base-Backbone interact. energy: 0.309 local terms energy: -404.935510 where: bonds (distance) C4'-P energy: -73.268 bonds (distance) P-C4' energy: -81.247 flat angles C4'-P-C4' energy: -78.938 flat angles P-C4'-P energy: -62.718 tors. eta vs tors. theta energy: -108.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1217.238283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.238283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.238283 (E_RNA) where: Base-Base interactions energy: -811.549 where: short stacking energy: -361.803 Base-Backbone interact. energy: 0.610 local terms energy: -406.300141 where: bonds (distance) C4'-P energy: -73.482 bonds (distance) P-C4' energy: -70.708 flat angles C4'-P-C4' energy: -92.701 flat angles P-C4'-P energy: -46.642 tors. eta vs tors. theta energy: -122.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1207.746686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.746686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.746686 (E_RNA) where: Base-Base interactions energy: -807.024 where: short stacking energy: -376.929 Base-Backbone interact. energy: -0.323 local terms energy: -400.400130 where: bonds (distance) C4'-P energy: -67.449 bonds (distance) P-C4' energy: -66.599 flat angles C4'-P-C4' energy: -81.429 flat angles P-C4'-P energy: -63.342 tors. eta vs tors. theta energy: -121.582 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: 383 Temperature: 1.100000 Total energy: -1063.287927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.287927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.287927 (E_RNA) where: Base-Base interactions energy: -702.360 where: short stacking energy: -320.484 Base-Backbone interact. energy: -2.018 local terms energy: -358.909794 where: bonds (distance) C4'-P energy: -57.146 bonds (distance) P-C4' energy: -71.232 flat angles C4'-P-C4' energy: -86.857 flat angles P-C4'-P energy: -57.088 tors. eta vs tors. theta energy: -86.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -799.701159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.701159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.701159 (E_RNA) where: Base-Base interactions energy: -518.041 where: short stacking energy: -235.627 Base-Backbone interact. energy: 1.385 local terms energy: -283.044780 where: bonds (distance) C4'-P energy: -70.222 bonds (distance) P-C4' energy: -56.956 flat angles C4'-P-C4' energy: -70.484 flat angles P-C4'-P energy: -33.802 tors. eta vs tors. theta energy: -51.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -645.661183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.661183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.661183 (E_RNA) where: Base-Base interactions energy: -363.237 where: short stacking energy: -173.669 Base-Backbone interact. energy: -3.516 local terms energy: -278.907876 where: bonds (distance) C4'-P energy: -65.303 bonds (distance) P-C4' energy: -70.211 flat angles C4'-P-C4' energy: -74.110 flat angles P-C4'-P energy: -48.757 tors. eta vs tors. theta energy: -20.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -616.496120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.496120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.496120 (E_RNA) where: Base-Base interactions energy: -341.259 where: short stacking energy: -172.603 Base-Backbone interact. energy: -1.684 local terms energy: -273.553149 where: bonds (distance) C4'-P energy: -77.182 bonds (distance) P-C4' energy: -73.645 flat angles C4'-P-C4' energy: -59.461 flat angles P-C4'-P energy: -42.903 tors. eta vs tors. theta energy: -20.362 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: 3 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -539.953342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.953342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.953342 (E_RNA) where: Base-Base interactions energy: -294.429 where: short stacking energy: -149.030 Base-Backbone interact. energy: -0.689 local terms energy: -244.835730 where: bonds (distance) C4'-P energy: -69.500 bonds (distance) P-C4' energy: -66.179 flat angles C4'-P-C4' energy: -63.736 flat angles P-C4'-P energy: -24.558 tors. eta vs tors. theta energy: -20.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -348.967129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.967129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.967129 (E_RNA) where: Base-Base interactions energy: -132.792 where: short stacking energy: -104.595 Base-Backbone interact. energy: 0.526 local terms energy: -216.700912 where: bonds (distance) C4'-P energy: -72.979 bonds (distance) P-C4' energy: -68.738 flat angles C4'-P-C4' energy: -54.492 flat angles P-C4'-P energy: -32.926 tors. eta vs tors. theta energy: 12.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1367.768378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.768378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.768378 (E_RNA) where: Base-Base interactions energy: -928.034 where: short stacking energy: -415.034 Base-Backbone interact. energy: -1.567 local terms energy: -438.168174 where: bonds (distance) C4'-P energy: -84.888 bonds (distance) P-C4' energy: -75.189 flat angles C4'-P-C4' energy: -86.873 flat angles P-C4'-P energy: -66.644 tors. eta vs tors. theta energy: -124.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1300.695674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.695674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.695674 (E_RNA) where: Base-Base interactions energy: -877.676 where: short stacking energy: -387.633 Base-Backbone interact. energy: 0.809 local terms energy: -423.828031 where: bonds (distance) C4'-P energy: -82.548 bonds (distance) P-C4' energy: -78.637 flat angles C4'-P-C4' energy: -85.370 flat angles P-C4'-P energy: -65.484 tors. eta vs tors. theta energy: -111.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1225.464074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.464074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.464074 (E_RNA) where: Base-Base interactions energy: -790.308 where: short stacking energy: -374.389 Base-Backbone interact. energy: -1.244 local terms energy: -433.911636 where: bonds (distance) C4'-P energy: -91.269 bonds (distance) P-C4' energy: -82.450 flat angles C4'-P-C4' energy: -85.168 flat angles P-C4'-P energy: -61.649 tors. eta vs tors. theta energy: -113.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1172.714948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.714948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.714948 (E_RNA) where: Base-Base interactions energy: -776.757 where: short stacking energy: -363.840 Base-Backbone interact. energy: -0.484 local terms energy: -395.474356 where: bonds (distance) C4'-P energy: -78.736 bonds (distance) P-C4' energy: -66.962 flat angles C4'-P-C4' energy: -84.025 flat angles P-C4'-P energy: -57.095 tors. eta vs tors. theta energy: -108.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1067.836178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.836178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.836178 (E_RNA) where: Base-Base interactions energy: -714.475 where: short stacking energy: -314.437 Base-Backbone interact. energy: 1.082 local terms energy: -354.443508 where: bonds (distance) C4'-P energy: -77.224 bonds (distance) P-C4' energy: -67.994 flat angles C4'-P-C4' energy: -78.265 flat angles P-C4'-P energy: -49.985 tors. eta vs tors. theta energy: -80.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -799.193206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.193206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.193206 (E_RNA) where: Base-Base interactions energy: -501.004 where: short stacking energy: -258.391 Base-Backbone interact. energy: -1.426 local terms energy: -296.763395 where: bonds (distance) C4'-P energy: -61.182 bonds (distance) P-C4' energy: -62.952 flat angles C4'-P-C4' energy: -75.888 flat angles P-C4'-P energy: -41.403 tors. eta vs tors. theta energy: -55.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -672.824192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.824192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.824192 (E_RNA) where: Base-Base interactions energy: -373.371 where: short stacking energy: -213.563 Base-Backbone interact. energy: -0.586 local terms energy: -298.867208 where: bonds (distance) C4'-P energy: -72.452 bonds (distance) P-C4' energy: -61.707 flat angles C4'-P-C4' energy: -64.695 flat angles P-C4'-P energy: -57.545 tors. eta vs tors. theta energy: -42.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -629.344389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.344389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.344389 (E_RNA) where: Base-Base interactions energy: -369.291 where: short stacking energy: -189.405 Base-Backbone interact. energy: 1.030 local terms energy: -261.082927 where: bonds (distance) C4'-P energy: -65.334 bonds (distance) P-C4' energy: -75.199 flat angles C4'-P-C4' energy: -68.604 flat angles P-C4'-P energy: -31.910 tors. eta vs tors. theta energy: -20.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -618.279777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.279777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.279777 (E_RNA) where: Base-Base interactions energy: -354.211 where: short stacking energy: -182.857 Base-Backbone interact. energy: -0.211 local terms energy: -263.856992 where: bonds (distance) C4'-P energy: -66.481 bonds (distance) P-C4' energy: -69.736 flat angles C4'-P-C4' energy: -59.422 flat angles P-C4'-P energy: -33.335 tors. eta vs tors. theta energy: -34.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -325.252077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.252077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.252077 (E_RNA) where: Base-Base interactions energy: -123.740 where: short stacking energy: -96.943 Base-Backbone interact. energy: -1.568 local terms energy: -199.944210 where: bonds (distance) C4'-P energy: -60.650 bonds (distance) P-C4' energy: -65.725 flat angles C4'-P-C4' energy: -46.494 flat angles P-C4'-P energy: -33.482 tors. eta vs tors. theta energy: 6.407 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: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1358.376465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.376465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.376465 (E_RNA) where: Base-Base interactions energy: -925.983 where: short stacking energy: -415.825 Base-Backbone interact. energy: 0.206 local terms energy: -432.599642 where: bonds (distance) C4'-P energy: -74.410 bonds (distance) P-C4' energy: -73.809 flat angles C4'-P-C4' energy: -95.955 flat angles P-C4'-P energy: -59.699 tors. eta vs tors. theta energy: -128.726 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: 7 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1285.710637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.710637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.710637 (E_RNA) where: Base-Base interactions energy: -862.078 where: short stacking energy: -380.668 Base-Backbone interact. energy: -2.684 local terms energy: -420.949282 where: bonds (distance) C4'-P energy: -81.616 bonds (distance) P-C4' energy: -75.978 flat angles C4'-P-C4' energy: -90.939 flat angles P-C4'-P energy: -60.939 tors. eta vs tors. theta energy: -111.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1209.183030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.183030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.183030 (E_RNA) where: Base-Base interactions energy: -813.072 where: short stacking energy: -378.415 Base-Backbone interact. energy: -0.722 local terms energy: -395.389129 where: bonds (distance) C4'-P energy: -67.524 bonds (distance) P-C4' energy: -69.285 flat angles C4'-P-C4' energy: -92.187 flat angles P-C4'-P energy: -53.448 tors. eta vs tors. theta energy: -112.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1179.338928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.338928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.338928 (E_RNA) where: Base-Base interactions energy: -797.750 where: short stacking energy: -372.077 Base-Backbone interact. energy: -1.032 local terms energy: -380.557034 where: bonds (distance) C4'-P energy: -67.215 bonds (distance) P-C4' energy: -68.794 flat angles C4'-P-C4' energy: -79.781 flat angles P-C4'-P energy: -59.734 tors. eta vs tors. theta energy: -105.033 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: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1058.419567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.419567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.419567 (E_RNA) where: Base-Base interactions energy: -701.651 where: short stacking energy: -316.049 Base-Backbone interact. energy: -0.373 local terms energy: -356.395668 where: bonds (distance) C4'-P energy: -64.691 bonds (distance) P-C4' energy: -71.200 flat angles C4'-P-C4' energy: -85.904 flat angles P-C4'-P energy: -56.883 tors. eta vs tors. theta energy: -77.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -820.847971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.847971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.847971 (E_RNA) where: Base-Base interactions energy: -494.214 where: short stacking energy: -246.518 Base-Backbone interact. energy: -0.203 local terms energy: -326.430628 where: bonds (distance) C4'-P energy: -74.291 bonds (distance) P-C4' energy: -78.201 flat angles C4'-P-C4' energy: -58.092 flat angles P-C4'-P energy: -52.182 tors. eta vs tors. theta energy: -63.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -672.774087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.774087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.774087 (E_RNA) where: Base-Base interactions energy: -415.751 where: short stacking energy: -215.582 Base-Backbone interact. energy: 2.289 local terms energy: -259.312598 where: bonds (distance) C4'-P energy: -61.012 bonds (distance) P-C4' energy: -62.895 flat angles C4'-P-C4' energy: -52.736 flat angles P-C4'-P energy: -47.814 tors. eta vs tors. theta energy: -34.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -616.101925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.101925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.101925 (E_RNA) where: Base-Base interactions energy: -349.253 where: short stacking energy: -186.256 Base-Backbone interact. energy: 1.035 local terms energy: -267.883653 where: bonds (distance) C4'-P energy: -69.436 bonds (distance) P-C4' energy: -57.892 flat angles C4'-P-C4' energy: -53.484 flat angles P-C4'-P energy: -53.815 tors. eta vs tors. theta energy: -33.257 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: 3 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -564.708989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.708989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.708989 (E_RNA) where: Base-Base interactions energy: -334.815 where: short stacking energy: -165.124 Base-Backbone interact. energy: -0.304 local terms energy: -229.589631 where: bonds (distance) C4'-P energy: -64.907 bonds (distance) P-C4' energy: -62.916 flat angles C4'-P-C4' energy: -58.123 flat angles P-C4'-P energy: -28.913 tors. eta vs tors. theta energy: -14.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -338.592343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.592343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.592343 (E_RNA) where: Base-Base interactions energy: -112.470 where: short stacking energy: -98.119 Base-Backbone interact. energy: 1.347 local terms energy: -227.469539 where: bonds (distance) C4'-P energy: -73.041 bonds (distance) P-C4' energy: -63.413 flat angles C4'-P-C4' energy: -56.537 flat angles P-C4'-P energy: -41.240 tors. eta vs tors. theta energy: 6.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1348.522799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.522799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.522799 (E_RNA) where: Base-Base interactions energy: -901.081 where: short stacking energy: -427.430 Base-Backbone interact. energy: -1.226 local terms energy: -446.215974 where: bonds (distance) C4'-P energy: -71.956 bonds (distance) P-C4' energy: -95.191 flat angles C4'-P-C4' energy: -95.029 flat angles P-C4'-P energy: -56.565 tors. eta vs tors. theta energy: -127.474 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: 7 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1281.387374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.387374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.387374 (E_RNA) where: Base-Base interactions energy: -846.640 where: short stacking energy: -353.980 Base-Backbone interact. energy: -3.455 local terms energy: -431.292526 where: bonds (distance) C4'-P energy: -91.943 bonds (distance) P-C4' energy: -88.148 flat angles C4'-P-C4' energy: -89.556 flat angles P-C4'-P energy: -53.412 tors. eta vs tors. theta energy: -108.233 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: 3, replica: 9 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1197.599657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.599657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.599657 (E_RNA) where: Base-Base interactions energy: -779.731 where: short stacking energy: -377.922 Base-Backbone interact. energy: -0.146 local terms energy: -417.722582 where: bonds (distance) C4'-P energy: -80.131 bonds (distance) P-C4' energy: -87.429 flat angles C4'-P-C4' energy: -88.398 flat angles P-C4'-P energy: -42.741 tors. eta vs tors. theta energy: -119.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1174.933770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.933770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.933770 (E_RNA) where: Base-Base interactions energy: -788.322 where: short stacking energy: -347.739 Base-Backbone interact. energy: -1.128 local terms energy: -385.483813 where: bonds (distance) C4'-P energy: -67.789 bonds (distance) P-C4' energy: -63.260 flat angles C4'-P-C4' energy: -89.730 flat angles P-C4'-P energy: -58.100 tors. eta vs tors. theta energy: -106.605 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: 5, replica: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1030.817905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.817905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.817905 (E_RNA) where: Base-Base interactions energy: -682.783 where: short stacking energy: -301.319 Base-Backbone interact. energy: 0.128 local terms energy: -348.163238 where: bonds (distance) C4'-P energy: -69.494 bonds (distance) P-C4' energy: -74.956 flat angles C4'-P-C4' energy: -78.728 flat angles P-C4'-P energy: -45.945 tors. eta vs tors. theta energy: -79.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -806.332202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.332202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.332202 (E_RNA) where: Base-Base interactions energy: -497.419 where: short stacking energy: -233.147 Base-Backbone interact. energy: -0.888 local terms energy: -308.025532 where: bonds (distance) C4'-P energy: -62.047 bonds (distance) P-C4' energy: -79.927 flat angles C4'-P-C4' energy: -63.504 flat angles P-C4'-P energy: -51.431 tors. eta vs tors. theta energy: -51.116 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: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -669.223858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.223858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.223858 (E_RNA) where: Base-Base interactions energy: -373.606 where: short stacking energy: -204.454 Base-Backbone interact. energy: -1.359 local terms energy: -294.258591 where: bonds (distance) C4'-P energy: -52.381 bonds (distance) P-C4' energy: -68.634 flat angles C4'-P-C4' energy: -80.460 flat angles P-C4'-P energy: -43.822 tors. eta vs tors. theta energy: -48.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -644.833607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.833607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.833607 (E_RNA) where: Base-Base interactions energy: -365.656 where: short stacking energy: -200.686 Base-Backbone interact. energy: -1.298 local terms energy: -277.880545 where: bonds (distance) C4'-P energy: -62.519 bonds (distance) P-C4' energy: -72.730 flat angles C4'-P-C4' energy: -66.949 flat angles P-C4'-P energy: -40.416 tors. eta vs tors. theta energy: -35.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -590.040886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.040886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.040886 (E_RNA) where: Base-Base interactions energy: -324.175 where: short stacking energy: -164.225 Base-Backbone interact. energy: 0.515 local terms energy: -266.381280 where: bonds (distance) C4'-P energy: -71.127 bonds (distance) P-C4' energy: -74.392 flat angles C4'-P-C4' energy: -66.276 flat angles P-C4'-P energy: -39.047 tors. eta vs tors. theta energy: -15.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -314.106836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.106836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.106836 (E_RNA) where: Base-Base interactions energy: -127.114 where: short stacking energy: -92.358 Base-Backbone interact. energy: 0.079 local terms energy: -187.072187 where: bonds (distance) C4'-P energy: -65.091 bonds (distance) P-C4' energy: -60.571 flat angles C4'-P-C4' energy: -52.168 flat angles P-C4'-P energy: -26.047 tors. eta vs tors. theta energy: 16.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1348.518442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.518442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.518442 (E_RNA) where: Base-Base interactions energy: -924.083 where: short stacking energy: -412.813 Base-Backbone interact. energy: -1.147 local terms energy: -423.288577 where: bonds (distance) C4'-P energy: -75.046 bonds (distance) P-C4' energy: -78.685 flat angles C4'-P-C4' energy: -82.402 flat angles P-C4'-P energy: -59.936 tors. eta vs tors. theta energy: -127.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1289.943307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.943307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.943307 (E_RNA) where: Base-Base interactions energy: -874.060 where: short stacking energy: -377.035 Base-Backbone interact. energy: -2.447 local terms energy: -413.435997 where: bonds (distance) C4'-P energy: -69.528 bonds (distance) P-C4' energy: -83.969 flat angles C4'-P-C4' energy: -97.454 flat angles P-C4'-P energy: -58.789 tors. eta vs tors. theta energy: -103.695 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: 3, replica: 9 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1211.820679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.820679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.820679 (E_RNA) where: Base-Base interactions energy: -799.773 where: short stacking energy: -383.072 Base-Backbone interact. energy: -0.817 local terms energy: -411.231059 where: bonds (distance) C4'-P energy: -64.030 bonds (distance) P-C4' energy: -87.409 flat angles C4'-P-C4' energy: -88.247 flat angles P-C4'-P energy: -57.158 tors. eta vs tors. theta energy: -114.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1184.081046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.081046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.081046 (E_RNA) where: Base-Base interactions energy: -770.664 where: short stacking energy: -365.178 Base-Backbone interact. energy: -1.040 local terms energy: -412.377043 where: bonds (distance) C4'-P energy: -67.664 bonds (distance) P-C4' energy: -75.152 flat angles C4'-P-C4' energy: -90.112 flat angles P-C4'-P energy: -60.507 tors. eta vs tors. theta energy: -118.942 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: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1056.315358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.315358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.315358 (E_RNA) where: Base-Base interactions energy: -689.724 where: short stacking energy: -319.470 Base-Backbone interact. energy: -1.667 local terms energy: -364.923775 where: bonds (distance) C4'-P energy: -62.854 bonds (distance) P-C4' energy: -75.027 flat angles C4'-P-C4' energy: -86.179 flat angles P-C4'-P energy: -56.536 tors. eta vs tors. theta energy: -84.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -883.476050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.476050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.476050 (E_RNA) where: Base-Base interactions energy: -585.036 where: short stacking energy: -253.960 Base-Backbone interact. energy: -0.314 local terms energy: -298.125822 where: bonds (distance) C4'-P energy: -54.160 bonds (distance) P-C4' energy: -68.457 flat angles C4'-P-C4' energy: -70.932 flat angles P-C4'-P energy: -53.008 tors. eta vs tors. theta energy: -51.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -670.230118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.230118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.230118 (E_RNA) where: Base-Base interactions energy: -392.803 where: short stacking energy: -202.619 Base-Backbone interact. energy: -0.413 local terms energy: -277.013650 where: bonds (distance) C4'-P energy: -61.235 bonds (distance) P-C4' energy: -77.112 flat angles C4'-P-C4' energy: -71.994 flat angles P-C4'-P energy: -37.177 tors. eta vs tors. theta energy: -29.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -624.818890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.818890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.818890 (E_RNA) where: Base-Base interactions energy: -370.486 where: short stacking energy: -192.437 Base-Backbone interact. energy: -1.048 local terms energy: -253.285494 where: bonds (distance) C4'-P energy: -61.951 bonds (distance) P-C4' energy: -55.254 flat angles C4'-P-C4' energy: -73.943 flat angles P-C4'-P energy: -32.194 tors. eta vs tors. theta energy: -29.944 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: 9, replica: 6 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -596.917737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.917737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.917737 (E_RNA) where: Base-Base interactions energy: -360.765 where: short stacking energy: -182.782 Base-Backbone interact. energy: -0.900 local terms energy: -235.252378 where: bonds (distance) C4'-P energy: -54.722 bonds (distance) P-C4' energy: -68.024 flat angles C4'-P-C4' energy: -70.492 flat angles P-C4'-P energy: -29.096 tors. eta vs tors. theta energy: -12.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -318.980711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.980711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.980711 (E_RNA) where: Base-Base interactions energy: -134.626 where: short stacking energy: -90.882 Base-Backbone interact. energy: -1.265 local terms energy: -183.089950 where: bonds (distance) C4'-P energy: -57.674 bonds (distance) P-C4' energy: -67.028 flat angles C4'-P-C4' energy: -52.750 flat angles P-C4'-P energy: -32.302 tors. eta vs tors. theta energy: 26.664 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: 10 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1373.052092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.052092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.052092 (E_RNA) where: Base-Base interactions energy: -946.315 where: short stacking energy: -423.297 Base-Backbone interact. energy: -1.434 local terms energy: -425.302758 where: bonds (distance) C4'-P energy: -75.231 bonds (distance) P-C4' energy: -76.201 flat angles C4'-P-C4' energy: -87.526 flat angles P-C4'-P energy: -60.028 tors. eta vs tors. theta energy: -126.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1290.533500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.533500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.533500 (E_RNA) where: Base-Base interactions energy: -866.429 where: short stacking energy: -374.666 Base-Backbone interact. energy: -0.850 local terms energy: -423.254779 where: bonds (distance) C4'-P energy: -73.193 bonds (distance) P-C4' energy: -83.661 flat angles C4'-P-C4' energy: -90.340 flat angles P-C4'-P energy: -58.819 tors. eta vs tors. theta energy: -117.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1219.351799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.351799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.351799 (E_RNA) where: Base-Base interactions energy: -797.360 where: short stacking energy: -374.842 Base-Backbone interact. energy: -0.051 local terms energy: -421.940169 where: bonds (distance) C4'-P energy: -87.598 bonds (distance) P-C4' energy: -74.818 flat angles C4'-P-C4' energy: -89.733 flat angles P-C4'-P energy: -53.510 tors. eta vs tors. theta energy: -116.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1142.931210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.931210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.931210 (E_RNA) where: Base-Base interactions energy: -747.716 where: short stacking energy: -346.790 Base-Backbone interact. energy: -3.010 local terms energy: -392.204663 where: bonds (distance) C4'-P energy: -80.829 bonds (distance) P-C4' energy: -85.116 flat angles C4'-P-C4' energy: -76.270 flat angles P-C4'-P energy: -46.655 tors. eta vs tors. theta energy: -103.336 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: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1097.599360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.599360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.599360 (E_RNA) where: Base-Base interactions energy: -721.598 where: short stacking energy: -307.781 Base-Backbone interact. energy: 5.440 local terms energy: -381.441416 where: bonds (distance) C4'-P energy: -75.405 bonds (distance) P-C4' energy: -83.747 flat angles C4'-P-C4' energy: -83.242 flat angles P-C4'-P energy: -55.952 tors. eta vs tors. theta energy: -83.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -916.024584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.024584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.024584 (E_RNA) where: Base-Base interactions energy: -600.009 where: short stacking energy: -263.120 Base-Backbone interact. energy: -1.721 local terms energy: -314.294665 where: bonds (distance) C4'-P energy: -77.274 bonds (distance) P-C4' energy: -72.660 flat angles C4'-P-C4' energy: -72.164 flat angles P-C4'-P energy: -37.976 tors. eta vs tors. theta energy: -54.221 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: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -682.984683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.984683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.984683 (E_RNA) where: Base-Base interactions energy: -375.049 where: short stacking energy: -188.863 Base-Backbone interact. energy: 2.506 local terms energy: -310.441494 where: bonds (distance) C4'-P energy: -79.688 bonds (distance) P-C4' energy: -81.683 flat angles C4'-P-C4' energy: -68.729 flat angles P-C4'-P energy: -42.277 tors. eta vs tors. theta energy: -38.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -600.185175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.185175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.185175 (E_RNA) where: Base-Base interactions energy: -349.743 where: short stacking energy: -175.999 Base-Backbone interact. energy: -0.947 local terms energy: -249.494829 where: bonds (distance) C4'-P energy: -67.878 bonds (distance) P-C4' energy: -65.595 flat angles C4'-P-C4' energy: -68.111 flat angles P-C4'-P energy: -33.963 tors. eta vs tors. theta energy: -13.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -666.333554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.333554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.333554 (E_RNA) where: Base-Base interactions energy: -393.939 where: short stacking energy: -189.582 Base-Backbone interact. energy: 0.108 local terms energy: -272.502408 where: bonds (distance) C4'-P energy: -74.952 bonds (distance) P-C4' energy: -62.787 flat angles C4'-P-C4' energy: -69.236 flat angles P-C4'-P energy: -42.381 tors. eta vs tors. theta energy: -23.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -328.171374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.171374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.171374 (E_RNA) where: Base-Base interactions energy: -110.768 where: short stacking energy: -92.628 Base-Backbone interact. energy: -0.816 local terms energy: -216.587321 where: bonds (distance) C4'-P energy: -67.493 bonds (distance) P-C4' energy: -71.989 flat angles C4'-P-C4' energy: -61.029 flat angles P-C4'-P energy: -27.769 tors. eta vs tors. theta energy: 11.692 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: 1, replica: 10 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1372.159474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.159474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.159474 (E_RNA) where: Base-Base interactions energy: -930.163 where: short stacking energy: -416.638 Base-Backbone interact. energy: -1.443 local terms energy: -440.553508 where: bonds (distance) C4'-P energy: -80.542 bonds (distance) P-C4' energy: -77.972 flat angles C4'-P-C4' energy: -85.285 flat angles P-C4'-P energy: -73.950 tors. eta vs tors. theta energy: -122.804 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: 2, replica: 7 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1256.774581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.774581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.774581 (E_RNA) where: Base-Base interactions energy: -865.357 where: short stacking energy: -373.257 Base-Backbone interact. energy: -0.831 local terms energy: -390.586305 where: bonds (distance) C4'-P energy: -80.438 bonds (distance) P-C4' energy: -76.234 flat angles C4'-P-C4' energy: -75.752 flat angles P-C4'-P energy: -56.900 tors. eta vs tors. theta energy: -101.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1193.769675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.769675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.769675 (E_RNA) where: Base-Base interactions energy: -793.626 where: short stacking energy: -363.379 Base-Backbone interact. energy: -1.538 local terms energy: -398.605848 where: bonds (distance) C4'-P energy: -70.778 bonds (distance) P-C4' energy: -68.530 flat angles C4'-P-C4' energy: -91.859 flat angles P-C4'-P energy: -56.100 tors. eta vs tors. theta energy: -111.340 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: 4 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1169.339299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.339299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.339299 (E_RNA) where: Base-Base interactions energy: -772.075 where: short stacking energy: -357.808 Base-Backbone interact. energy: -1.140 local terms energy: -396.124012 where: bonds (distance) C4'-P energy: -69.288 bonds (distance) P-C4' energy: -86.496 flat angles C4'-P-C4' energy: -77.515 flat angles P-C4'-P energy: -61.628 tors. eta vs tors. theta energy: -101.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1096.630945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.630945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.630945 (E_RNA) where: Base-Base interactions energy: -731.361 where: short stacking energy: -312.919 Base-Backbone interact. energy: -3.434 local terms energy: -361.836558 where: bonds (distance) C4'-P energy: -70.574 bonds (distance) P-C4' energy: -76.215 flat angles C4'-P-C4' energy: -81.748 flat angles P-C4'-P energy: -49.959 tors. eta vs tors. theta energy: -83.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -908.677126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.677126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.677126 (E_RNA) where: Base-Base interactions energy: -593.321 where: short stacking energy: -274.419 Base-Backbone interact. energy: 0.716 local terms energy: -316.071371 where: bonds (distance) C4'-P energy: -66.894 bonds (distance) P-C4' energy: -64.022 flat angles C4'-P-C4' energy: -70.426 flat angles P-C4'-P energy: -43.416 tors. eta vs tors. theta energy: -71.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -719.065410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.065410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.065410 (E_RNA) where: Base-Base interactions energy: -416.545 where: short stacking energy: -229.553 Base-Backbone interact. energy: -3.518 local terms energy: -299.002219 where: bonds (distance) C4'-P energy: -70.798 bonds (distance) P-C4' energy: -78.353 flat angles C4'-P-C4' energy: -67.543 flat angles P-C4'-P energy: -43.424 tors. eta vs tors. theta energy: -38.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -606.460382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.460382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.460382 (E_RNA) where: Base-Base interactions energy: -341.557 where: short stacking energy: -162.837 Base-Backbone interact. energy: 6.854 local terms energy: -271.757846 where: bonds (distance) C4'-P energy: -76.608 bonds (distance) P-C4' energy: -68.792 flat angles C4'-P-C4' energy: -67.850 flat angles P-C4'-P energy: -35.104 tors. eta vs tors. theta energy: -23.404 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: 3 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -565.049649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.049649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.049649 (E_RNA) where: Base-Base interactions energy: -326.100 where: short stacking energy: -172.226 Base-Backbone interact. energy: 3.195 local terms energy: -242.145013 where: bonds (distance) C4'-P energy: -59.491 bonds (distance) P-C4' energy: -56.690 flat angles C4'-P-C4' energy: -64.645 flat angles P-C4'-P energy: -36.655 tors. eta vs tors. theta energy: -24.665 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: 389 Temperature: 1.350000 Total energy: -322.125123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.125123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.125123 (E_RNA) where: Base-Base interactions energy: -115.600 where: short stacking energy: -103.275 Base-Backbone interact. energy: 0.592 local terms energy: -207.116882 where: bonds (distance) C4'-P energy: -53.915 bonds (distance) P-C4' energy: -62.002 flat angles C4'-P-C4' energy: -67.334 flat angles P-C4'-P energy: -33.146 tors. eta vs tors. theta energy: 9.280 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: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1386.043096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.043096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.043096 (E_RNA) where: Base-Base interactions energy: -940.289 where: short stacking energy: -430.384 Base-Backbone interact. energy: 0.724 local terms energy: -446.477598 where: bonds (distance) C4'-P energy: -72.373 bonds (distance) P-C4' energy: -81.863 flat angles C4'-P-C4' energy: -94.285 flat angles P-C4'-P energy: -69.844 tors. eta vs tors. theta energy: -128.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1301.253501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.253501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.253501 (E_RNA) where: Base-Base interactions energy: -896.445 where: short stacking energy: -379.730 Base-Backbone interact. energy: 2.148 local terms energy: -406.956597 where: bonds (distance) C4'-P energy: -79.281 bonds (distance) P-C4' energy: -77.155 flat angles C4'-P-C4' energy: -90.745 flat angles P-C4'-P energy: -45.320 tors. eta vs tors. theta energy: -114.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1213.932138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.932138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.932138 (E_RNA) where: Base-Base interactions energy: -806.887 where: short stacking energy: -367.688 Base-Backbone interact. energy: -1.926 local terms energy: -405.118933 where: bonds (distance) C4'-P energy: -81.302 bonds (distance) P-C4' energy: -74.560 flat angles C4'-P-C4' energy: -84.208 flat angles P-C4'-P energy: -54.313 tors. eta vs tors. theta energy: -110.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1151.609479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.609479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.609479 (E_RNA) where: Base-Base interactions energy: -760.572 where: short stacking energy: -341.341 Base-Backbone interact. energy: -1.554 local terms energy: -389.483453 where: bonds (distance) C4'-P energy: -74.471 bonds (distance) P-C4' energy: -63.471 flat angles C4'-P-C4' energy: -93.801 flat angles P-C4'-P energy: -49.329 tors. eta vs tors. theta energy: -108.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1055.510611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.510611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.510611 (E_RNA) where: Base-Base interactions energy: -696.167 where: short stacking energy: -317.968 Base-Backbone interact. energy: -2.283 local terms energy: -357.060384 where: bonds (distance) C4'-P energy: -82.725 bonds (distance) P-C4' energy: -68.076 flat angles C4'-P-C4' energy: -78.482 flat angles P-C4'-P energy: -44.749 tors. eta vs tors. theta energy: -83.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -932.099419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.099419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.099419 (E_RNA) where: Base-Base interactions energy: -586.832 where: short stacking energy: -286.745 Base-Backbone interact. energy: 0.685 local terms energy: -345.952025 where: bonds (distance) C4'-P energy: -71.898 bonds (distance) P-C4' energy: -74.237 flat angles C4'-P-C4' energy: -72.294 flat angles P-C4'-P energy: -55.029 tors. eta vs tors. theta energy: -72.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -694.865480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.865480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.865480 (E_RNA) where: Base-Base interactions energy: -407.359 where: short stacking energy: -225.094 Base-Backbone interact. energy: 0.189 local terms energy: -287.695356 where: bonds (distance) C4'-P energy: -73.111 bonds (distance) P-C4' energy: -66.774 flat angles C4'-P-C4' energy: -68.084 flat angles P-C4'-P energy: -40.119 tors. eta vs tors. theta energy: -39.608 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: 8, replica: 6 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -657.019399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.019399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.019399 (E_RNA) where: Base-Base interactions energy: -393.582 where: short stacking energy: -191.072 Base-Backbone interact. energy: -0.960 local terms energy: -262.477964 where: bonds (distance) C4'-P energy: -58.033 bonds (distance) P-C4' energy: -73.312 flat angles C4'-P-C4' energy: -53.261 flat angles P-C4'-P energy: -46.683 tors. eta vs tors. theta energy: -31.189 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: 9, replica: 3 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -582.721908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.721908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.721908 (E_RNA) where: Base-Base interactions energy: -309.230 where: short stacking energy: -136.595 Base-Backbone interact. energy: 0.565 local terms energy: -274.056890 where: bonds (distance) C4'-P energy: -74.396 bonds (distance) P-C4' energy: -74.363 flat angles C4'-P-C4' energy: -65.348 flat angles P-C4'-P energy: -40.935 tors. eta vs tors. theta energy: -19.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -325.805455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.805455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.805455 (E_RNA) where: Base-Base interactions energy: -117.425 where: short stacking energy: -104.280 Base-Backbone interact. energy: -0.081 local terms energy: -208.300373 where: bonds (distance) C4'-P energy: -71.832 bonds (distance) P-C4' energy: -62.812 flat angles C4'-P-C4' energy: -48.252 flat angles P-C4'-P energy: -31.676 tors. eta vs tors. theta energy: 6.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1376.776923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.776923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.776923 (E_RNA) where: Base-Base interactions energy: -932.619 where: short stacking energy: -429.312 Base-Backbone interact. energy: -0.085 local terms energy: -444.072256 where: bonds (distance) C4'-P energy: -86.576 bonds (distance) P-C4' energy: -82.191 flat angles C4'-P-C4' energy: -83.826 flat angles P-C4'-P energy: -65.846 tors. eta vs tors. theta energy: -125.633 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: 7 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1310.941822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.941822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.941822 (E_RNA) where: Base-Base interactions energy: -896.618 where: short stacking energy: -385.164 Base-Backbone interact. energy: -1.161 local terms energy: -413.162209 where: bonds (distance) C4'-P energy: -81.728 bonds (distance) P-C4' energy: -80.315 flat angles C4'-P-C4' energy: -82.867 flat angles P-C4'-P energy: -52.161 tors. eta vs tors. theta energy: -116.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1224.224461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.224461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.224461 (E_RNA) where: Base-Base interactions energy: -824.080 where: short stacking energy: -386.662 Base-Backbone interact. energy: -1.590 local terms energy: -398.555163 where: bonds (distance) C4'-P energy: -61.729 bonds (distance) P-C4' energy: -78.237 flat angles C4'-P-C4' energy: -87.343 flat angles P-C4'-P energy: -58.690 tors. eta vs tors. theta energy: -112.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1147.433273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.433273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.433273 (E_RNA) where: Base-Base interactions energy: -765.525 where: short stacking energy: -362.681 Base-Backbone interact. energy: 1.428 local terms energy: -383.336523 where: bonds (distance) C4'-P energy: -67.992 bonds (distance) P-C4' energy: -71.490 flat angles C4'-P-C4' energy: -89.371 flat angles P-C4'-P energy: -48.239 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: 5, replica: 2 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1043.698726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.698726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.698726 (E_RNA) where: Base-Base interactions energy: -697.953 where: short stacking energy: -329.665 Base-Backbone interact. energy: 5.245 local terms energy: -350.991008 where: bonds (distance) C4'-P energy: -63.436 bonds (distance) P-C4' energy: -72.023 flat angles C4'-P-C4' energy: -78.057 flat angles P-C4'-P energy: -52.882 tors. eta vs tors. theta energy: -84.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -927.459435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.459435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.459435 (E_RNA) where: Base-Base interactions energy: -615.045 where: short stacking energy: -275.917 Base-Backbone interact. energy: -2.671 local terms energy: -309.743687 where: bonds (distance) C4'-P energy: -65.699 bonds (distance) P-C4' energy: -57.603 flat angles C4'-P-C4' energy: -69.553 flat angles P-C4'-P energy: -48.457 tors. eta vs tors. theta energy: -68.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -672.717196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.717196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.717196 (E_RNA) where: Base-Base interactions energy: -376.858 where: short stacking energy: -188.177 Base-Backbone interact. energy: 0.118 local terms energy: -295.976963 where: bonds (distance) C4'-P energy: -72.983 bonds (distance) P-C4' energy: -68.986 flat angles C4'-P-C4' energy: -75.248 flat angles P-C4'-P energy: -35.331 tors. eta vs tors. theta energy: -43.430 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: 6 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -653.671194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.671194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.671194 (E_RNA) where: Base-Base interactions energy: -366.893 where: short stacking energy: -174.880 Base-Backbone interact. energy: 0.841 local terms energy: -287.618806 where: bonds (distance) C4'-P energy: -75.170 bonds (distance) P-C4' energy: -72.604 flat angles C4'-P-C4' energy: -74.853 flat angles P-C4'-P energy: -49.157 tors. eta vs tors. theta energy: -15.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -585.728539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.728539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.728539 (E_RNA) where: Base-Base interactions energy: -362.129 where: short stacking energy: -162.297 Base-Backbone interact. energy: 2.003 local terms energy: -225.603199 where: bonds (distance) C4'-P energy: -61.568 bonds (distance) P-C4' energy: -64.599 flat angles C4'-P-C4' energy: -46.023 flat angles P-C4'-P energy: -29.163 tors. eta vs tors. theta energy: -24.250 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: 10, replica: 8 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -338.779719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.779719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.779719 (E_RNA) where: Base-Base interactions energy: -136.129 where: short stacking energy: -91.675 Base-Backbone interact. energy: -1.429 local terms energy: -201.221911 where: bonds (distance) C4'-P energy: -55.702 bonds (distance) P-C4' energy: -54.626 flat angles C4'-P-C4' energy: -71.153 flat angles P-C4'-P energy: -24.386 tors. eta vs tors. theta energy: 4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1381.167258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.167258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.167258 (E_RNA) where: Base-Base interactions energy: -929.899 where: short stacking energy: -419.723 Base-Backbone interact. energy: -2.542 local terms energy: -448.726352 where: bonds (distance) C4'-P energy: -78.983 bonds (distance) P-C4' energy: -77.212 flat angles C4'-P-C4' energy: -95.313 flat angles P-C4'-P energy: -66.175 tors. eta vs tors. theta energy: -131.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1271.144294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.144294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.144294 (E_RNA) where: Base-Base interactions energy: -860.577 where: short stacking energy: -389.256 Base-Backbone interact. energy: -2.087 local terms energy: -408.480590 where: bonds (distance) C4'-P energy: -79.067 bonds (distance) P-C4' energy: -80.615 flat angles C4'-P-C4' energy: -83.722 flat angles P-C4'-P energy: -60.394 tors. eta vs tors. theta energy: -104.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1254.219336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.219336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.219336 (E_RNA) where: Base-Base interactions energy: -832.254 where: short stacking energy: -397.218 Base-Backbone interact. energy: -1.987 local terms energy: -419.978437 where: bonds (distance) C4'-P energy: -81.544 bonds (distance) P-C4' energy: -71.214 flat angles C4'-P-C4' energy: -86.854 flat angles P-C4'-P energy: -62.684 tors. eta vs tors. theta energy: -117.683 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: 4 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1187.229698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.229698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.229698 (E_RNA) where: Base-Base interactions energy: -786.650 where: short stacking energy: -358.134 Base-Backbone interact. energy: -2.247 local terms energy: -398.332996 where: bonds (distance) C4'-P energy: -74.371 bonds (distance) P-C4' energy: -77.186 flat angles C4'-P-C4' energy: -86.182 flat angles P-C4'-P energy: -56.424 tors. eta vs tors. theta energy: -104.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1079.268290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.268290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.268290 (E_RNA) where: Base-Base interactions energy: -733.435 where: short stacking energy: -327.337 Base-Backbone interact. energy: -0.533 local terms energy: -345.300571 where: bonds (distance) C4'-P energy: -68.750 bonds (distance) P-C4' energy: -65.981 flat angles C4'-P-C4' energy: -76.369 flat angles P-C4'-P energy: -49.391 tors. eta vs tors. theta energy: -84.810 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: 1 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -938.103679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.103679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.103679 (E_RNA) where: Base-Base interactions energy: -632.516 where: short stacking energy: -276.077 Base-Backbone interact. energy: -2.995 local terms energy: -302.592163 where: bonds (distance) C4'-P energy: -62.618 bonds (distance) P-C4' energy: -63.226 flat angles C4'-P-C4' energy: -66.228 flat angles P-C4'-P energy: -44.960 tors. eta vs tors. theta energy: -65.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -680.447016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.447016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.447016 (E_RNA) where: Base-Base interactions energy: -385.300 where: short stacking energy: -203.214 Base-Backbone interact. energy: -0.568 local terms energy: -294.578554 where: bonds (distance) C4'-P energy: -50.953 bonds (distance) P-C4' energy: -80.916 flat angles C4'-P-C4' energy: -72.522 flat angles P-C4'-P energy: -50.543 tors. eta vs tors. theta energy: -39.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -679.572759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.572759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.572759 (E_RNA) where: Base-Base interactions energy: -382.099 where: short stacking energy: -180.790 Base-Backbone interact. energy: -2.369 local terms energy: -295.105038 where: bonds (distance) C4'-P energy: -70.487 bonds (distance) P-C4' energy: -72.568 flat angles C4'-P-C4' energy: -68.676 flat angles P-C4'-P energy: -56.784 tors. eta vs tors. theta energy: -26.591 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: 3 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -654.992383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.992383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.992383 (E_RNA) where: Base-Base interactions energy: -385.564 where: short stacking energy: -215.950 Base-Backbone interact. energy: 0.329 local terms energy: -269.756503 where: bonds (distance) C4'-P energy: -64.137 bonds (distance) P-C4' energy: -63.646 flat angles C4'-P-C4' energy: -76.658 flat angles P-C4'-P energy: -27.776 tors. eta vs tors. theta energy: -37.540 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: 392 Temperature: 1.350000 Total energy: -310.689218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.689218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.689218 (E_RNA) where: Base-Base interactions energy: -101.586 where: short stacking energy: -80.002 Base-Backbone interact. energy: -1.491 local terms energy: -207.612811 where: bonds (distance) C4'-P energy: -61.099 bonds (distance) P-C4' energy: -69.014 flat angles C4'-P-C4' energy: -61.281 flat angles P-C4'-P energy: -25.204 tors. eta vs tors. theta energy: 8.985 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: 10 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1386.928561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.928561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.928561 (E_RNA) where: Base-Base interactions energy: -928.026 where: short stacking energy: -408.494 Base-Backbone interact. energy: 0.062 local terms energy: -458.965335 where: bonds (distance) C4'-P energy: -80.361 bonds (distance) P-C4' energy: -92.645 flat angles C4'-P-C4' energy: -94.007 flat angles P-C4'-P energy: -65.167 tors. eta vs tors. theta energy: -126.784 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: 2, replica: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1256.709734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.709734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.709734 (E_RNA) where: Base-Base interactions energy: -869.821 where: short stacking energy: -401.516 Base-Backbone interact. energy: -1.633 local terms energy: -385.254970 where: bonds (distance) C4'-P energy: -72.322 bonds (distance) P-C4' energy: -77.891 flat angles C4'-P-C4' energy: -79.426 flat angles P-C4'-P energy: -55.796 tors. eta vs tors. theta energy: -99.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1256.471713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.471713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.471713 (E_RNA) where: Base-Base interactions energy: -836.480 where: short stacking energy: -390.223 Base-Backbone interact. energy: -2.092 local terms energy: -417.899971 where: bonds (distance) C4'-P energy: -74.355 bonds (distance) P-C4' energy: -75.191 flat angles C4'-P-C4' energy: -97.784 flat angles P-C4'-P energy: -52.214 tors. eta vs tors. theta energy: -118.355 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: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1179.803639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.803639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.803639 (E_RNA) where: Base-Base interactions energy: -781.938 where: short stacking energy: -366.709 Base-Backbone interact. energy: -1.782 local terms energy: -396.083747 where: bonds (distance) C4'-P energy: -76.433 bonds (distance) P-C4' energy: -73.509 flat angles C4'-P-C4' energy: -90.014 flat angles P-C4'-P energy: -48.403 tors. eta vs tors. theta energy: -107.725 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: 2 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1065.404311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.404311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.404311 (E_RNA) where: Base-Base interactions energy: -713.149 where: short stacking energy: -297.397 Base-Backbone interact. energy: -0.465 local terms energy: -351.789992 where: bonds (distance) C4'-P energy: -81.039 bonds (distance) P-C4' energy: -64.496 flat angles C4'-P-C4' energy: -61.342 flat angles P-C4'-P energy: -66.098 tors. eta vs tors. theta energy: -78.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -942.139144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.139144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.139144 (E_RNA) where: Base-Base interactions energy: -614.850 where: short stacking energy: -265.867 Base-Backbone interact. energy: -1.456 local terms energy: -325.833008 where: bonds (distance) C4'-P energy: -74.899 bonds (distance) P-C4' energy: -66.003 flat angles C4'-P-C4' energy: -77.088 flat angles P-C4'-P energy: -52.532 tors. eta vs tors. theta energy: -55.312 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: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -692.765639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.765639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.765639 (E_RNA) where: Base-Base interactions energy: -410.624 where: short stacking energy: -213.313 Base-Backbone interact. energy: -0.605 local terms energy: -281.537004 where: bonds (distance) C4'-P energy: -53.404 bonds (distance) P-C4' energy: -72.389 flat angles C4'-P-C4' energy: -65.636 flat angles P-C4'-P energy: -51.341 tors. eta vs tors. theta energy: -38.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -671.150834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.150834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.150834 (E_RNA) where: Base-Base interactions energy: -437.502 where: short stacking energy: -194.984 Base-Backbone interact. energy: -1.150 local terms energy: -232.498794 where: bonds (distance) C4'-P energy: -67.167 bonds (distance) P-C4' energy: -68.960 flat angles C4'-P-C4' energy: -48.876 flat angles P-C4'-P energy: -29.730 tors. eta vs tors. theta energy: -17.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -637.071733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.071733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.071733 (E_RNA) where: Base-Base interactions energy: -363.685 where: short stacking energy: -169.057 Base-Backbone interact. energy: 1.956 local terms energy: -275.342511 where: bonds (distance) C4'-P energy: -56.218 bonds (distance) P-C4' energy: -74.655 flat angles C4'-P-C4' energy: -64.224 flat angles P-C4'-P energy: -38.534 tors. eta vs tors. theta energy: -41.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -338.665812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.665812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.665812 (E_RNA) where: Base-Base interactions energy: -124.517 where: short stacking energy: -107.009 Base-Backbone interact. energy: -0.504 local terms energy: -213.644217 where: bonds (distance) C4'-P energy: -51.012 bonds (distance) P-C4' energy: -76.123 flat angles C4'-P-C4' energy: -56.455 flat angles P-C4'-P energy: -24.208 tors. eta vs tors. theta energy: -5.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1377.507964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.507964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.507964 (E_RNA) where: Base-Base interactions energy: -932.564 where: short stacking energy: -407.852 Base-Backbone interact. energy: -1.052 local terms energy: -443.892167 where: bonds (distance) C4'-P energy: -82.277 bonds (distance) P-C4' energy: -77.434 flat angles C4'-P-C4' energy: -87.167 flat angles P-C4'-P energy: -69.532 tors. eta vs tors. theta energy: -127.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1246.676956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.676956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.676956 (E_RNA) where: Base-Base interactions energy: -838.704 where: short stacking energy: -382.613 Base-Backbone interact. energy: -0.961 local terms energy: -407.011079 where: bonds (distance) C4'-P energy: -72.181 bonds (distance) P-C4' energy: -87.084 flat angles C4'-P-C4' energy: -83.270 flat angles P-C4'-P energy: -56.356 tors. eta vs tors. theta energy: -108.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1239.016196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.016196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.016196 (E_RNA) where: Base-Base interactions energy: -833.041 where: short stacking energy: -394.552 Base-Backbone interact. energy: -1.854 local terms energy: -404.121015 where: bonds (distance) C4'-P energy: -71.669 bonds (distance) P-C4' energy: -71.744 flat angles C4'-P-C4' energy: -83.425 flat angles P-C4'-P energy: -60.978 tors. eta vs tors. theta energy: -116.304 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: 4 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1159.603602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.603602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.603602 (E_RNA) where: Base-Base interactions energy: -762.038 where: short stacking energy: -359.017 Base-Backbone interact. energy: -1.561 local terms energy: -396.004830 where: bonds (distance) C4'-P energy: -76.953 bonds (distance) P-C4' energy: -75.803 flat angles C4'-P-C4' energy: -88.160 flat angles P-C4'-P energy: -50.128 tors. eta vs tors. theta energy: -104.960 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: 5, replica: 2 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1030.536507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.536507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.536507 (E_RNA) where: Base-Base interactions energy: -673.630 where: short stacking energy: -287.517 Base-Backbone interact. energy: -2.448 local terms energy: -354.458222 where: bonds (distance) C4'-P energy: -76.147 bonds (distance) P-C4' energy: -86.860 flat angles C4'-P-C4' energy: -80.065 flat angles P-C4'-P energy: -52.536 tors. eta vs tors. theta energy: -58.851 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: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -953.747508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.747508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.747508 (E_RNA) where: Base-Base interactions energy: -610.590 where: short stacking energy: -281.818 Base-Backbone interact. energy: -1.641 local terms energy: -341.516652 where: bonds (distance) C4'-P energy: -68.517 bonds (distance) P-C4' energy: -73.687 flat angles C4'-P-C4' energy: -80.692 flat angles P-C4'-P energy: -39.207 tors. eta vs tors. theta energy: -79.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -798.878618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.878618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.878618 (E_RNA) where: Base-Base interactions energy: -494.529 where: short stacking energy: -232.675 Base-Backbone interact. energy: 5.510 local terms energy: -309.859793 where: bonds (distance) C4'-P energy: -59.454 bonds (distance) P-C4' energy: -75.394 flat angles C4'-P-C4' energy: -67.352 flat angles P-C4'-P energy: -47.932 tors. eta vs tors. theta energy: -59.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -622.872077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.872077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.872077 (E_RNA) where: Base-Base interactions energy: -336.125 where: short stacking energy: -168.095 Base-Backbone interact. energy: -1.668 local terms energy: -285.078959 where: bonds (distance) C4'-P energy: -56.889 bonds (distance) P-C4' energy: -72.760 flat angles C4'-P-C4' energy: -69.489 flat angles P-C4'-P energy: -53.555 tors. eta vs tors. theta energy: -32.386 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: 3 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -601.290361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.290361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.290361 (E_RNA) where: Base-Base interactions energy: -341.465 where: short stacking energy: -182.624 Base-Backbone interact. energy: 0.611 local terms energy: -260.436764 where: bonds (distance) C4'-P energy: -76.623 bonds (distance) P-C4' energy: -72.319 flat angles C4'-P-C4' energy: -61.040 flat angles P-C4'-P energy: -23.352 tors. eta vs tors. theta energy: -27.103 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: 10, replica: 8 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -337.643496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.643496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.643496 (E_RNA) where: Base-Base interactions energy: -129.393 where: short stacking energy: -106.667 Base-Backbone interact. energy: -0.158 local terms energy: -208.092104 where: bonds (distance) C4'-P energy: -53.118 bonds (distance) P-C4' energy: -73.550 flat angles C4'-P-C4' energy: -45.314 flat angles P-C4'-P energy: -41.756 tors. eta vs tors. theta energy: 5.645 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: 1, replica: 10 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1367.570856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.570856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.570856 (E_RNA) where: Base-Base interactions energy: -934.713 where: short stacking energy: -407.261 Base-Backbone interact. energy: -0.664 local terms energy: -432.193529 where: bonds (distance) C4'-P energy: -86.696 bonds (distance) P-C4' energy: -82.635 flat angles C4'-P-C4' energy: -88.555 flat angles P-C4'-P energy: -56.312 tors. eta vs tors. theta energy: -117.996 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: 2, replica: 7 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1260.735607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.735607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.735607 (E_RNA) where: Base-Base interactions energy: -874.846 where: short stacking energy: -390.526 Base-Backbone interact. energy: -0.810 local terms energy: -385.079569 where: bonds (distance) C4'-P energy: -78.977 bonds (distance) P-C4' energy: -68.293 flat angles C4'-P-C4' energy: -80.758 flat angles P-C4'-P energy: -51.338 tors. eta vs tors. theta energy: -105.713 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: 9 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1199.965487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.965487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.965487 (E_RNA) where: Base-Base interactions energy: -797.248 where: short stacking energy: -380.263 Base-Backbone interact. energy: -1.581 local terms energy: -401.136927 where: bonds (distance) C4'-P energy: -69.329 bonds (distance) P-C4' energy: -80.024 flat angles C4'-P-C4' energy: -80.582 flat angles P-C4'-P energy: -58.377 tors. eta vs tors. theta energy: -112.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1157.580969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.580969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.580969 (E_RNA) where: Base-Base interactions energy: -775.532 where: short stacking energy: -338.908 Base-Backbone interact. energy: -0.406 local terms energy: -381.643765 where: bonds (distance) C4'-P energy: -69.220 bonds (distance) P-C4' energy: -74.015 flat angles C4'-P-C4' energy: -89.085 flat angles P-C4'-P energy: -49.822 tors. eta vs tors. theta energy: -99.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1054.532201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.532201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.532201 (E_RNA) where: Base-Base interactions energy: -678.465 where: short stacking energy: -310.050 Base-Backbone interact. energy: -1.898 local terms energy: -374.168356 where: bonds (distance) C4'-P energy: -68.346 bonds (distance) P-C4' energy: -70.219 flat angles C4'-P-C4' energy: -93.677 flat angles P-C4'-P energy: -53.114 tors. eta vs tors. theta energy: -88.812 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: 6, replica: 1 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -971.823464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.823464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.823464 (E_RNA) where: Base-Base interactions energy: -629.565 where: short stacking energy: -269.795 Base-Backbone interact. energy: -0.086 local terms energy: -342.171902 where: bonds (distance) C4'-P energy: -86.352 bonds (distance) P-C4' energy: -67.519 flat angles C4'-P-C4' energy: -75.147 flat angles P-C4'-P energy: -44.673 tors. eta vs tors. theta energy: -68.480 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: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -761.233443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.233443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.233443 (E_RNA) where: Base-Base interactions energy: -494.534 where: short stacking energy: -236.953 Base-Backbone interact. energy: 6.406 local terms energy: -273.105270 where: bonds (distance) C4'-P energy: -71.018 bonds (distance) P-C4' energy: -65.399 flat angles C4'-P-C4' energy: -64.216 flat angles P-C4'-P energy: -38.520 tors. eta vs tors. theta energy: -33.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -625.718187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.718187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.718187 (E_RNA) where: Base-Base interactions energy: -352.281 where: short stacking energy: -169.494 Base-Backbone interact. energy: -2.131 local terms energy: -271.306772 where: bonds (distance) C4'-P energy: -74.119 bonds (distance) P-C4' energy: -68.937 flat angles C4'-P-C4' energy: -71.831 flat angles P-C4'-P energy: -36.512 tors. eta vs tors. theta energy: -19.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -561.903956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.903956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.903956 (E_RNA) where: Base-Base interactions energy: -314.844 where: short stacking energy: -172.624 Base-Backbone interact. energy: 0.012 local terms energy: -247.072368 where: bonds (distance) C4'-P energy: -55.176 bonds (distance) P-C4' energy: -66.484 flat angles C4'-P-C4' energy: -55.732 flat angles P-C4'-P energy: -39.844 tors. eta vs tors. theta energy: -29.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -332.966776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.966776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.966776 (E_RNA) where: Base-Base interactions energy: -139.604 where: short stacking energy: -117.962 Base-Backbone interact. energy: -1.024 local terms energy: -192.339266 where: bonds (distance) C4'-P energy: -56.800 bonds (distance) P-C4' energy: -60.768 flat angles C4'-P-C4' energy: -58.016 flat angles P-C4'-P energy: -25.613 tors. eta vs tors. theta energy: 8.858 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: 10 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1363.836524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.836524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.836524 (E_RNA) where: Base-Base interactions energy: -934.545 where: short stacking energy: -405.503 Base-Backbone interact. energy: -0.752 local terms energy: -428.540394 where: bonds (distance) C4'-P energy: -75.371 bonds (distance) P-C4' energy: -77.798 flat angles C4'-P-C4' energy: -93.055 flat angles P-C4'-P energy: -63.226 tors. eta vs tors. theta energy: -119.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1268.012134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.012134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.012134 (E_RNA) where: Base-Base interactions energy: -863.455 where: short stacking energy: -364.959 Base-Backbone interact. energy: -1.726 local terms energy: -402.830279 where: bonds (distance) C4'-P energy: -82.280 bonds (distance) P-C4' energy: -79.650 flat angles C4'-P-C4' energy: -84.406 flat angles P-C4'-P energy: -51.695 tors. eta vs tors. theta energy: -104.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1217.767643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.767643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.767643 (E_RNA) where: Base-Base interactions energy: -813.641 where: short stacking energy: -381.956 Base-Backbone interact. energy: 0.048 local terms energy: -404.174904 where: bonds (distance) C4'-P energy: -73.421 bonds (distance) P-C4' energy: -65.724 flat angles C4'-P-C4' energy: -91.244 flat angles P-C4'-P energy: -56.333 tors. eta vs tors. theta energy: -117.453 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: 4 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1166.607300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.607300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.607300 (E_RNA) where: Base-Base interactions energy: -775.297 where: short stacking energy: -350.707 Base-Backbone interact. energy: -1.381 local terms energy: -389.929268 where: bonds (distance) C4'-P energy: -64.906 bonds (distance) P-C4' energy: -78.062 flat angles C4'-P-C4' energy: -72.514 flat angles P-C4'-P energy: -64.541 tors. eta vs tors. theta energy: -109.907 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: 5, replica: 2 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1090.147949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.147949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.147949 (E_RNA) where: Base-Base interactions energy: -716.636 where: short stacking energy: -318.467 Base-Backbone interact. energy: -2.219 local terms energy: -371.292636 where: bonds (distance) C4'-P energy: -69.692 bonds (distance) P-C4' energy: -78.979 flat angles C4'-P-C4' energy: -80.364 flat angles P-C4'-P energy: -58.537 tors. eta vs tors. theta energy: -83.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -964.806412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.806412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.806412 (E_RNA) where: Base-Base interactions energy: -646.280 where: short stacking energy: -280.166 Base-Backbone interact. energy: -0.816 local terms energy: -317.710551 where: bonds (distance) C4'-P energy: -63.008 bonds (distance) P-C4' energy: -69.017 flat angles C4'-P-C4' energy: -76.958 flat angles P-C4'-P energy: -38.681 tors. eta vs tors. theta energy: -70.045 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: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -744.485001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.485001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.485001 (E_RNA) where: Base-Base interactions energy: -447.895 where: short stacking energy: -219.945 Base-Backbone interact. energy: 0.035 local terms energy: -296.625006 where: bonds (distance) C4'-P energy: -72.491 bonds (distance) P-C4' energy: -53.714 flat angles C4'-P-C4' energy: -77.387 flat angles P-C4'-P energy: -37.075 tors. eta vs tors. theta energy: -55.957 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: 5 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -647.218992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.218992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.218992 (E_RNA) where: Base-Base interactions energy: -366.490 where: short stacking energy: -178.723 Base-Backbone interact. energy: -2.101 local terms energy: -278.628248 where: bonds (distance) C4'-P energy: -67.656 bonds (distance) P-C4' energy: -72.594 flat angles C4'-P-C4' energy: -71.660 flat angles P-C4'-P energy: -40.758 tors. eta vs tors. theta energy: -25.960 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: 3 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -575.962953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.962953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.962953 (E_RNA) where: Base-Base interactions energy: -318.341 where: short stacking energy: -172.350 Base-Backbone interact. energy: -1.751 local terms energy: -255.870716 where: bonds (distance) C4'-P energy: -61.471 bonds (distance) P-C4' energy: -64.785 flat angles C4'-P-C4' energy: -57.742 flat angles P-C4'-P energy: -37.161 tors. eta vs tors. theta energy: -34.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -333.752215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.752215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.752215 (E_RNA) where: Base-Base interactions energy: -129.500 where: short stacking energy: -113.141 Base-Backbone interact. energy: 0.195 local terms energy: -204.446699 where: bonds (distance) C4'-P energy: -41.686 bonds (distance) P-C4' energy: -62.582 flat angles C4'-P-C4' energy: -72.499 flat angles P-C4'-P energy: -36.489 tors. eta vs tors. theta energy: 8.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1361.434326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.434326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.434326 (E_RNA) where: Base-Base interactions energy: -926.008 where: short stacking energy: -413.719 Base-Backbone interact. energy: -0.447 local terms energy: -434.978950 where: bonds (distance) C4'-P energy: -75.951 bonds (distance) P-C4' energy: -81.745 flat angles C4'-P-C4' energy: -93.626 flat angles P-C4'-P energy: -58.888 tors. eta vs tors. theta energy: -124.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1267.256318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.256318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.256318 (E_RNA) where: Base-Base interactions energy: -863.880 where: short stacking energy: -372.613 Base-Backbone interact. energy: -1.568 local terms energy: -401.807613 where: bonds (distance) C4'-P energy: -76.247 bonds (distance) P-C4' energy: -83.209 flat angles C4'-P-C4' energy: -84.389 flat angles P-C4'-P energy: -50.699 tors. eta vs tors. theta energy: -107.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1231.504130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.504130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.504130 (E_RNA) where: Base-Base interactions energy: -820.121 where: short stacking energy: -386.195 Base-Backbone interact. energy: 1.292 local terms energy: -412.675846 where: bonds (distance) C4'-P energy: -76.495 bonds (distance) P-C4' energy: -86.060 flat angles C4'-P-C4' energy: -76.314 flat angles P-C4'-P energy: -55.330 tors. eta vs tors. theta energy: -118.477 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: 4 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1168.971238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.971238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.971238 (E_RNA) where: Base-Base interactions energy: -755.834 where: short stacking energy: -328.491 Base-Backbone interact. energy: -1.162 local terms energy: -411.975234 where: bonds (distance) C4'-P energy: -66.350 bonds (distance) P-C4' energy: -81.400 flat angles C4'-P-C4' energy: -89.439 flat angles P-C4'-P energy: -68.621 tors. eta vs tors. theta energy: -106.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1081.096088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.096088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.096088 (E_RNA) where: Base-Base interactions energy: -718.792 where: short stacking energy: -313.638 Base-Backbone interact. energy: -2.180 local terms energy: -360.124013 where: bonds (distance) C4'-P energy: -72.548 bonds (distance) P-C4' energy: -69.771 flat angles C4'-P-C4' energy: -82.987 flat angles P-C4'-P energy: -54.340 tors. eta vs tors. theta energy: -80.478 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: 1 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -936.423933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.423933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.423933 (E_RNA) where: Base-Base interactions energy: -602.804 where: short stacking energy: -271.642 Base-Backbone interact. energy: -0.001 local terms energy: -333.618374 where: bonds (distance) C4'-P energy: -49.954 bonds (distance) P-C4' energy: -86.158 flat angles C4'-P-C4' energy: -84.926 flat angles P-C4'-P energy: -45.221 tors. eta vs tors. theta energy: -67.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -759.838374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.838374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.838374 (E_RNA) where: Base-Base interactions energy: -475.339 where: short stacking energy: -242.768 Base-Backbone interact. energy: 0.699 local terms energy: -285.197540 where: bonds (distance) C4'-P energy: -76.629 bonds (distance) P-C4' energy: -62.846 flat angles C4'-P-C4' energy: -58.427 flat angles P-C4'-P energy: -40.509 tors. eta vs tors. theta energy: -46.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -702.226328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.226328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.226328 (E_RNA) where: Base-Base interactions energy: -402.669 where: short stacking energy: -215.175 Base-Backbone interact. energy: 0.892 local terms energy: -300.449833 where: bonds (distance) C4'-P energy: -67.655 bonds (distance) P-C4' energy: -63.176 flat angles C4'-P-C4' energy: -77.447 flat angles P-C4'-P energy: -47.521 tors. eta vs tors. theta energy: -44.651 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: 3 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -587.287873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.287873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.287873 (E_RNA) where: Base-Base interactions energy: -313.017 where: short stacking energy: -169.569 Base-Backbone interact. energy: -0.432 local terms energy: -273.838929 where: bonds (distance) C4'-P energy: -74.567 bonds (distance) P-C4' energy: -71.901 flat angles C4'-P-C4' energy: -54.751 flat angles P-C4'-P energy: -42.161 tors. eta vs tors. theta energy: -30.459 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: 397 Temperature: 1.350000 Total energy: -335.585107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.585107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.585107 (E_RNA) where: Base-Base interactions energy: -121.687 where: short stacking energy: -89.392 Base-Backbone interact. energy: -2.992 local terms energy: -210.905776 where: bonds (distance) C4'-P energy: -54.371 bonds (distance) P-C4' energy: -78.143 flat angles C4'-P-C4' energy: -49.574 flat angles P-C4'-P energy: -35.425 tors. eta vs tors. theta energy: 6.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1365.547673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.547673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.547673 (E_RNA) where: Base-Base interactions energy: -923.608 where: short stacking energy: -421.448 Base-Backbone interact. energy: -0.715 local terms energy: -441.224033 where: bonds (distance) C4'-P energy: -81.104 bonds (distance) P-C4' energy: -80.411 flat angles C4'-P-C4' energy: -86.827 flat angles P-C4'-P energy: -63.515 tors. eta vs tors. theta energy: -129.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1279.021480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.021480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.021480 (E_RNA) where: Base-Base interactions energy: -864.852 where: short stacking energy: -377.090 Base-Backbone interact. energy: -1.278 local terms energy: -412.891632 where: bonds (distance) C4'-P energy: -65.219 bonds (distance) P-C4' energy: -92.032 flat angles C4'-P-C4' energy: -91.360 flat angles P-C4'-P energy: -61.221 tors. eta vs tors. theta energy: -103.060 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: 3, replica: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1228.234148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.234148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.234148 (E_RNA) where: Base-Base interactions energy: -804.260 where: short stacking energy: -371.227 Base-Backbone interact. energy: -0.241 local terms energy: -423.733023 where: bonds (distance) C4'-P energy: -78.558 bonds (distance) P-C4' energy: -77.713 flat angles C4'-P-C4' energy: -84.085 flat angles P-C4'-P energy: -64.825 tors. eta vs tors. theta energy: -118.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1172.726004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.726004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.726004 (E_RNA) where: Base-Base interactions energy: -785.044 where: short stacking energy: -358.008 Base-Backbone interact. energy: 0.154 local terms energy: -387.835349 where: bonds (distance) C4'-P energy: -68.829 bonds (distance) P-C4' energy: -82.813 flat angles C4'-P-C4' energy: -75.068 flat angles P-C4'-P energy: -54.529 tors. eta vs tors. theta energy: -106.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1058.886848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.886848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.886848 (E_RNA) where: Base-Base interactions energy: -695.038 where: short stacking energy: -300.759 Base-Backbone interact. energy: -2.795 local terms energy: -361.053439 where: bonds (distance) C4'-P energy: -71.407 bonds (distance) P-C4' energy: -76.724 flat angles C4'-P-C4' energy: -86.187 flat angles P-C4'-P energy: -55.056 tors. eta vs tors. theta energy: -71.680 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: 6, replica: 1 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -958.411224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.411224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.411224 (E_RNA) where: Base-Base interactions energy: -635.095 where: short stacking energy: -307.096 Base-Backbone interact. energy: -0.380 local terms energy: -322.936183 where: bonds (distance) C4'-P energy: -67.363 bonds (distance) P-C4' energy: -64.276 flat angles C4'-P-C4' energy: -75.825 flat angles P-C4'-P energy: -38.018 tors. eta vs tors. theta energy: -77.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -766.739168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.739168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.739168 (E_RNA) where: Base-Base interactions energy: -464.567 where: short stacking energy: -217.972 Base-Backbone interact. energy: 1.671 local terms energy: -303.843695 where: bonds (distance) C4'-P energy: -63.991 bonds (distance) P-C4' energy: -75.277 flat angles C4'-P-C4' energy: -73.439 flat angles P-C4'-P energy: -40.069 tors. eta vs tors. theta energy: -51.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -649.732942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.732942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.732942 (E_RNA) where: Base-Base interactions energy: -398.381 where: short stacking energy: -183.269 Base-Backbone interact. energy: 1.450 local terms energy: -252.801486 where: bonds (distance) C4'-P energy: -57.203 bonds (distance) P-C4' energy: -70.095 flat angles C4'-P-C4' energy: -60.091 flat angles P-C4'-P energy: -36.668 tors. eta vs tors. theta energy: -28.744 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: 398 Temperature: 1.300000 Total energy: -550.906095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.906095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.906095 (E_RNA) where: Base-Base interactions energy: -294.501 where: short stacking energy: -162.522 Base-Backbone interact. energy: 1.716 local terms energy: -258.121341 where: bonds (distance) C4'-P energy: -55.450 bonds (distance) P-C4' energy: -73.609 flat angles C4'-P-C4' energy: -64.355 flat angles P-C4'-P energy: -43.227 tors. eta vs tors. theta energy: -21.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -317.698181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.698181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.698181 (E_RNA) where: Base-Base interactions energy: -120.270 where: short stacking energy: -107.430 Base-Backbone interact. energy: 2.265 local terms energy: -199.692892 where: bonds (distance) C4'-P energy: -67.206 bonds (distance) P-C4' energy: -70.693 flat angles C4'-P-C4' energy: -42.503 flat angles P-C4'-P energy: -33.736 tors. eta vs tors. theta energy: 14.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1356.656098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.656098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.656098 (E_RNA) where: Base-Base interactions energy: -928.121 where: short stacking energy: -395.126 Base-Backbone interact. energy: -0.966 local terms energy: -427.569543 where: bonds (distance) C4'-P energy: -66.001 bonds (distance) P-C4' energy: -81.620 flat angles C4'-P-C4' energy: -92.213 flat angles P-C4'-P energy: -67.666 tors. eta vs tors. theta energy: -120.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1290.313422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.313422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.313422 (E_RNA) where: Base-Base interactions energy: -869.003 where: short stacking energy: -380.067 Base-Backbone interact. energy: -1.751 local terms energy: -419.559295 where: bonds (distance) C4'-P energy: -78.193 bonds (distance) P-C4' energy: -76.159 flat angles C4'-P-C4' energy: -87.004 flat angles P-C4'-P energy: -64.980 tors. eta vs tors. theta energy: -113.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1204.469028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.469028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.469028 (E_RNA) where: Base-Base interactions energy: -801.167 where: short stacking energy: -383.951 Base-Backbone interact. energy: -1.343 local terms energy: -401.958608 where: bonds (distance) C4'-P energy: -70.703 bonds (distance) P-C4' energy: -83.741 flat angles C4'-P-C4' energy: -88.852 flat angles P-C4'-P energy: -57.610 tors. eta vs tors. theta energy: -101.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1154.550858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.550858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.550858 (E_RNA) where: Base-Base interactions energy: -768.700 where: short stacking energy: -349.363 Base-Backbone interact. energy: 0.735 local terms energy: -386.585236 where: bonds (distance) C4'-P energy: -72.889 bonds (distance) P-C4' energy: -66.322 flat angles C4'-P-C4' energy: -95.709 flat angles P-C4'-P energy: -44.074 tors. eta vs tors. theta energy: -107.592 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: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1080.706009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.706009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.706009 (E_RNA) where: Base-Base interactions energy: -711.754 where: short stacking energy: -334.120 Base-Backbone interact. energy: 0.236 local terms energy: -369.187600 where: bonds (distance) C4'-P energy: -68.501 bonds (distance) P-C4' energy: -75.792 flat angles C4'-P-C4' energy: -85.438 flat angles P-C4'-P energy: -46.977 tors. eta vs tors. theta energy: -92.480 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: 1 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -996.327262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.327262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.327262 (E_RNA) where: Base-Base interactions energy: -640.514 where: short stacking energy: -301.364 Base-Backbone interact. energy: -1.420 local terms energy: -354.392955 where: bonds (distance) C4'-P energy: -66.202 bonds (distance) P-C4' energy: -81.132 flat angles C4'-P-C4' energy: -85.435 flat angles P-C4'-P energy: -52.611 tors. eta vs tors. theta energy: -69.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -796.653998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.653998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.653998 (E_RNA) where: Base-Base interactions energy: -490.235 where: short stacking energy: -236.401 Base-Backbone interact. energy: -1.866 local terms energy: -304.553124 where: bonds (distance) C4'-P energy: -64.457 bonds (distance) P-C4' energy: -71.670 flat angles C4'-P-C4' energy: -73.274 flat angles P-C4'-P energy: -45.156 tors. eta vs tors. theta energy: -49.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -640.360801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.360801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.360801 (E_RNA) where: Base-Base interactions energy: -365.109 where: short stacking energy: -195.635 Base-Backbone interact. energy: 0.538 local terms energy: -275.789643 where: bonds (distance) C4'-P energy: -71.129 bonds (distance) P-C4' energy: -64.386 flat angles C4'-P-C4' energy: -72.195 flat angles P-C4'-P energy: -38.436 tors. eta vs tors. theta energy: -29.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -533.867443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.867443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.867443 (E_RNA) where: Base-Base interactions energy: -282.140 where: short stacking energy: -167.925 Base-Backbone interact. energy: 1.166 local terms energy: -252.893595 where: bonds (distance) C4'-P energy: -73.046 bonds (distance) P-C4' energy: -67.910 flat angles C4'-P-C4' energy: -55.602 flat angles P-C4'-P energy: -26.917 tors. eta vs tors. theta energy: -29.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -335.603350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.603350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.603350 (E_RNA) where: Base-Base interactions energy: -129.259 where: short stacking energy: -100.770 Base-Backbone interact. energy: 3.647 local terms energy: -209.990759 where: bonds (distance) C4'-P energy: -69.234 bonds (distance) P-C4' energy: -62.485 flat angles C4'-P-C4' energy: -59.927 flat angles P-C4'-P energy: -34.453 tors. eta vs tors. theta energy: 16.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1372.583339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.583339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.583339 (E_RNA) where: Base-Base interactions energy: -934.375 where: short stacking energy: -423.000 Base-Backbone interact. energy: -0.510 local terms energy: -437.698908 where: bonds (distance) C4'-P energy: -74.121 bonds (distance) P-C4' energy: -80.241 flat angles C4'-P-C4' energy: -91.509 flat angles P-C4'-P energy: -66.986 tors. eta vs tors. theta energy: -124.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1281.894800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.894800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.894800 (E_RNA) where: Base-Base interactions energy: -864.811 where: short stacking energy: -390.059 Base-Backbone interact. energy: 0.700 local terms energy: -417.783192 where: bonds (distance) C4'-P energy: -82.097 bonds (distance) P-C4' energy: -75.251 flat angles C4'-P-C4' energy: -91.228 flat angles P-C4'-P energy: -54.402 tors. eta vs tors. theta energy: -114.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1193.438496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.438496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.438496 (E_RNA) where: Base-Base interactions energy: -794.579 where: short stacking energy: -361.181 Base-Backbone interact. energy: -0.553 local terms energy: -398.306154 where: bonds (distance) C4'-P energy: -66.784 bonds (distance) P-C4' energy: -79.188 flat angles C4'-P-C4' energy: -92.499 flat angles P-C4'-P energy: -52.072 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: 4, replica: 4 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1154.860833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.860833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.860833 (E_RNA) where: Base-Base interactions energy: -766.271 where: short stacking energy: -349.460 Base-Backbone interact. energy: -3.446 local terms energy: -385.143655 where: bonds (distance) C4'-P energy: -62.238 bonds (distance) P-C4' energy: -65.935 flat angles C4'-P-C4' energy: -87.935 flat angles P-C4'-P energy: -57.575 tors. eta vs tors. theta energy: -111.461 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: 2 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1075.780173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.780173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.780173 (E_RNA) where: Base-Base interactions energy: -708.114 where: short stacking energy: -323.494 Base-Backbone interact. energy: -1.759 local terms energy: -365.906796 where: bonds (distance) C4'-P energy: -69.410 bonds (distance) P-C4' energy: -78.033 flat angles C4'-P-C4' energy: -76.751 flat angles P-C4'-P energy: -51.899 tors. eta vs tors. theta energy: -89.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -999.055423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.055423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.055423 (E_RNA) where: Base-Base interactions energy: -656.287 where: short stacking energy: -304.688 Base-Backbone interact. energy: -1.010 local terms energy: -341.758684 where: bonds (distance) C4'-P energy: -61.075 bonds (distance) P-C4' energy: -76.892 flat angles C4'-P-C4' energy: -80.610 flat angles P-C4'-P energy: -44.734 tors. eta vs tors. theta energy: -78.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -782.628693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.628693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.628693 (E_RNA) where: Base-Base interactions energy: -486.114 where: short stacking energy: -237.873 Base-Backbone interact. energy: -1.314 local terms energy: -295.200198 where: bonds (distance) C4'-P energy: -68.327 bonds (distance) P-C4' energy: -61.761 flat angles C4'-P-C4' energy: -78.366 flat angles P-C4'-P energy: -35.267 tors. eta vs tors. theta energy: -51.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -633.356499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.356499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.356499 (E_RNA) where: Base-Base interactions energy: -342.045 where: short stacking energy: -188.509 Base-Backbone interact. energy: -1.744 local terms energy: -289.567757 where: bonds (distance) C4'-P energy: -79.379 bonds (distance) P-C4' energy: -72.454 flat angles C4'-P-C4' energy: -64.962 flat angles P-C4'-P energy: -37.423 tors. eta vs tors. theta energy: -35.350 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: 3 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -534.885793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.885793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.885793 (E_RNA) where: Base-Base interactions energy: -284.390 where: short stacking energy: -143.695 Base-Backbone interact. energy: 0.650 local terms energy: -251.146043 where: bonds (distance) C4'-P energy: -75.773 bonds (distance) P-C4' energy: -73.285 flat angles C4'-P-C4' energy: -53.449 flat angles P-C4'-P energy: -38.763 tors. eta vs tors. theta energy: -9.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -360.204421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.204421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.204421 (E_RNA) where: Base-Base interactions energy: -149.242 where: short stacking energy: -112.176 Base-Backbone interact. energy: 2.020 local terms energy: -212.981992 where: bonds (distance) C4'-P energy: -67.899 bonds (distance) P-C4' energy: -63.273 flat angles C4'-P-C4' energy: -50.399 flat angles P-C4'-P energy: -39.232 tors. eta vs tors. theta energy: 7.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1376.235063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.235063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.235063 (E_RNA) where: Base-Base interactions energy: -906.768 where: short stacking energy: -404.216 Base-Backbone interact. energy: -0.604 local terms energy: -468.863045 where: bonds (distance) C4'-P energy: -79.795 bonds (distance) P-C4' energy: -93.943 flat angles C4'-P-C4' energy: -98.407 flat angles P-C4'-P energy: -62.497 tors. eta vs tors. theta energy: -134.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1279.424774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.424774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.424774 (E_RNA) where: Base-Base interactions energy: -859.165 where: short stacking energy: -388.021 Base-Backbone interact. energy: -1.334 local terms energy: -418.925578 where: bonds (distance) C4'-P energy: -75.817 bonds (distance) P-C4' energy: -78.402 flat angles C4'-P-C4' energy: -90.440 flat angles P-C4'-P energy: -54.276 tors. eta vs tors. theta energy: -119.992 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: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1189.722882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.722882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.722882 (E_RNA) where: Base-Base interactions energy: -795.397 where: short stacking energy: -384.954 Base-Backbone interact. energy: 0.240 local terms energy: -394.566197 where: bonds (distance) C4'-P energy: -57.110 bonds (distance) P-C4' energy: -78.567 flat angles C4'-P-C4' energy: -90.326 flat angles P-C4'-P energy: -56.404 tors. eta vs tors. theta energy: -112.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1157.378545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.378545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.378545 (E_RNA) where: Base-Base interactions energy: -783.433 where: short stacking energy: -349.464 Base-Backbone interact. energy: -1.159 local terms energy: -372.786905 where: bonds (distance) C4'-P energy: -66.946 bonds (distance) P-C4' energy: -79.957 flat angles C4'-P-C4' energy: -73.365 flat angles P-C4'-P energy: -55.779 tors. eta vs tors. theta energy: -96.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1075.236653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.236653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.236653 (E_RNA) where: Base-Base interactions energy: -700.813 where: short stacking energy: -325.396 Base-Backbone interact. energy: -0.789 local terms energy: -373.634888 where: bonds (distance) C4'-P energy: -76.942 bonds (distance) P-C4' energy: -71.126 flat angles C4'-P-C4' energy: -80.244 flat angles P-C4'-P energy: -58.796 tors. eta vs tors. theta energy: -86.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1019.765317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.765317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.765317 (E_RNA) where: Base-Base interactions energy: -666.079 where: short stacking energy: -310.434 Base-Backbone interact. energy: -0.969 local terms energy: -352.716973 where: bonds (distance) C4'-P energy: -64.821 bonds (distance) P-C4' energy: -70.643 flat angles C4'-P-C4' energy: -83.089 flat angles P-C4'-P energy: -56.175 tors. eta vs tors. theta energy: -77.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -798.015907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.015907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.015907 (E_RNA) where: Base-Base interactions energy: -487.600 where: short stacking energy: -252.892 Base-Backbone interact. energy: -1.835 local terms energy: -308.580728 where: bonds (distance) C4'-P energy: -62.207 bonds (distance) P-C4' energy: -68.652 flat angles C4'-P-C4' energy: -68.381 flat angles P-C4'-P energy: -48.115 tors. eta vs tors. theta energy: -61.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -617.092886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.092886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.092886 (E_RNA) where: Base-Base interactions energy: -334.509 where: short stacking energy: -164.732 Base-Backbone interact. energy: -0.131 local terms energy: -282.453151 where: bonds (distance) C4'-P energy: -65.097 bonds (distance) P-C4' energy: -74.637 flat angles C4'-P-C4' energy: -66.964 flat angles P-C4'-P energy: -38.091 tors. eta vs tors. theta energy: -37.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -516.541869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.541869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.541869 (E_RNA) where: Base-Base interactions energy: -280.553 where: short stacking energy: -148.127 Base-Backbone interact. energy: 2.597 local terms energy: -238.586385 where: bonds (distance) C4'-P energy: -54.782 bonds (distance) P-C4' energy: -61.491 flat angles C4'-P-C4' energy: -63.028 flat angles P-C4'-P energy: -47.961 tors. eta vs tors. theta energy: -11.324 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: 8 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -341.416228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.416228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.416228 (E_RNA) where: Base-Base interactions energy: -134.961 where: short stacking energy: -110.954 Base-Backbone interact. energy: 3.354 local terms energy: -209.809834 where: bonds (distance) C4'-P energy: -68.279 bonds (distance) P-C4' energy: -53.885 flat angles C4'-P-C4' energy: -61.346 flat angles P-C4'-P energy: -25.455 tors. eta vs tors. theta energy: -0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1387.176905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.176905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.176905 (E_RNA) where: Base-Base interactions energy: -950.804 where: short stacking energy: -420.442 Base-Backbone interact. energy: 1.440 local terms energy: -437.812984 where: bonds (distance) C4'-P energy: -74.999 bonds (distance) P-C4' energy: -78.784 flat angles C4'-P-C4' energy: -93.109 flat angles P-C4'-P energy: -59.752 tors. eta vs tors. theta energy: -131.168 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: 2, replica: 7 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1308.997857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.997857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.997857 (E_RNA) where: Base-Base interactions energy: -894.695 where: short stacking energy: -390.585 Base-Backbone interact. energy: 0.881 local terms energy: -415.184478 where: bonds (distance) C4'-P energy: -83.233 bonds (distance) P-C4' energy: -79.671 flat angles C4'-P-C4' energy: -86.449 flat angles P-C4'-P energy: -53.907 tors. eta vs tors. theta energy: -111.925 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: 9 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1225.334484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.334484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.334484 (E_RNA) where: Base-Base interactions energy: -813.883 where: short stacking energy: -384.739 Base-Backbone interact. energy: -1.646 local terms energy: -409.805672 where: bonds (distance) C4'-P energy: -70.750 bonds (distance) P-C4' energy: -83.828 flat angles C4'-P-C4' energy: -85.101 flat angles P-C4'-P energy: -60.432 tors. eta vs tors. theta energy: -109.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1132.715892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.715892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.715892 (E_RNA) where: Base-Base interactions energy: -757.835 where: short stacking energy: -339.991 Base-Backbone interact. energy: 0.063 local terms energy: -374.944573 where: bonds (distance) C4'-P energy: -68.226 bonds (distance) P-C4' energy: -82.278 flat angles C4'-P-C4' energy: -78.515 flat angles P-C4'-P energy: -52.059 tors. eta vs tors. theta energy: -93.868 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: 5, replica: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1044.682936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.682936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.682936 (E_RNA) where: Base-Base interactions energy: -692.629 where: short stacking energy: -316.232 Base-Backbone interact. energy: -1.558 local terms energy: -350.495830 where: bonds (distance) C4'-P energy: -79.019 bonds (distance) P-C4' energy: -72.267 flat angles C4'-P-C4' energy: -75.043 flat angles P-C4'-P energy: -39.391 tors. eta vs tors. theta energy: -84.776 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: 6, replica: 1 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1024.168937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.168937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.168937 (E_RNA) where: Base-Base interactions energy: -668.091 where: short stacking energy: -294.345 Base-Backbone interact. energy: -1.936 local terms energy: -354.141893 where: bonds (distance) C4'-P energy: -75.132 bonds (distance) P-C4' energy: -69.819 flat angles C4'-P-C4' energy: -72.380 flat angles P-C4'-P energy: -49.709 tors. eta vs tors. theta energy: -87.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -769.266405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.266405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.266405 (E_RNA) where: Base-Base interactions energy: -464.716 where: short stacking energy: -231.722 Base-Backbone interact. energy: -0.002 local terms energy: -304.548943 where: bonds (distance) C4'-P energy: -72.966 bonds (distance) P-C4' energy: -66.279 flat angles C4'-P-C4' energy: -78.996 flat angles P-C4'-P energy: -40.850 tors. eta vs tors. theta energy: -45.458 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: 5 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -613.172773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.172773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.172773 (E_RNA) where: Base-Base interactions energy: -358.054 where: short stacking energy: -190.040 Base-Backbone interact. energy: -1.539 local terms energy: -253.579568 where: bonds (distance) C4'-P energy: -71.958 bonds (distance) P-C4' energy: -69.550 flat angles C4'-P-C4' energy: -53.500 flat angles P-C4'-P energy: -40.475 tors. eta vs tors. theta energy: -18.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -515.734218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.734218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.734218 (E_RNA) where: Base-Base interactions energy: -278.311 where: short stacking energy: -149.580 Base-Backbone interact. energy: 5.276 local terms energy: -242.699697 where: bonds (distance) C4'-P energy: -57.057 bonds (distance) P-C4' energy: -70.881 flat angles C4'-P-C4' energy: -64.635 flat angles P-C4'-P energy: -37.814 tors. eta vs tors. theta energy: -12.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -325.247693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.247693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.247693 (E_RNA) where: Base-Base interactions energy: -111.014 where: short stacking energy: -89.617 Base-Backbone interact. energy: -0.307 local terms energy: -213.926803 where: bonds (distance) C4'-P energy: -61.669 bonds (distance) P-C4' energy: -71.042 flat angles C4'-P-C4' energy: -60.967 flat angles P-C4'-P energy: -36.391 tors. eta vs tors. theta energy: 16.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1374.233997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.233997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.233997 (E_RNA) where: Base-Base interactions energy: -924.475 where: short stacking energy: -419.197 Base-Backbone interact. energy: -0.364 local terms energy: -449.395639 where: bonds (distance) C4'-P energy: -79.639 bonds (distance) P-C4' energy: -83.198 flat angles C4'-P-C4' energy: -94.348 flat angles P-C4'-P energy: -62.523 tors. eta vs tors. theta energy: -129.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1287.133035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.133035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.133035 (E_RNA) where: Base-Base interactions energy: -875.436 where: short stacking energy: -391.418 Base-Backbone interact. energy: -0.063 local terms energy: -411.634467 where: bonds (distance) C4'-P energy: -81.217 bonds (distance) P-C4' energy: -87.742 flat angles C4'-P-C4' energy: -80.327 flat angles P-C4'-P energy: -56.638 tors. eta vs tors. theta energy: -105.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1223.445992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.445992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.445992 (E_RNA) where: Base-Base interactions energy: -810.072 where: short stacking energy: -369.349 Base-Backbone interact. energy: -1.493 local terms energy: -411.880566 where: bonds (distance) C4'-P energy: -81.441 bonds (distance) P-C4' energy: -69.107 flat angles C4'-P-C4' energy: -86.532 flat angles P-C4'-P energy: -61.735 tors. eta vs tors. theta energy: -113.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1170.779397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.779397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.779397 (E_RNA) where: Base-Base interactions energy: -773.996 where: short stacking energy: -353.226 Base-Backbone interact. energy: -0.901 local terms energy: -395.881973 where: bonds (distance) C4'-P energy: -68.693 bonds (distance) P-C4' energy: -78.663 flat angles C4'-P-C4' energy: -75.345 flat angles P-C4'-P energy: -60.505 tors. eta vs tors. theta energy: -112.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1037.325019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.325019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.325019 (E_RNA) where: Base-Base interactions energy: -676.965 where: short stacking energy: -298.380 Base-Backbone interact. energy: -0.960 local terms energy: -359.400543 where: bonds (distance) C4'-P energy: -79.389 bonds (distance) P-C4' energy: -71.689 flat angles C4'-P-C4' energy: -73.746 flat angles P-C4'-P energy: -61.094 tors. eta vs tors. theta energy: -73.483 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: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1031.483272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.483272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.483272 (E_RNA) where: Base-Base interactions energy: -671.302 where: short stacking energy: -303.542 Base-Backbone interact. energy: -0.025 local terms energy: -360.155820 where: bonds (distance) C4'-P energy: -83.569 bonds (distance) P-C4' energy: -64.003 flat angles C4'-P-C4' energy: -77.076 flat angles P-C4'-P energy: -52.244 tors. eta vs tors. theta energy: -83.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -807.958269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.958269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.958269 (E_RNA) where: Base-Base interactions energy: -487.287 where: short stacking energy: -247.451 Base-Backbone interact. energy: -1.409 local terms energy: -319.262599 where: bonds (distance) C4'-P energy: -77.225 bonds (distance) P-C4' energy: -72.489 flat angles C4'-P-C4' energy: -68.368 flat angles P-C4'-P energy: -51.905 tors. eta vs tors. theta energy: -49.276 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: 8, replica: 5 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -612.776445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.776445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.776445 (E_RNA) where: Base-Base interactions energy: -341.146 where: short stacking energy: -171.418 Base-Backbone interact. energy: -2.526 local terms energy: -269.104749 where: bonds (distance) C4'-P energy: -59.138 bonds (distance) P-C4' energy: -70.149 flat angles C4'-P-C4' energy: -61.802 flat angles P-C4'-P energy: -45.574 tors. eta vs tors. theta energy: -32.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -511.611237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.611237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.611237 (E_RNA) where: Base-Base interactions energy: -265.809 where: short stacking energy: -151.449 Base-Backbone interact. energy: 1.094 local terms energy: -246.896053 where: bonds (distance) C4'-P energy: -68.303 bonds (distance) P-C4' energy: -73.158 flat angles C4'-P-C4' energy: -68.014 flat angles P-C4'-P energy: -29.021 tors. eta vs tors. theta energy: -8.401 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: 403 Temperature: 1.350000 Total energy: -364.971378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.971378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.971378 (E_RNA) where: Base-Base interactions energy: -145.822 where: short stacking energy: -108.384 Base-Backbone interact. energy: 1.242 local terms energy: -220.391994 where: bonds (distance) C4'-P energy: -66.419 bonds (distance) P-C4' energy: -64.888 flat angles C4'-P-C4' energy: -67.486 flat angles P-C4'-P energy: -27.648 tors. eta vs tors. theta energy: 6.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1378.069293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.069293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.069293 (E_RNA) where: Base-Base interactions energy: -929.896 where: short stacking energy: -432.470 Base-Backbone interact. energy: -1.489 local terms energy: -446.685244 where: bonds (distance) C4'-P energy: -78.892 bonds (distance) P-C4' energy: -72.182 flat angles C4'-P-C4' energy: -95.722 flat angles P-C4'-P energy: -63.710 tors. eta vs tors. theta energy: -136.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1299.830533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.830533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.830533 (E_RNA) where: Base-Base interactions energy: -887.972 where: short stacking energy: -376.479 Base-Backbone interact. energy: -2.824 local terms energy: -409.034347 where: bonds (distance) C4'-P energy: -84.948 bonds (distance) P-C4' energy: -84.585 flat angles C4'-P-C4' energy: -78.881 flat angles P-C4'-P energy: -59.685 tors. eta vs tors. theta energy: -100.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1196.279202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.279202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.279202 (E_RNA) where: Base-Base interactions energy: -776.862 where: short stacking energy: -380.489 Base-Backbone interact. energy: -0.677 local terms energy: -418.739531 where: bonds (distance) C4'-P energy: -72.670 bonds (distance) P-C4' energy: -73.469 flat angles C4'-P-C4' energy: -93.719 flat angles P-C4'-P energy: -64.114 tors. eta vs tors. theta energy: -114.769 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: 404 Temperature: 1.050000 Total energy: -1178.534851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.534851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.534851 (E_RNA) where: Base-Base interactions energy: -767.989 where: short stacking energy: -343.356 Base-Backbone interact. energy: -1.589 local terms energy: -408.957243 where: bonds (distance) C4'-P energy: -78.893 bonds (distance) P-C4' energy: -84.982 flat angles C4'-P-C4' energy: -78.269 flat angles P-C4'-P energy: -55.864 tors. eta vs tors. theta energy: -110.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1040.146485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.146485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.146485 (E_RNA) where: Base-Base interactions energy: -702.678 where: short stacking energy: -320.827 Base-Backbone interact. energy: 4.828 local terms energy: -342.296326 where: bonds (distance) C4'-P energy: -60.275 bonds (distance) P-C4' energy: -70.555 flat angles C4'-P-C4' energy: -78.514 flat angles P-C4'-P energy: -47.392 tors. eta vs tors. theta energy: -85.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1000.493177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.493177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.493177 (E_RNA) where: Base-Base interactions energy: -663.585 where: short stacking energy: -299.780 Base-Backbone interact. energy: -1.407 local terms energy: -335.501455 where: bonds (distance) C4'-P energy: -61.928 bonds (distance) P-C4' energy: -76.014 flat angles C4'-P-C4' energy: -80.120 flat angles P-C4'-P energy: -48.172 tors. eta vs tors. theta energy: -69.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -815.587192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.587192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.587192 (E_RNA) where: Base-Base interactions energy: -514.181 where: short stacking energy: -233.907 Base-Backbone interact. energy: 0.211 local terms energy: -301.617833 where: bonds (distance) C4'-P energy: -69.501 bonds (distance) P-C4' energy: -72.213 flat angles C4'-P-C4' energy: -63.210 flat angles P-C4'-P energy: -42.705 tors. eta vs tors. theta energy: -53.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -635.668267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.668267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.668267 (E_RNA) where: Base-Base interactions energy: -367.687 where: short stacking energy: -178.842 Base-Backbone interact. energy: 0.182 local terms energy: -268.162864 where: bonds (distance) C4'-P energy: -74.313 bonds (distance) P-C4' energy: -72.542 flat angles C4'-P-C4' energy: -63.357 flat angles P-C4'-P energy: -38.834 tors. eta vs tors. theta energy: -19.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -507.997634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.997634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.997634 (E_RNA) where: Base-Base interactions energy: -267.384 where: short stacking energy: -161.000 Base-Backbone interact. energy: -0.062 local terms energy: -240.551987 where: bonds (distance) C4'-P energy: -59.901 bonds (distance) P-C4' energy: -67.562 flat angles C4'-P-C4' energy: -64.800 flat angles P-C4'-P energy: -35.205 tors. eta vs tors. theta energy: -13.085 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: 404 Temperature: 1.350000 Total energy: -361.945712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.945712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.945712 (E_RNA) where: Base-Base interactions energy: -157.240 where: short stacking energy: -114.803 Base-Backbone interact. energy: 3.147 local terms energy: -207.853409 where: bonds (distance) C4'-P energy: -68.377 bonds (distance) P-C4' energy: -64.661 flat angles C4'-P-C4' energy: -50.509 flat angles P-C4'-P energy: -34.366 tors. eta vs tors. theta energy: 10.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1364.476186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.476186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.476186 (E_RNA) where: Base-Base interactions energy: -935.172 where: short stacking energy: -428.437 Base-Backbone interact. energy: -0.570 local terms energy: -428.733807 where: bonds (distance) C4'-P energy: -74.812 bonds (distance) P-C4' energy: -72.696 flat angles C4'-P-C4' energy: -87.830 flat angles P-C4'-P energy: -64.529 tors. eta vs tors. theta energy: -128.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1295.211280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.211280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.211280 (E_RNA) where: Base-Base interactions energy: -889.225 where: short stacking energy: -382.984 Base-Backbone interact. energy: -0.908 local terms energy: -405.078226 where: bonds (distance) C4'-P energy: -77.370 bonds (distance) P-C4' energy: -85.716 flat angles C4'-P-C4' energy: -81.086 flat angles P-C4'-P energy: -54.962 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: 3, replica: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1178.500080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.500080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.500080 (E_RNA) where: Base-Base interactions energy: -765.463 where: short stacking energy: -364.378 Base-Backbone interact. energy: -0.451 local terms energy: -412.586291 where: bonds (distance) C4'-P energy: -76.997 bonds (distance) P-C4' energy: -88.936 flat angles C4'-P-C4' energy: -83.728 flat angles P-C4'-P energy: -55.849 tors. eta vs tors. theta energy: -107.076 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: 4 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1146.312003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.312003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.312003 (E_RNA) where: Base-Base interactions energy: -758.808 where: short stacking energy: -333.478 Base-Backbone interact. energy: -1.584 local terms energy: -385.920128 where: bonds (distance) C4'-P energy: -75.979 bonds (distance) P-C4' energy: -72.440 flat angles C4'-P-C4' energy: -84.094 flat angles P-C4'-P energy: -56.251 tors. eta vs tors. theta energy: -97.157 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: 1 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -984.956443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.956443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.956443 (E_RNA) where: Base-Base interactions energy: -635.471 where: short stacking energy: -289.988 Base-Backbone interact. energy: -1.358 local terms energy: -348.126983 where: bonds (distance) C4'-P energy: -74.365 bonds (distance) P-C4' energy: -74.088 flat angles C4'-P-C4' energy: -67.980 flat angles P-C4'-P energy: -54.492 tors. eta vs tors. theta energy: -77.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -992.488409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.488409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.488409 (E_RNA) where: Base-Base interactions energy: -652.906 where: short stacking energy: -302.512 Base-Backbone interact. energy: 0.336 local terms energy: -339.918299 where: bonds (distance) C4'-P energy: -64.417 bonds (distance) P-C4' energy: -75.453 flat angles C4'-P-C4' energy: -75.180 flat angles P-C4'-P energy: -45.234 tors. eta vs tors. theta energy: -79.634 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: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -780.342676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.342676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.342676 (E_RNA) where: Base-Base interactions energy: -485.099 where: short stacking energy: -231.827 Base-Backbone interact. energy: 2.182 local terms energy: -297.425847 where: bonds (distance) C4'-P energy: -75.158 bonds (distance) P-C4' energy: -76.506 flat angles C4'-P-C4' energy: -63.145 flat angles P-C4'-P energy: -34.495 tors. eta vs tors. theta energy: -48.123 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: 5 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -621.220742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.220742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.220742 (E_RNA) where: Base-Base interactions energy: -353.974 where: short stacking energy: -179.973 Base-Backbone interact. energy: 0.063 local terms energy: -267.309778 where: bonds (distance) C4'-P energy: -59.377 bonds (distance) P-C4' energy: -80.749 flat angles C4'-P-C4' energy: -52.796 flat angles P-C4'-P energy: -49.698 tors. eta vs tors. theta energy: -24.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -527.035005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.035005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.035005 (E_RNA) where: Base-Base interactions energy: -289.869 where: short stacking energy: -161.230 Base-Backbone interact. energy: 3.558 local terms energy: -240.724383 where: bonds (distance) C4'-P energy: -54.673 bonds (distance) P-C4' energy: -68.130 flat angles C4'-P-C4' energy: -70.012 flat angles P-C4'-P energy: -44.646 tors. eta vs tors. theta energy: -3.263 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: 8 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -376.191488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.191488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.191488 (E_RNA) where: Base-Base interactions energy: -153.283 where: short stacking energy: -99.339 Base-Backbone interact. energy: 4.623 local terms energy: -227.531416 where: bonds (distance) C4'-P energy: -73.589 bonds (distance) P-C4' energy: -63.385 flat angles C4'-P-C4' energy: -48.316 flat angles P-C4'-P energy: -34.124 tors. eta vs tors. theta energy: -8.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1366.226689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.226689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.226689 (E_RNA) where: Base-Base interactions energy: -926.740 where: short stacking energy: -420.060 Base-Backbone interact. energy: -0.975 local terms energy: -438.511649 where: bonds (distance) C4'-P energy: -83.653 bonds (distance) P-C4' energy: -80.326 flat angles C4'-P-C4' energy: -91.184 flat angles P-C4'-P energy: -53.986 tors. eta vs tors. theta energy: -129.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1297.544243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.544243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.544243 (E_RNA) where: Base-Base interactions energy: -900.291 where: short stacking energy: -372.277 Base-Backbone interact. energy: -1.576 local terms energy: -395.676655 where: bonds (distance) C4'-P energy: -65.605 bonds (distance) P-C4' energy: -83.474 flat angles C4'-P-C4' energy: -84.121 flat angles P-C4'-P energy: -56.922 tors. eta vs tors. theta energy: -105.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1230.422025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.422025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.422025 (E_RNA) where: Base-Base interactions energy: -831.491 where: short stacking energy: -391.366 Base-Backbone interact. energy: -0.934 local terms energy: -397.996829 where: bonds (distance) C4'-P energy: -85.309 bonds (distance) P-C4' energy: -67.047 flat angles C4'-P-C4' energy: -76.960 flat angles P-C4'-P energy: -52.492 tors. eta vs tors. theta energy: -116.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1148.931794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.931794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.931794 (E_RNA) where: Base-Base interactions energy: -767.643 where: short stacking energy: -345.717 Base-Backbone interact. energy: 2.022 local terms energy: -383.310380 where: bonds (distance) C4'-P energy: -76.408 bonds (distance) P-C4' energy: -81.688 flat angles C4'-P-C4' energy: -86.231 flat angles P-C4'-P energy: -50.653 tors. eta vs tors. theta energy: -88.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1033.356307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.356307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.356307 (E_RNA) where: Base-Base interactions energy: -674.375 where: short stacking energy: -300.784 Base-Backbone interact. energy: -2.113 local terms energy: -356.868632 where: bonds (distance) C4'-P energy: -62.978 bonds (distance) P-C4' energy: -79.416 flat angles C4'-P-C4' energy: -90.691 flat angles P-C4'-P energy: -51.521 tors. eta vs tors. theta energy: -72.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -962.918674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.918674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.918674 (E_RNA) where: Base-Base interactions energy: -642.164 where: short stacking energy: -292.314 Base-Backbone interact. energy: 1.316 local terms energy: -322.070562 where: bonds (distance) C4'-P energy: -56.968 bonds (distance) P-C4' energy: -62.839 flat angles C4'-P-C4' energy: -78.642 flat angles P-C4'-P energy: -43.783 tors. eta vs tors. theta energy: -79.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -798.067292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.067292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.067292 (E_RNA) where: Base-Base interactions energy: -508.487 where: short stacking energy: -239.939 Base-Backbone interact. energy: -1.415 local terms energy: -288.165292 where: bonds (distance) C4'-P energy: -58.531 bonds (distance) P-C4' energy: -78.672 flat angles C4'-P-C4' energy: -71.908 flat angles P-C4'-P energy: -34.587 tors. eta vs tors. theta energy: -44.468 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: 5 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -594.565413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.565413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.565413 (E_RNA) where: Base-Base interactions energy: -341.128 where: short stacking energy: -177.035 Base-Backbone interact. energy: 1.365 local terms energy: -254.802439 where: bonds (distance) C4'-P energy: -64.389 bonds (distance) P-C4' energy: -62.543 flat angles C4'-P-C4' energy: -66.159 flat angles P-C4'-P energy: -44.796 tors. eta vs tors. theta energy: -16.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -538.241600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.241600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.241600 (E_RNA) where: Base-Base interactions energy: -290.880 where: short stacking energy: -175.541 Base-Backbone interact. energy: -0.207 local terms energy: -247.154420 where: bonds (distance) C4'-P energy: -46.163 bonds (distance) P-C4' energy: -66.439 flat angles C4'-P-C4' energy: -69.552 flat angles P-C4'-P energy: -37.082 tors. eta vs tors. theta energy: -27.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -360.219250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.219250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.219250 (E_RNA) where: Base-Base interactions energy: -130.371 where: short stacking energy: -93.003 Base-Backbone interact. energy: -0.389 local terms energy: -229.458564 where: bonds (distance) C4'-P energy: -61.716 bonds (distance) P-C4' energy: -83.449 flat angles C4'-P-C4' energy: -57.455 flat angles P-C4'-P energy: -38.434 tors. eta vs tors. theta energy: 11.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1391.530463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.530463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.530463 (E_RNA) where: Base-Base interactions energy: -940.196 where: short stacking energy: -425.855 Base-Backbone interact. energy: -0.333 local terms energy: -451.001991 where: bonds (distance) C4'-P energy: -85.820 bonds (distance) P-C4' energy: -81.163 flat angles C4'-P-C4' energy: -96.248 flat angles P-C4'-P energy: -56.759 tors. eta vs tors. theta energy: -131.013 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: 7 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1261.382107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.382107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.382107 (E_RNA) where: Base-Base interactions energy: -876.354 where: short stacking energy: -367.072 Base-Backbone interact. energy: -1.458 local terms energy: -383.570606 where: bonds (distance) C4'-P energy: -78.489 bonds (distance) P-C4' energy: -74.756 flat angles C4'-P-C4' energy: -88.080 flat angles P-C4'-P energy: -49.078 tors. eta vs tors. theta energy: -93.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1221.435541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.435541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.435541 (E_RNA) where: Base-Base interactions energy: -810.470 where: short stacking energy: -397.399 Base-Backbone interact. energy: -2.230 local terms energy: -408.735479 where: bonds (distance) C4'-P energy: -77.495 bonds (distance) P-C4' energy: -68.632 flat angles C4'-P-C4' energy: -91.470 flat angles P-C4'-P energy: -58.570 tors. eta vs tors. theta energy: -112.569 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: 4 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1163.135547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.135547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.135547 (E_RNA) where: Base-Base interactions energy: -771.467 where: short stacking energy: -349.434 Base-Backbone interact. energy: -1.863 local terms energy: -389.805965 where: bonds (distance) C4'-P energy: -73.942 bonds (distance) P-C4' energy: -73.081 flat angles C4'-P-C4' energy: -87.657 flat angles P-C4'-P energy: -46.684 tors. eta vs tors. theta energy: -108.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1040.177777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.177777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.177777 (E_RNA) where: Base-Base interactions energy: -709.093 where: short stacking energy: -310.045 Base-Backbone interact. energy: 1.843 local terms energy: -332.927706 where: bonds (distance) C4'-P energy: -72.661 bonds (distance) P-C4' energy: -76.920 flat angles C4'-P-C4' energy: -71.398 flat angles P-C4'-P energy: -41.827 tors. eta vs tors. theta energy: -70.120 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: 1 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -958.713409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.713409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.713409 (E_RNA) where: Base-Base interactions energy: -597.219 where: short stacking energy: -282.357 Base-Backbone interact. energy: -1.244 local terms energy: -360.249847 where: bonds (distance) C4'-P energy: -82.912 bonds (distance) P-C4' energy: -62.536 flat angles C4'-P-C4' energy: -82.083 flat angles P-C4'-P energy: -59.916 tors. eta vs tors. theta energy: -72.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -808.550521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.550521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.550521 (E_RNA) where: Base-Base interactions energy: -498.897 where: short stacking energy: -258.587 Base-Backbone interact. energy: 0.702 local terms energy: -310.355215 where: bonds (distance) C4'-P energy: -52.316 bonds (distance) P-C4' energy: -70.790 flat angles C4'-P-C4' energy: -76.956 flat angles P-C4'-P energy: -57.935 tors. eta vs tors. theta energy: -52.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -608.639657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.639657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.639657 (E_RNA) where: Base-Base interactions energy: -336.999 where: short stacking energy: -177.422 Base-Backbone interact. energy: -1.544 local terms energy: -270.096850 where: bonds (distance) C4'-P energy: -56.833 bonds (distance) P-C4' energy: -78.988 flat angles C4'-P-C4' energy: -75.742 flat angles P-C4'-P energy: -39.864 tors. eta vs tors. theta energy: -18.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -511.068419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.068419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.068419 (E_RNA) where: Base-Base interactions energy: -275.798 where: short stacking energy: -154.765 Base-Backbone interact. energy: -1.788 local terms energy: -233.482023 where: bonds (distance) C4'-P energy: -63.390 bonds (distance) P-C4' energy: -72.734 flat angles C4'-P-C4' energy: -38.775 flat angles P-C4'-P energy: -45.804 tors. eta vs tors. theta energy: -12.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -360.634501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.634501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.634501 (E_RNA) where: Base-Base interactions energy: -150.078 where: short stacking energy: -107.910 Base-Backbone interact. energy: -1.772 local terms energy: -208.784520 where: bonds (distance) C4'-P energy: -61.624 bonds (distance) P-C4' energy: -75.594 flat angles C4'-P-C4' energy: -61.289 flat angles P-C4'-P energy: -26.977 tors. eta vs tors. theta energy: 16.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1367.551876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.551876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.551876 (E_RNA) where: Base-Base interactions energy: -934.002 where: short stacking energy: -430.201 Base-Backbone interact. energy: -1.097 local terms energy: -432.453185 where: bonds (distance) C4'-P energy: -80.975 bonds (distance) P-C4' energy: -80.204 flat angles C4'-P-C4' energy: -89.688 flat angles P-C4'-P energy: -54.793 tors. eta vs tors. theta energy: -126.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1274.652961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.652961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.652961 (E_RNA) where: Base-Base interactions energy: -861.487 where: short stacking energy: -352.795 Base-Backbone interact. energy: -1.275 local terms energy: -411.890067 where: bonds (distance) C4'-P energy: -76.167 bonds (distance) P-C4' energy: -80.911 flat angles C4'-P-C4' energy: -89.165 flat angles P-C4'-P energy: -65.563 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: 3, replica: 9 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1226.013461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.013461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.013461 (E_RNA) where: Base-Base interactions energy: -796.193 where: short stacking energy: -378.430 Base-Backbone interact. energy: -3.361 local terms energy: -426.459378 where: bonds (distance) C4'-P energy: -73.278 bonds (distance) P-C4' energy: -80.929 flat angles C4'-P-C4' energy: -90.159 flat angles P-C4'-P energy: -62.001 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: 4, replica: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1136.737738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.737738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.737738 (E_RNA) where: Base-Base interactions energy: -765.452 where: short stacking energy: -345.680 Base-Backbone interact. energy: -0.337 local terms energy: -370.948824 where: bonds (distance) C4'-P energy: -60.436 bonds (distance) P-C4' energy: -73.900 flat angles C4'-P-C4' energy: -82.768 flat angles P-C4'-P energy: -52.832 tors. eta vs tors. theta energy: -101.012 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: 1 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1009.997946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.997946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.997946 (E_RNA) where: Base-Base interactions energy: -644.833 where: short stacking energy: -296.205 Base-Backbone interact. energy: -0.077 local terms energy: -365.088234 where: bonds (distance) C4'-P energy: -84.929 bonds (distance) P-C4' energy: -71.991 flat angles C4'-P-C4' energy: -72.366 flat angles P-C4'-P energy: -54.199 tors. eta vs tors. theta energy: -81.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1037.216267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.216267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.216267 (E_RNA) where: Base-Base interactions energy: -695.802 where: short stacking energy: -302.891 Base-Backbone interact. energy: 1.873 local terms energy: -343.287010 where: bonds (distance) C4'-P energy: -63.156 bonds (distance) P-C4' energy: -60.401 flat angles C4'-P-C4' energy: -85.756 flat angles P-C4'-P energy: -63.789 tors. eta vs tors. theta energy: -70.186 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: 7, replica: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -794.182980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.182980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.182980 (E_RNA) where: Base-Base interactions energy: -485.585 where: short stacking energy: -218.440 Base-Backbone interact. energy: -1.029 local terms energy: -307.569029 where: bonds (distance) C4'-P energy: -64.151 bonds (distance) P-C4' energy: -82.466 flat angles C4'-P-C4' energy: -72.550 flat angles P-C4'-P energy: -37.382 tors. eta vs tors. theta energy: -51.019 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: 8, replica: 5 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -621.193575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.193575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.193575 (E_RNA) where: Base-Base interactions energy: -345.831 where: short stacking energy: -185.675 Base-Backbone interact. energy: 3.757 local terms energy: -279.119797 where: bonds (distance) C4'-P energy: -66.835 bonds (distance) P-C4' energy: -72.223 flat angles C4'-P-C4' energy: -70.313 flat angles P-C4'-P energy: -43.647 tors. eta vs tors. theta energy: -26.103 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: 408 Temperature: 1.300000 Total energy: -535.470099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.470099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.470099 (E_RNA) where: Base-Base interactions energy: -269.254 where: short stacking energy: -151.273 Base-Backbone interact. energy: 0.188 local terms energy: -266.404043 where: bonds (distance) C4'-P energy: -54.991 bonds (distance) P-C4' energy: -77.193 flat angles C4'-P-C4' energy: -60.898 flat angles P-C4'-P energy: -57.270 tors. eta vs tors. theta energy: -16.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -306.678770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.678770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.678770 (E_RNA) where: Base-Base interactions energy: -115.710 where: short stacking energy: -94.162 Base-Backbone interact. energy: -0.314 local terms energy: -190.654705 where: bonds (distance) C4'-P energy: -71.545 bonds (distance) P-C4' energy: -64.283 flat angles C4'-P-C4' energy: -51.198 flat angles P-C4'-P energy: -21.167 tors. eta vs tors. theta energy: 17.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1339.492784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.492784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.492784 (E_RNA) where: Base-Base interactions energy: -911.742 where: short stacking energy: -413.118 Base-Backbone interact. energy: -0.517 local terms energy: -427.234286 where: bonds (distance) C4'-P energy: -80.071 bonds (distance) P-C4' energy: -77.178 flat angles C4'-P-C4' energy: -91.082 flat angles P-C4'-P energy: -53.146 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: 2, replica: 9 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1277.897290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.897290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.897290 (E_RNA) where: Base-Base interactions energy: -857.881 where: short stacking energy: -398.736 Base-Backbone interact. energy: 0.012 local terms energy: -420.028939 where: bonds (distance) C4'-P energy: -78.419 bonds (distance) P-C4' energy: -67.875 flat angles C4'-P-C4' energy: -92.703 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: -125.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1267.390433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.390433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.390433 (E_RNA) where: Base-Base interactions energy: -885.948 where: short stacking energy: -359.693 Base-Backbone interact. energy: 0.597 local terms energy: -382.039162 where: bonds (distance) C4'-P energy: -68.531 bonds (distance) P-C4' energy: -84.203 flat angles C4'-P-C4' energy: -83.710 flat angles P-C4'-P energy: -47.200 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: 4, replica: 4 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1144.392436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.392436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.392436 (E_RNA) where: Base-Base interactions energy: -749.666 where: short stacking energy: -312.796 Base-Backbone interact. energy: -2.275 local terms energy: -392.451504 where: bonds (distance) C4'-P energy: -75.114 bonds (distance) P-C4' energy: -71.593 flat angles C4'-P-C4' energy: -87.889 flat angles P-C4'-P energy: -59.767 tors. eta vs tors. theta energy: -98.089 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: 1 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1025.740036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.740036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.740036 (E_RNA) where: Base-Base interactions energy: -674.559 where: short stacking energy: -297.340 Base-Backbone interact. energy: -0.183 local terms energy: -350.997549 where: bonds (distance) C4'-P energy: -61.977 bonds (distance) P-C4' energy: -75.689 flat angles C4'-P-C4' energy: -75.201 flat angles P-C4'-P energy: -54.395 tors. eta vs tors. theta energy: -83.736 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: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1019.166767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.166767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.166767 (E_RNA) where: Base-Base interactions energy: -669.333 where: short stacking energy: -301.118 Base-Backbone interact. energy: -0.614 local terms energy: -349.219141 where: bonds (distance) C4'-P energy: -75.497 bonds (distance) P-C4' energy: -69.661 flat angles C4'-P-C4' energy: -81.326 flat angles P-C4'-P energy: -43.273 tors. eta vs tors. theta energy: -79.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -784.939319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.939319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.939319 (E_RNA) where: Base-Base interactions energy: -490.263 where: short stacking energy: -237.692 Base-Backbone interact. energy: 0.146 local terms energy: -294.822129 where: bonds (distance) C4'-P energy: -59.656 bonds (distance) P-C4' energy: -57.651 flat angles C4'-P-C4' energy: -80.204 flat angles P-C4'-P energy: -42.685 tors. eta vs tors. theta energy: -54.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -553.627552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.627552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.627552 (E_RNA) where: Base-Base interactions energy: -277.934 where: short stacking energy: -170.420 Base-Backbone interact. energy: 1.117 local terms energy: -276.810245 where: bonds (distance) C4'-P energy: -72.214 bonds (distance) P-C4' energy: -85.331 flat angles C4'-P-C4' energy: -64.054 flat angles P-C4'-P energy: -32.167 tors. eta vs tors. theta energy: -23.044 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: 9, replica: 5 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -553.220337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.220337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.220337 (E_RNA) where: Base-Base interactions energy: -310.211 where: short stacking energy: -147.190 Base-Backbone interact. energy: 0.312 local terms energy: -243.321861 where: bonds (distance) C4'-P energy: -68.191 bonds (distance) P-C4' energy: -62.260 flat angles C4'-P-C4' energy: -67.249 flat angles P-C4'-P energy: -33.032 tors. eta vs tors. theta energy: -12.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -304.309382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.309382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.309382 (E_RNA) where: Base-Base interactions energy: -104.522 where: short stacking energy: -85.660 Base-Backbone interact. energy: -0.189 local terms energy: -199.598369 where: bonds (distance) C4'-P energy: -71.597 bonds (distance) P-C4' energy: -59.869 flat angles C4'-P-C4' energy: -56.800 flat angles P-C4'-P energy: -29.820 tors. eta vs tors. theta energy: 18.488 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: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1355.327923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.327923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.327923 (E_RNA) where: Base-Base interactions energy: -913.969 where: short stacking energy: -426.782 Base-Backbone interact. energy: -0.081 local terms energy: -441.278824 where: bonds (distance) C4'-P energy: -84.314 bonds (distance) P-C4' energy: -69.917 flat angles C4'-P-C4' energy: -92.663 flat angles P-C4'-P energy: -63.200 tors. eta vs tors. theta energy: -131.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1232.859229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.859229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.859229 (E_RNA) where: Base-Base interactions energy: -820.418 where: short stacking energy: -369.182 Base-Backbone interact. energy: -1.378 local terms energy: -411.063399 where: bonds (distance) C4'-P energy: -68.206 bonds (distance) P-C4' energy: -83.397 flat angles C4'-P-C4' energy: -83.360 flat angles P-C4'-P energy: -62.873 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: 3, replica: 7 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1237.741921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.741921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.741921 (E_RNA) where: Base-Base interactions energy: -858.791 where: short stacking energy: -355.695 Base-Backbone interact. energy: -2.192 local terms energy: -376.758688 where: bonds (distance) C4'-P energy: -76.085 bonds (distance) P-C4' energy: -68.275 flat angles C4'-P-C4' energy: -79.584 flat angles P-C4'-P energy: -52.794 tors. eta vs tors. theta energy: -100.021 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: 4 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1144.385103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.385103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.385103 (E_RNA) where: Base-Base interactions energy: -761.426 where: short stacking energy: -334.296 Base-Backbone interact. energy: 0.032 local terms energy: -382.991165 where: bonds (distance) C4'-P energy: -74.818 bonds (distance) P-C4' energy: -79.155 flat angles C4'-P-C4' energy: -82.238 flat angles P-C4'-P energy: -49.748 tors. eta vs tors. theta energy: -97.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1094.368880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.368880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.368880 (E_RNA) where: Base-Base interactions energy: -740.693 where: short stacking energy: -328.234 Base-Backbone interact. energy: -1.460 local terms energy: -352.216403 where: bonds (distance) C4'-P energy: -74.221 bonds (distance) P-C4' energy: -72.347 flat angles C4'-P-C4' energy: -73.113 flat angles P-C4'-P energy: -50.915 tors. eta vs tors. theta energy: -81.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1020.736003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.736003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.736003 (E_RNA) where: Base-Base interactions energy: -698.603 where: short stacking energy: -319.197 Base-Backbone interact. energy: -0.543 local terms energy: -321.590223 where: bonds (distance) C4'-P energy: -63.650 bonds (distance) P-C4' energy: -67.690 flat angles C4'-P-C4' energy: -66.686 flat angles P-C4'-P energy: -38.332 tors. eta vs tors. theta energy: -85.232 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: 7, replica: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -807.249811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.249811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.249811 (E_RNA) where: Base-Base interactions energy: -506.960 where: short stacking energy: -238.739 Base-Backbone interact. energy: 2.489 local terms energy: -302.779159 where: bonds (distance) C4'-P energy: -77.021 bonds (distance) P-C4' energy: -65.048 flat angles C4'-P-C4' energy: -66.357 flat angles P-C4'-P energy: -46.326 tors. eta vs tors. theta energy: -48.026 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: 8, replica: 3 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -546.479046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.479046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.479046 (E_RNA) where: Base-Base interactions energy: -293.600 where: short stacking energy: -181.845 Base-Backbone interact. energy: 4.789 local terms energy: -257.667884 where: bonds (distance) C4'-P energy: -65.093 bonds (distance) P-C4' energy: -65.489 flat angles C4'-P-C4' energy: -80.095 flat angles P-C4'-P energy: -24.109 tors. eta vs tors. theta energy: -22.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -579.412615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.412615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.412615 (E_RNA) where: Base-Base interactions energy: -318.442 where: short stacking energy: -157.855 Base-Backbone interact. energy: 0.726 local terms energy: -261.696508 where: bonds (distance) C4'-P energy: -72.979 bonds (distance) P-C4' energy: -75.539 flat angles C4'-P-C4' energy: -50.047 flat angles P-C4'-P energy: -39.783 tors. eta vs tors. theta energy: -23.350 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: 8 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -324.529813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.529813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.529813 (E_RNA) where: Base-Base interactions energy: -129.343 where: short stacking energy: -90.571 Base-Backbone interact. energy: 4.590 local terms energy: -199.777445 where: bonds (distance) C4'-P energy: -62.808 bonds (distance) P-C4' energy: -63.583 flat angles C4'-P-C4' energy: -57.903 flat angles P-C4'-P energy: -30.254 tors. eta vs tors. theta energy: 14.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1368.078415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.078415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.078415 (E_RNA) where: Base-Base interactions energy: -931.848 where: short stacking energy: -439.310 Base-Backbone interact. energy: 0.064 local terms energy: -436.293998 where: bonds (distance) C4'-P energy: -85.628 bonds (distance) P-C4' energy: -76.631 flat angles C4'-P-C4' energy: -84.357 flat angles P-C4'-P energy: -62.496 tors. eta vs tors. theta energy: -127.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1260.028230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.028230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.028230 (E_RNA) where: Base-Base interactions energy: -841.117 where: short stacking energy: -387.548 Base-Backbone interact. energy: -0.236 local terms energy: -418.675128 where: bonds (distance) C4'-P energy: -71.713 bonds (distance) P-C4' energy: -70.204 flat angles C4'-P-C4' energy: -88.564 flat angles P-C4'-P energy: -67.293 tors. eta vs tors. theta energy: -120.901 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: 7 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1233.844010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.844010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.844010 (E_RNA) where: Base-Base interactions energy: -831.149 where: short stacking energy: -355.602 Base-Backbone interact. energy: -2.599 local terms energy: -400.095189 where: bonds (distance) C4'-P energy: -82.888 bonds (distance) P-C4' energy: -76.027 flat angles C4'-P-C4' energy: -86.048 flat angles P-C4'-P energy: -55.006 tors. eta vs tors. theta energy: -100.126 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: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1179.782249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.782249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.782249 (E_RNA) where: Base-Base interactions energy: -791.679 where: short stacking energy: -337.734 Base-Backbone interact. energy: -2.366 local terms energy: -385.736710 where: bonds (distance) C4'-P energy: -62.797 bonds (distance) P-C4' energy: -78.990 flat angles C4'-P-C4' energy: -80.741 flat angles P-C4'-P energy: -46.047 tors. eta vs tors. theta energy: -117.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1093.342160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.342160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.342160 (E_RNA) where: Base-Base interactions energy: -741.803 where: short stacking energy: -331.524 Base-Backbone interact. energy: -1.179 local terms energy: -350.359691 where: bonds (distance) C4'-P energy: -66.458 bonds (distance) P-C4' energy: -68.160 flat angles C4'-P-C4' energy: -78.192 flat angles P-C4'-P energy: -52.249 tors. eta vs tors. theta energy: -85.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1012.088459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.088459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.088459 (E_RNA) where: Base-Base interactions energy: -649.095 where: short stacking energy: -290.741 Base-Backbone interact. energy: 1.497 local terms energy: -364.490794 where: bonds (distance) C4'-P energy: -77.318 bonds (distance) P-C4' energy: -82.839 flat angles C4'-P-C4' energy: -75.928 flat angles P-C4'-P energy: -46.648 tors. eta vs tors. theta energy: -81.759 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: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -796.433304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.433304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.433304 (E_RNA) where: Base-Base interactions energy: -495.837 where: short stacking energy: -252.839 Base-Backbone interact. energy: 1.871 local terms energy: -302.467414 where: bonds (distance) C4'-P energy: -72.669 bonds (distance) P-C4' energy: -58.030 flat angles C4'-P-C4' energy: -68.655 flat angles P-C4'-P energy: -37.770 tors. eta vs tors. theta energy: -65.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -561.416586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.416586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.416586 (E_RNA) where: Base-Base interactions energy: -306.730 where: short stacking energy: -178.325 Base-Backbone interact. energy: -0.459 local terms energy: -254.227824 where: bonds (distance) C4'-P energy: -66.467 bonds (distance) P-C4' energy: -47.387 flat angles C4'-P-C4' energy: -64.017 flat angles P-C4'-P energy: -41.892 tors. eta vs tors. theta energy: -34.464 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: 9, replica: 5 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -586.939739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.939739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.939739 (E_RNA) where: Base-Base interactions energy: -340.614 where: short stacking energy: -159.735 Base-Backbone interact. energy: 2.793 local terms energy: -249.118319 where: bonds (distance) C4'-P energy: -56.346 bonds (distance) P-C4' energy: -66.739 flat angles C4'-P-C4' energy: -63.149 flat angles P-C4'-P energy: -32.403 tors. eta vs tors. theta energy: -30.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -328.812899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.812899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.812899 (E_RNA) where: Base-Base interactions energy: -129.412 where: short stacking energy: -106.678 Base-Backbone interact. energy: -0.660 local terms energy: -198.740599 where: bonds (distance) C4'-P energy: -59.327 bonds (distance) P-C4' energy: -65.195 flat angles C4'-P-C4' energy: -38.777 flat angles P-C4'-P energy: -41.534 tors. eta vs tors. theta energy: 6.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1395.810096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.810096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.810096 (E_RNA) where: Base-Base interactions energy: -941.529 where: short stacking energy: -439.003 Base-Backbone interact. energy: -0.816 local terms energy: -453.465641 where: bonds (distance) C4'-P energy: -82.747 bonds (distance) P-C4' energy: -87.813 flat angles C4'-P-C4' energy: -88.331 flat angles P-C4'-P energy: -69.785 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: 2, replica: 9 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1255.335608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.335608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.335608 (E_RNA) where: Base-Base interactions energy: -835.085 where: short stacking energy: -391.974 Base-Backbone interact. energy: -0.049 local terms energy: -420.201061 where: bonds (distance) C4'-P energy: -66.670 bonds (distance) P-C4' energy: -80.141 flat angles C4'-P-C4' energy: -93.649 flat angles P-C4'-P energy: -61.527 tors. eta vs tors. theta energy: -118.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1222.387440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.387440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.387440 (E_RNA) where: Base-Base interactions energy: -820.259 where: short stacking energy: -353.830 Base-Backbone interact. energy: 1.209 local terms energy: -403.337361 where: bonds (distance) C4'-P energy: -68.731 bonds (distance) P-C4' energy: -79.626 flat angles C4'-P-C4' energy: -99.069 flat angles P-C4'-P energy: -57.673 tors. eta vs tors. theta energy: -98.238 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: 412 Temperature: 1.050000 Total energy: -1177.605396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.605396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.605396 (E_RNA) where: Base-Base interactions energy: -796.734 where: short stacking energy: -352.899 Base-Backbone interact. energy: -0.519 local terms energy: -380.352533 where: bonds (distance) C4'-P energy: -67.573 bonds (distance) P-C4' energy: -76.050 flat angles C4'-P-C4' energy: -89.069 flat angles P-C4'-P energy: -54.524 tors. eta vs tors. theta energy: -93.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1051.096500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.096500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.096500 (E_RNA) where: Base-Base interactions energy: -682.638 where: short stacking energy: -312.767 Base-Backbone interact. energy: -2.141 local terms energy: -366.317694 where: bonds (distance) C4'-P energy: -65.995 bonds (distance) P-C4' energy: -77.152 flat angles C4'-P-C4' energy: -76.953 flat angles P-C4'-P energy: -60.533 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: 6, replica: 1 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1000.634815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.634815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.634815 (E_RNA) where: Base-Base interactions energy: -652.050 where: short stacking energy: -289.645 Base-Backbone interact. energy: 2.809 local terms energy: -351.393800 where: bonds (distance) C4'-P energy: -72.780 bonds (distance) P-C4' energy: -77.483 flat angles C4'-P-C4' energy: -79.655 flat angles P-C4'-P energy: -50.640 tors. eta vs tors. theta energy: -70.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -826.995558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.995558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.995558 (E_RNA) where: Base-Base interactions energy: -508.041 where: short stacking energy: -252.454 Base-Backbone interact. energy: -0.486 local terms energy: -318.468633 where: bonds (distance) C4'-P energy: -61.334 bonds (distance) P-C4' energy: -74.884 flat angles C4'-P-C4' energy: -74.204 flat angles P-C4'-P energy: -44.275 tors. eta vs tors. theta energy: -63.771 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: 3 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -551.404003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.404003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.404003 (E_RNA) where: Base-Base interactions energy: -296.124 where: short stacking energy: -185.747 Base-Backbone interact. energy: -0.591 local terms energy: -254.689646 where: bonds (distance) C4'-P energy: -63.894 bonds (distance) P-C4' energy: -73.605 flat angles C4'-P-C4' energy: -68.623 flat angles P-C4'-P energy: -27.632 tors. eta vs tors. theta energy: -20.936 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: 5 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -563.015780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.015780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.015780 (E_RNA) where: Base-Base interactions energy: -323.571 where: short stacking energy: -161.472 Base-Backbone interact. energy: -2.936 local terms energy: -236.509322 where: bonds (distance) C4'-P energy: -62.797 bonds (distance) P-C4' energy: -75.099 flat angles C4'-P-C4' energy: -57.280 flat angles P-C4'-P energy: -39.341 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -330.106965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.106965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.106965 (E_RNA) where: Base-Base interactions energy: -103.465 where: short stacking energy: -77.944 Base-Backbone interact. energy: -1.713 local terms energy: -224.929412 where: bonds (distance) C4'-P energy: -54.220 bonds (distance) P-C4' energy: -71.763 flat angles C4'-P-C4' energy: -68.084 flat angles P-C4'-P energy: -37.028 tors. eta vs tors. theta energy: 6.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1372.804218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.804218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.804218 (E_RNA) where: Base-Base interactions energy: -933.663 where: short stacking energy: -424.225 Base-Backbone interact. energy: -0.875 local terms energy: -438.266331 where: bonds (distance) C4'-P energy: -80.317 bonds (distance) P-C4' energy: -73.461 flat angles C4'-P-C4' energy: -99.894 flat angles P-C4'-P energy: -61.999 tors. eta vs tors. theta energy: -122.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1261.619553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.619553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.619553 (E_RNA) where: Base-Base interactions energy: -848.286 where: short stacking energy: -364.077 Base-Backbone interact. energy: -1.446 local terms energy: -411.887831 where: bonds (distance) C4'-P energy: -76.742 bonds (distance) P-C4' energy: -90.598 flat angles C4'-P-C4' energy: -84.674 flat angles P-C4'-P energy: -52.613 tors. eta vs tors. theta energy: -107.261 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: 9 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1267.938958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.938958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.938958 (E_RNA) where: Base-Base interactions energy: -839.950 where: short stacking energy: -394.297 Base-Backbone interact. energy: -0.917 local terms energy: -427.072265 where: bonds (distance) C4'-P energy: -73.171 bonds (distance) P-C4' energy: -78.480 flat angles C4'-P-C4' energy: -92.744 flat angles P-C4'-P energy: -60.352 tors. eta vs tors. theta energy: -122.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1164.161552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.161552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.161552 (E_RNA) where: Base-Base interactions energy: -751.926 where: short stacking energy: -344.836 Base-Backbone interact. energy: -1.845 local terms energy: -410.390315 where: bonds (distance) C4'-P energy: -79.894 bonds (distance) P-C4' energy: -72.495 flat angles C4'-P-C4' energy: -87.885 flat angles P-C4'-P energy: -59.520 tors. eta vs tors. theta energy: -110.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1030.700661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.700661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.700661 (E_RNA) where: Base-Base interactions energy: -670.854 where: short stacking energy: -314.464 Base-Backbone interact. energy: 3.199 local terms energy: -363.045565 where: bonds (distance) C4'-P energy: -75.590 bonds (distance) P-C4' energy: -85.195 flat angles C4'-P-C4' energy: -63.828 flat angles P-C4'-P energy: -49.846 tors. eta vs tors. theta energy: -88.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1032.651700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.651700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.651700 (E_RNA) where: Base-Base interactions energy: -684.596 where: short stacking energy: -296.436 Base-Backbone interact. energy: -0.559 local terms energy: -347.495809 where: bonds (distance) C4'-P energy: -79.040 bonds (distance) P-C4' energy: -66.996 flat angles C4'-P-C4' energy: -73.014 flat angles P-C4'-P energy: -53.366 tors. eta vs tors. theta energy: -75.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -867.535785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.535785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.535785 (E_RNA) where: Base-Base interactions energy: -538.909 where: short stacking energy: -258.305 Base-Backbone interact. energy: -0.134 local terms energy: -328.493017 where: bonds (distance) C4'-P energy: -61.835 bonds (distance) P-C4' energy: -62.511 flat angles C4'-P-C4' energy: -76.393 flat angles P-C4'-P energy: -54.997 tors. eta vs tors. theta energy: -72.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -584.035635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.035635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.035635 (E_RNA) where: Base-Base interactions energy: -304.322 where: short stacking energy: -162.555 Base-Backbone interact. energy: -1.089 local terms energy: -278.624475 where: bonds (distance) C4'-P energy: -62.537 bonds (distance) P-C4' energy: -80.654 flat angles C4'-P-C4' energy: -72.982 flat angles P-C4'-P energy: -36.497 tors. eta vs tors. theta energy: -25.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -505.092121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.092121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.092121 (E_RNA) where: Base-Base interactions energy: -279.972 where: short stacking energy: -165.675 Base-Backbone interact. energy: -2.760 local terms energy: -222.359849 where: bonds (distance) C4'-P energy: -60.048 bonds (distance) P-C4' energy: -59.478 flat angles C4'-P-C4' energy: -59.752 flat angles P-C4'-P energy: -39.604 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -322.332670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.332670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.332670 (E_RNA) where: Base-Base interactions energy: -118.745 where: short stacking energy: -109.080 Base-Backbone interact. energy: -1.134 local terms energy: -202.454113 where: bonds (distance) C4'-P energy: -49.348 bonds (distance) P-C4' energy: -78.379 flat angles C4'-P-C4' energy: -38.940 flat angles P-C4'-P energy: -40.621 tors. eta vs tors. theta energy: 4.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1303.045836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.045836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.045836 (E_RNA) where: Base-Base interactions energy: -896.514 where: short stacking energy: -376.952 Base-Backbone interact. energy: -0.384 local terms energy: -406.147957 where: bonds (distance) C4'-P energy: -79.048 bonds (distance) P-C4' energy: -78.653 flat angles C4'-P-C4' energy: -79.286 flat angles P-C4'-P energy: -62.297 tors. eta vs tors. theta energy: -106.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1337.067835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.067835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.067835 (E_RNA) where: Base-Base interactions energy: -895.687 where: short stacking energy: -414.104 Base-Backbone interact. energy: 0.719 local terms energy: -442.100830 where: bonds (distance) C4'-P energy: -72.948 bonds (distance) P-C4' energy: -80.627 flat angles C4'-P-C4' energy: -87.187 flat angles P-C4'-P energy: -72.376 tors. eta vs tors. theta energy: -128.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1255.411513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.411513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.411513 (E_RNA) where: Base-Base interactions energy: -837.662 where: short stacking energy: -397.486 Base-Backbone interact. energy: -0.535 local terms energy: -417.214184 where: bonds (distance) C4'-P energy: -70.546 bonds (distance) P-C4' energy: -69.986 flat angles C4'-P-C4' energy: -94.146 flat angles P-C4'-P energy: -62.724 tors. eta vs tors. theta energy: -119.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1143.309649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.309649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.309649 (E_RNA) where: Base-Base interactions energy: -747.276 where: short stacking energy: -339.595 Base-Backbone interact. energy: -1.109 local terms energy: -394.924436 where: bonds (distance) C4'-P energy: -70.979 bonds (distance) P-C4' energy: -78.701 flat angles C4'-P-C4' energy: -83.176 flat angles P-C4'-P energy: -56.408 tors. eta vs tors. theta energy: -105.661 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: 5, replica: 1 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1097.987811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.987811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.987811 (E_RNA) where: Base-Base interactions energy: -733.303 where: short stacking energy: -320.008 Base-Backbone interact. energy: -1.572 local terms energy: -363.113045 where: bonds (distance) C4'-P energy: -76.486 bonds (distance) P-C4' energy: -71.242 flat angles C4'-P-C4' energy: -68.217 flat angles P-C4'-P energy: -54.495 tors. eta vs tors. theta energy: -92.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1032.621564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.621564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.621564 (E_RNA) where: Base-Base interactions energy: -694.880 where: short stacking energy: -272.471 Base-Backbone interact. energy: -1.733 local terms energy: -336.008058 where: bonds (distance) C4'-P energy: -70.884 bonds (distance) P-C4' energy: -68.646 flat angles C4'-P-C4' energy: -70.313 flat angles P-C4'-P energy: -56.136 tors. eta vs tors. theta energy: -70.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -823.736728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.736728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.736728 (E_RNA) where: Base-Base interactions energy: -502.292 where: short stacking energy: -255.596 Base-Backbone interact. energy: -1.527 local terms energy: -319.918257 where: bonds (distance) C4'-P energy: -66.905 bonds (distance) P-C4' energy: -75.577 flat angles C4'-P-C4' energy: -71.358 flat angles P-C4'-P energy: -58.178 tors. eta vs tors. theta energy: -47.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -585.373392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.373392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.373392 (E_RNA) where: Base-Base interactions energy: -324.953 where: short stacking energy: -180.238 Base-Backbone interact. energy: 0.115 local terms energy: -260.534625 where: bonds (distance) C4'-P energy: -59.317 bonds (distance) P-C4' energy: -77.206 flat angles C4'-P-C4' energy: -67.774 flat angles P-C4'-P energy: -39.807 tors. eta vs tors. theta energy: -16.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -538.699598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.699598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.699598 (E_RNA) where: Base-Base interactions energy: -303.375 where: short stacking energy: -167.281 Base-Backbone interact. energy: -0.108 local terms energy: -235.217008 where: bonds (distance) C4'-P energy: -52.298 bonds (distance) P-C4' energy: -70.661 flat angles C4'-P-C4' energy: -57.958 flat angles P-C4'-P energy: -36.725 tors. eta vs tors. theta energy: -17.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -327.570287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.570287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.570287 (E_RNA) where: Base-Base interactions energy: -112.907 where: short stacking energy: -93.784 Base-Backbone interact. energy: 0.720 local terms energy: -215.383270 where: bonds (distance) C4'-P energy: -56.187 bonds (distance) P-C4' energy: -73.893 flat angles C4'-P-C4' energy: -52.529 flat angles P-C4'-P energy: -34.529 tors. eta vs tors. theta energy: 1.755 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: 7 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1321.260635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.260635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.260635 (E_RNA) where: Base-Base interactions energy: -894.602 where: short stacking energy: -398.634 Base-Backbone interact. energy: -0.586 local terms energy: -426.072308 where: bonds (distance) C4'-P energy: -87.303 bonds (distance) P-C4' energy: -81.126 flat angles C4'-P-C4' energy: -82.253 flat angles P-C4'-P energy: -67.053 tors. eta vs tors. theta energy: -108.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1314.205516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.205516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.205516 (E_RNA) where: Base-Base interactions energy: -886.839 where: short stacking energy: -403.956 Base-Backbone interact. energy: -0.229 local terms energy: -427.137075 where: bonds (distance) C4'-P energy: -86.284 bonds (distance) P-C4' energy: -72.772 flat angles C4'-P-C4' energy: -85.356 flat angles P-C4'-P energy: -57.028 tors. eta vs tors. theta energy: -125.696 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: 9 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1197.398810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.398810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.398810 (E_RNA) where: Base-Base interactions energy: -800.168 where: short stacking energy: -359.230 Base-Backbone interact. energy: -0.414 local terms energy: -396.816541 where: bonds (distance) C4'-P energy: -74.416 bonds (distance) P-C4' energy: -67.532 flat angles C4'-P-C4' energy: -89.076 flat angles P-C4'-P energy: -54.277 tors. eta vs tors. theta energy: -111.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1154.777786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.777786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.777786 (E_RNA) where: Base-Base interactions energy: -772.117 where: short stacking energy: -352.525 Base-Backbone interact. energy: -0.253 local terms energy: -382.407821 where: bonds (distance) C4'-P energy: -71.511 bonds (distance) P-C4' energy: -73.013 flat angles C4'-P-C4' energy: -77.465 flat angles P-C4'-P energy: -51.531 tors. eta vs tors. theta energy: -108.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1119.913045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.913045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.913045 (E_RNA) where: Base-Base interactions energy: -774.245 where: short stacking energy: -341.266 Base-Backbone interact. energy: -0.459 local terms energy: -345.208690 where: bonds (distance) C4'-P energy: -70.092 bonds (distance) P-C4' energy: -74.291 flat angles C4'-P-C4' energy: -74.585 flat angles P-C4'-P energy: -44.772 tors. eta vs tors. theta energy: -81.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1067.739977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.739977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.739977 (E_RNA) where: Base-Base interactions energy: -716.522 where: short stacking energy: -297.140 Base-Backbone interact. energy: -0.333 local terms energy: -350.885000 where: bonds (distance) C4'-P energy: -64.789 bonds (distance) P-C4' energy: -73.374 flat angles C4'-P-C4' energy: -80.660 flat angles P-C4'-P energy: -52.057 tors. eta vs tors. theta energy: -80.006 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: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -752.872505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.872505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.872505 (E_RNA) where: Base-Base interactions energy: -434.573 where: short stacking energy: -206.699 Base-Backbone interact. energy: -0.686 local terms energy: -317.612909 where: bonds (distance) C4'-P energy: -85.694 bonds (distance) P-C4' energy: -64.080 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -43.821 tors. eta vs tors. theta energy: -49.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -613.358158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.358158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.358158 (E_RNA) where: Base-Base interactions energy: -348.613 where: short stacking energy: -183.267 Base-Backbone interact. energy: -1.774 local terms energy: -262.970979 where: bonds (distance) C4'-P energy: -63.173 bonds (distance) P-C4' energy: -70.274 flat angles C4'-P-C4' energy: -59.667 flat angles P-C4'-P energy: -49.660 tors. eta vs tors. theta energy: -20.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -519.010692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.010692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.010692 (E_RNA) where: Base-Base interactions energy: -274.855 where: short stacking energy: -142.542 Base-Backbone interact. energy: 1.845 local terms energy: -246.000500 where: bonds (distance) C4'-P energy: -70.533 bonds (distance) P-C4' energy: -86.950 flat angles C4'-P-C4' energy: -52.811 flat angles P-C4'-P energy: -28.763 tors. eta vs tors. theta energy: -6.944 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: 10, replica: 8 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -345.897035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.897035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.897035 (E_RNA) where: Base-Base interactions energy: -136.483 where: short stacking energy: -120.253 Base-Backbone interact. energy: 0.651 local terms energy: -210.065472 where: bonds (distance) C4'-P energy: -57.520 bonds (distance) P-C4' energy: -67.392 flat angles C4'-P-C4' energy: -52.598 flat angles P-C4'-P energy: -31.069 tors. eta vs tors. theta energy: -1.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1379.012447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.012447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.012447 (E_RNA) where: Base-Base interactions energy: -929.705 where: short stacking energy: -448.037 Base-Backbone interact. energy: -0.504 local terms energy: -448.803452 where: bonds (distance) C4'-P energy: -73.428 bonds (distance) P-C4' energy: -84.966 flat angles C4'-P-C4' energy: -89.404 flat angles P-C4'-P energy: -69.464 tors. eta vs tors. theta energy: -131.541 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: 7 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1290.560461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.560461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.560461 (E_RNA) where: Base-Base interactions energy: -862.139 where: short stacking energy: -381.128 Base-Backbone interact. energy: -2.940 local terms energy: -425.480950 where: bonds (distance) C4'-P energy: -82.103 bonds (distance) P-C4' energy: -77.998 flat angles C4'-P-C4' energy: -87.421 flat angles P-C4'-P energy: -66.484 tors. eta vs tors. theta energy: -111.476 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: 416 Temperature: 1.000000 Total energy: -1199.901716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.901716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.901716 (E_RNA) where: Base-Base interactions energy: -799.292 where: short stacking energy: -364.790 Base-Backbone interact. energy: -1.180 local terms energy: -399.430018 where: bonds (distance) C4'-P energy: -77.592 bonds (distance) P-C4' energy: -76.764 flat angles C4'-P-C4' energy: -79.274 flat angles P-C4'-P energy: -55.293 tors. eta vs tors. theta energy: -110.507 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: 4 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1155.650391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.650391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.650391 (E_RNA) where: Base-Base interactions energy: -782.485 where: short stacking energy: -346.403 Base-Backbone interact. energy: -1.752 local terms energy: -371.413817 where: bonds (distance) C4'-P energy: -60.212 bonds (distance) P-C4' energy: -73.971 flat angles C4'-P-C4' energy: -85.494 flat angles P-C4'-P energy: -50.801 tors. eta vs tors. theta energy: -100.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1105.597346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.597346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.597346 (E_RNA) where: Base-Base interactions energy: -747.856 where: short stacking energy: -321.731 Base-Backbone interact. energy: 2.270 local terms energy: -360.011627 where: bonds (distance) C4'-P energy: -77.559 bonds (distance) P-C4' energy: -64.858 flat angles C4'-P-C4' energy: -80.751 flat angles P-C4'-P energy: -52.329 tors. eta vs tors. theta energy: -84.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1048.155402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.155402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.155402 (E_RNA) where: Base-Base interactions energy: -690.524 where: short stacking energy: -317.721 Base-Backbone interact. energy: -0.528 local terms energy: -357.103552 where: bonds (distance) C4'-P energy: -70.032 bonds (distance) P-C4' energy: -76.841 flat angles C4'-P-C4' energy: -70.449 flat angles P-C4'-P energy: -54.514 tors. eta vs tors. theta energy: -85.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -745.253208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.253208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.253208 (E_RNA) where: Base-Base interactions energy: -432.567 where: short stacking energy: -204.572 Base-Backbone interact. energy: 1.557 local terms energy: -314.243352 where: bonds (distance) C4'-P energy: -73.745 bonds (distance) P-C4' energy: -76.810 flat angles C4'-P-C4' energy: -66.264 flat angles P-C4'-P energy: -44.565 tors. eta vs tors. theta energy: -52.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -585.399337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.399337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.399337 (E_RNA) where: Base-Base interactions energy: -315.002 where: short stacking energy: -174.181 Base-Backbone interact. energy: -0.481 local terms energy: -269.916046 where: bonds (distance) C4'-P energy: -67.475 bonds (distance) P-C4' energy: -65.707 flat angles C4'-P-C4' energy: -75.889 flat angles P-C4'-P energy: -44.607 tors. eta vs tors. theta energy: -16.238 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: 416 Temperature: 1.300000 Total energy: -515.308483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.308483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.308483 (E_RNA) where: Base-Base interactions energy: -267.901 where: short stacking energy: -140.665 Base-Backbone interact. energy: -1.358 local terms energy: -246.049615 where: bonds (distance) C4'-P energy: -63.331 bonds (distance) P-C4' energy: -68.871 flat angles C4'-P-C4' energy: -57.206 flat angles P-C4'-P energy: -47.937 tors. eta vs tors. theta energy: -8.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -324.674357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.674357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.674357 (E_RNA) where: Base-Base interactions energy: -103.867 where: short stacking energy: -94.625 Base-Backbone interact. energy: -0.870 local terms energy: -219.937353 where: bonds (distance) C4'-P energy: -65.653 bonds (distance) P-C4' energy: -76.739 flat angles C4'-P-C4' energy: -60.172 flat angles P-C4'-P energy: -30.489 tors. eta vs tors. theta energy: 13.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1377.491806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.491806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.491806 (E_RNA) where: Base-Base interactions energy: -936.095 where: short stacking energy: -424.445 Base-Backbone interact. energy: 4.120 local terms energy: -445.517045 where: bonds (distance) C4'-P energy: -80.324 bonds (distance) P-C4' energy: -76.405 flat angles C4'-P-C4' energy: -91.492 flat angles P-C4'-P energy: -67.707 tors. eta vs tors. theta energy: -129.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1216.259266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.259266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.259266 (E_RNA) where: Base-Base interactions energy: -805.366 where: short stacking energy: -385.105 Base-Backbone interact. energy: -1.732 local terms energy: -409.161194 where: bonds (distance) C4'-P energy: -83.114 bonds (distance) P-C4' energy: -71.169 flat angles C4'-P-C4' energy: -86.860 flat angles P-C4'-P energy: -59.133 tors. eta vs tors. theta energy: -108.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1232.445421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.445421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.445421 (E_RNA) where: Base-Base interactions energy: -868.577 where: short stacking energy: -377.196 Base-Backbone interact. energy: -1.632 local terms energy: -362.237093 where: bonds (distance) C4'-P energy: -63.566 bonds (distance) P-C4' energy: -66.891 flat angles C4'-P-C4' energy: -77.266 flat angles P-C4'-P energy: -49.217 tors. eta vs tors. theta energy: -105.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1171.651522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.651522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.651522 (E_RNA) where: Base-Base interactions energy: -797.394 where: short stacking energy: -368.816 Base-Backbone interact. energy: -0.514 local terms energy: -373.742792 where: bonds (distance) C4'-P energy: -65.891 bonds (distance) P-C4' energy: -67.999 flat angles C4'-P-C4' energy: -82.127 flat angles P-C4'-P energy: -51.044 tors. eta vs tors. theta energy: -106.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1132.906740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.906740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.906740 (E_RNA) where: Base-Base interactions energy: -755.953 where: short stacking energy: -332.161 Base-Backbone interact. energy: 0.363 local terms energy: -377.316301 where: bonds (distance) C4'-P energy: -81.196 bonds (distance) P-C4' energy: -64.177 flat angles C4'-P-C4' energy: -77.583 flat angles P-C4'-P energy: -58.658 tors. eta vs tors. theta energy: -95.701 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: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -997.734797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.734797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.734797 (E_RNA) where: Base-Base interactions energy: -677.549 where: short stacking energy: -285.464 Base-Backbone interact. energy: 4.178 local terms energy: -324.363455 where: bonds (distance) C4'-P energy: -65.813 bonds (distance) P-C4' energy: -68.534 flat angles C4'-P-C4' energy: -68.986 flat angles P-C4'-P energy: -40.435 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: 7, replica: 6 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -778.103494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.103494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.103494 (E_RNA) where: Base-Base interactions energy: -470.474 where: short stacking energy: -231.262 Base-Backbone interact. energy: -0.994 local terms energy: -306.635896 where: bonds (distance) C4'-P energy: -78.311 bonds (distance) P-C4' energy: -64.286 flat angles C4'-P-C4' energy: -77.051 flat angles P-C4'-P energy: -42.786 tors. eta vs tors. theta energy: -44.201 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: 5 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -619.336726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.336726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.336726 (E_RNA) where: Base-Base interactions energy: -354.074 where: short stacking energy: -192.479 Base-Backbone interact. energy: -0.763 local terms energy: -264.500155 where: bonds (distance) C4'-P energy: -64.426 bonds (distance) P-C4' energy: -67.213 flat angles C4'-P-C4' energy: -58.724 flat angles P-C4'-P energy: -40.161 tors. eta vs tors. theta energy: -33.977 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: 417 Temperature: 1.300000 Total energy: -530.890605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.890605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.890605 (E_RNA) where: Base-Base interactions energy: -302.391 where: short stacking energy: -158.187 Base-Backbone interact. energy: -0.114 local terms energy: -228.385632 where: bonds (distance) C4'-P energy: -62.234 bonds (distance) P-C4' energy: -74.904 flat angles C4'-P-C4' energy: -38.419 flat angles P-C4'-P energy: -45.027 tors. eta vs tors. theta energy: -7.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -318.449081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.449081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.449081 (E_RNA) where: Base-Base interactions energy: -133.313 where: short stacking energy: -99.849 Base-Backbone interact. energy: 1.215 local terms energy: -186.350769 where: bonds (distance) C4'-P energy: -55.987 bonds (distance) P-C4' energy: -63.058 flat angles C4'-P-C4' energy: -44.990 flat angles P-C4'-P energy: -38.894 tors. eta vs tors. theta energy: 16.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1372.608667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.608667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.608667 (E_RNA) where: Base-Base interactions energy: -947.402 where: short stacking energy: -433.858 Base-Backbone interact. energy: -0.105 local terms energy: -425.101322 where: bonds (distance) C4'-P energy: -67.618 bonds (distance) P-C4' energy: -80.798 flat angles C4'-P-C4' energy: -79.444 flat angles P-C4'-P energy: -64.708 tors. eta vs tors. theta energy: -132.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1218.603480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.603480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.603480 (E_RNA) where: Base-Base interactions energy: -803.262 where: short stacking energy: -381.122 Base-Backbone interact. energy: -0.922 local terms energy: -414.419487 where: bonds (distance) C4'-P energy: -75.506 bonds (distance) P-C4' energy: -85.701 flat angles C4'-P-C4' energy: -90.319 flat angles P-C4'-P energy: -56.765 tors. eta vs tors. theta energy: -106.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1247.681737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.681737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.681737 (E_RNA) where: Base-Base interactions energy: -840.181 where: short stacking energy: -363.577 Base-Backbone interact. energy: 1.005 local terms energy: -408.505947 where: bonds (distance) C4'-P energy: -72.489 bonds (distance) P-C4' energy: -72.535 flat angles C4'-P-C4' energy: -94.258 flat angles P-C4'-P energy: -61.233 tors. eta vs tors. theta energy: -107.992 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: 418 Temperature: 1.050000 Total energy: -1156.305541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.305541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.305541 (E_RNA) where: Base-Base interactions energy: -764.203 where: short stacking energy: -337.374 Base-Backbone interact. energy: 0.082 local terms energy: -392.184390 where: bonds (distance) C4'-P energy: -82.229 bonds (distance) P-C4' energy: -80.139 flat angles C4'-P-C4' energy: -71.549 flat angles P-C4'-P energy: -64.877 tors. eta vs tors. theta energy: -93.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1135.073375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.073375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.073375 (E_RNA) where: Base-Base interactions energy: -746.317 where: short stacking energy: -314.289 Base-Backbone interact. energy: 1.512 local terms energy: -390.268582 where: bonds (distance) C4'-P energy: -74.771 bonds (distance) P-C4' energy: -72.019 flat angles C4'-P-C4' energy: -78.864 flat angles P-C4'-P energy: -62.002 tors. eta vs tors. theta energy: -102.612 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: 2 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1010.950270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.950270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.950270 (E_RNA) where: Base-Base interactions energy: -668.163 where: short stacking energy: -306.378 Base-Backbone interact. energy: -2.063 local terms energy: -340.724287 where: bonds (distance) C4'-P energy: -69.516 bonds (distance) P-C4' energy: -71.745 flat angles C4'-P-C4' energy: -71.222 flat angles P-C4'-P energy: -48.085 tors. eta vs tors. theta energy: -80.156 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: 6 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -755.859966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.859966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.859966 (E_RNA) where: Base-Base interactions energy: -472.005 where: short stacking energy: -233.038 Base-Backbone interact. energy: 0.064 local terms energy: -283.919728 where: bonds (distance) C4'-P energy: -66.072 bonds (distance) P-C4' energy: -71.485 flat angles C4'-P-C4' energy: -72.050 flat angles P-C4'-P energy: -32.568 tors. eta vs tors. theta energy: -41.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -584.455166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.455166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.455166 (E_RNA) where: Base-Base interactions energy: -341.113 where: short stacking energy: -186.512 Base-Backbone interact. energy: -0.126 local terms energy: -243.215855 where: bonds (distance) C4'-P energy: -64.370 bonds (distance) P-C4' energy: -60.230 flat angles C4'-P-C4' energy: -61.574 flat angles P-C4'-P energy: -35.980 tors. eta vs tors. theta energy: -21.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -516.857357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.857357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.857357 (E_RNA) where: Base-Base interactions energy: -268.185 where: short stacking energy: -155.828 Base-Backbone interact. energy: 0.893 local terms energy: -249.566153 where: bonds (distance) C4'-P energy: -68.005 bonds (distance) P-C4' energy: -63.017 flat angles C4'-P-C4' energy: -63.974 flat angles P-C4'-P energy: -44.784 tors. eta vs tors. theta energy: -9.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -330.881999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.881999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.881999 (E_RNA) where: Base-Base interactions energy: -98.427 where: short stacking energy: -97.598 Base-Backbone interact. energy: 0.477 local terms energy: -232.931312 where: bonds (distance) C4'-P energy: -65.096 bonds (distance) P-C4' energy: -66.635 flat angles C4'-P-C4' energy: -58.096 flat angles P-C4'-P energy: -50.157 tors. eta vs tors. theta energy: 7.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1362.433113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.433113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.433113 (E_RNA) where: Base-Base interactions energy: -923.226 where: short stacking energy: -429.693 Base-Backbone interact. energy: -0.116 local terms energy: -439.091191 where: bonds (distance) C4'-P energy: -78.194 bonds (distance) P-C4' energy: -77.945 flat angles C4'-P-C4' energy: -93.067 flat angles P-C4'-P energy: -64.836 tors. eta vs tors. theta energy: -125.049 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: 7 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1298.457890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.457890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.457890 (E_RNA) where: Base-Base interactions energy: -889.055 where: short stacking energy: -378.485 Base-Backbone interact. energy: -1.004 local terms energy: -408.399035 where: bonds (distance) C4'-P energy: -79.281 bonds (distance) P-C4' energy: -78.492 flat angles C4'-P-C4' energy: -86.214 flat angles P-C4'-P energy: -56.428 tors. eta vs tors. theta energy: -107.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1212.309057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.309057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.309057 (E_RNA) where: Base-Base interactions energy: -814.542 where: short stacking energy: -363.279 Base-Backbone interact. energy: -0.822 local terms energy: -396.945415 where: bonds (distance) C4'-P energy: -81.113 bonds (distance) P-C4' energy: -71.785 flat angles C4'-P-C4' energy: -81.887 flat angles P-C4'-P energy: -55.744 tors. eta vs tors. theta energy: -106.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1176.752335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.752335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.752335 (E_RNA) where: Base-Base interactions energy: -783.965 where: short stacking energy: -359.280 Base-Backbone interact. energy: -1.865 local terms energy: -390.923075 where: bonds (distance) C4'-P energy: -67.002 bonds (distance) P-C4' energy: -76.811 flat angles C4'-P-C4' energy: -87.272 flat angles P-C4'-P energy: -57.117 tors. eta vs tors. theta energy: -102.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1082.015960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.015960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.015960 (E_RNA) where: Base-Base interactions energy: -704.164 where: short stacking energy: -320.660 Base-Backbone interact. energy: -0.803 local terms energy: -377.048672 where: bonds (distance) C4'-P energy: -76.415 bonds (distance) P-C4' energy: -80.820 flat angles C4'-P-C4' energy: -74.983 flat angles P-C4'-P energy: -52.184 tors. eta vs tors. theta energy: -92.646 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: 2 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -983.778435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.778435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.778435 (E_RNA) where: Base-Base interactions energy: -673.146 where: short stacking energy: -299.463 Base-Backbone interact. energy: 0.146 local terms energy: -310.778197 where: bonds (distance) C4'-P energy: -66.334 bonds (distance) P-C4' energy: -66.298 flat angles C4'-P-C4' energy: -60.560 flat angles P-C4'-P energy: -42.429 tors. eta vs tors. theta energy: -75.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -748.154402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.154402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.154402 (E_RNA) where: Base-Base interactions energy: -457.991 where: short stacking energy: -208.967 Base-Backbone interact. energy: -2.196 local terms energy: -287.967953 where: bonds (distance) C4'-P energy: -61.497 bonds (distance) P-C4' energy: -69.106 flat angles C4'-P-C4' energy: -65.078 flat angles P-C4'-P energy: -54.024 tors. eta vs tors. theta energy: -38.263 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: 3 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -594.656458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.656458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.656458 (E_RNA) where: Base-Base interactions energy: -333.533 where: short stacking energy: -180.406 Base-Backbone interact. energy: -0.565 local terms energy: -260.558011 where: bonds (distance) C4'-P energy: -66.887 bonds (distance) P-C4' energy: -71.319 flat angles C4'-P-C4' energy: -54.337 flat angles P-C4'-P energy: -45.008 tors. eta vs tors. theta energy: -23.007 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: 9, replica: 5 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -579.671943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.671943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.671943 (E_RNA) where: Base-Base interactions energy: -329.425 where: short stacking energy: -176.340 Base-Backbone interact. energy: -2.031 local terms energy: -248.216388 where: bonds (distance) C4'-P energy: -60.582 bonds (distance) P-C4' energy: -66.803 flat angles C4'-P-C4' energy: -62.903 flat angles P-C4'-P energy: -39.161 tors. eta vs tors. theta energy: -18.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -350.181573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.181573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.181573 (E_RNA) where: Base-Base interactions energy: -134.888 where: short stacking energy: -91.093 Base-Backbone interact. energy: 0.624 local terms energy: -215.917512 where: bonds (distance) C4'-P energy: -69.581 bonds (distance) P-C4' energy: -63.261 flat angles C4'-P-C4' energy: -60.119 flat angles P-C4'-P energy: -30.196 tors. eta vs tors. theta energy: 7.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1375.713316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.713316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.713316 (E_RNA) where: Base-Base interactions energy: -930.939 where: short stacking energy: -430.777 Base-Backbone interact. energy: -0.539 local terms energy: -444.235728 where: bonds (distance) C4'-P energy: -84.219 bonds (distance) P-C4' energy: -72.681 flat angles C4'-P-C4' energy: -88.034 flat angles P-C4'-P energy: -71.207 tors. eta vs tors. theta energy: -128.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1312.802086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.802086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.802086 (E_RNA) where: Base-Base interactions energy: -908.471 where: short stacking energy: -410.407 Base-Backbone interact. energy: 4.294 local terms energy: -408.624401 where: bonds (distance) C4'-P energy: -71.548 bonds (distance) P-C4' energy: -80.775 flat angles C4'-P-C4' energy: -89.626 flat angles P-C4'-P energy: -58.319 tors. eta vs tors. theta energy: -108.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1198.430309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.430309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.430309 (E_RNA) where: Base-Base interactions energy: -797.039 where: short stacking energy: -356.734 Base-Backbone interact. energy: -1.190 local terms energy: -400.201139 where: bonds (distance) C4'-P energy: -80.181 bonds (distance) P-C4' energy: -79.678 flat angles C4'-P-C4' energy: -84.993 flat angles P-C4'-P energy: -55.497 tors. eta vs tors. theta energy: -99.852 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: 1 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1160.322009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.322009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.322009 (E_RNA) where: Base-Base interactions energy: -770.295 where: short stacking energy: -347.574 Base-Backbone interact. energy: -2.347 local terms energy: -387.679773 where: bonds (distance) C4'-P energy: -76.041 bonds (distance) P-C4' energy: -67.685 flat angles C4'-P-C4' energy: -84.982 flat angles P-C4'-P energy: -59.788 tors. eta vs tors. theta energy: -99.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1117.402731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.402731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.402731 (E_RNA) where: Base-Base interactions energy: -758.634 where: short stacking energy: -352.363 Base-Backbone interact. energy: -1.846 local terms energy: -356.922777 where: bonds (distance) C4'-P energy: -59.239 bonds (distance) P-C4' energy: -76.408 flat angles C4'-P-C4' energy: -72.436 flat angles P-C4'-P energy: -52.608 tors. eta vs tors. theta energy: -96.231 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: 2 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1028.297882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.297882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.297882 (E_RNA) where: Base-Base interactions energy: -678.517 where: short stacking energy: -290.056 Base-Backbone interact. energy: -0.765 local terms energy: -349.015959 where: bonds (distance) C4'-P energy: -74.428 bonds (distance) P-C4' energy: -80.759 flat angles C4'-P-C4' energy: -74.988 flat angles P-C4'-P energy: -48.377 tors. eta vs tors. theta energy: -70.464 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: 7, replica: 6 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -755.837414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.837414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.837414 (E_RNA) where: Base-Base interactions energy: -454.323 where: short stacking energy: -232.711 Base-Backbone interact. energy: -1.085 local terms energy: -300.429685 where: bonds (distance) C4'-P energy: -67.463 bonds (distance) P-C4' energy: -62.208 flat angles C4'-P-C4' energy: -74.593 flat angles P-C4'-P energy: -51.499 tors. eta vs tors. theta energy: -44.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -586.057020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.057020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.057020 (E_RNA) where: Base-Base interactions energy: -316.208 where: short stacking energy: -187.469 Base-Backbone interact. energy: 0.325 local terms energy: -270.174470 where: bonds (distance) C4'-P energy: -64.961 bonds (distance) P-C4' energy: -75.956 flat angles C4'-P-C4' energy: -55.742 flat angles P-C4'-P energy: -52.144 tors. eta vs tors. theta energy: -21.372 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: 5 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -571.779602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.779602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.779602 (E_RNA) where: Base-Base interactions energy: -295.569 where: short stacking energy: -160.800 Base-Backbone interact. energy: 1.066 local terms energy: -277.276516 where: bonds (distance) C4'-P energy: -60.689 bonds (distance) P-C4' energy: -82.384 flat angles C4'-P-C4' energy: -65.994 flat angles P-C4'-P energy: -43.229 tors. eta vs tors. theta energy: -24.979 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: 8 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -306.436277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.436277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.436277 (E_RNA) where: Base-Base interactions energy: -100.171 where: short stacking energy: -84.929 Base-Backbone interact. energy: -2.041 local terms energy: -204.224444 where: bonds (distance) C4'-P energy: -54.005 bonds (distance) P-C4' energy: -70.729 flat angles C4'-P-C4' energy: -68.590 flat angles P-C4'-P energy: -30.643 tors. eta vs tors. theta energy: 19.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1386.411436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.411436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.411436 (E_RNA) where: Base-Base interactions energy: -949.973 where: short stacking energy: -443.433 Base-Backbone interact. energy: 0.364 local terms energy: -436.802066 where: bonds (distance) C4'-P energy: -82.028 bonds (distance) P-C4' energy: -74.486 flat angles C4'-P-C4' energy: -88.158 flat angles P-C4'-P energy: -59.402 tors. eta vs tors. theta energy: -132.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1262.633877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.633877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.633877 (E_RNA) where: Base-Base interactions energy: -844.520 where: short stacking energy: -375.048 Base-Backbone interact. energy: 0.407 local terms energy: -418.520339 where: bonds (distance) C4'-P energy: -80.192 bonds (distance) P-C4' energy: -84.603 flat angles C4'-P-C4' energy: -83.077 flat angles P-C4'-P energy: -53.070 tors. eta vs tors. theta energy: -117.578 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: 3, replica: 9 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1217.004017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.004017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.004017 (E_RNA) where: Base-Base interactions energy: -815.929 where: short stacking energy: -374.861 Base-Backbone interact. energy: -0.907 local terms energy: -400.167937 where: bonds (distance) C4'-P energy: -81.731 bonds (distance) P-C4' energy: -81.736 flat angles C4'-P-C4' energy: -78.670 flat angles P-C4'-P energy: -51.703 tors. eta vs tors. theta energy: -106.328 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: 421 Temperature: 1.050000 Total energy: -1169.723990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.723990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.723990 (E_RNA) where: Base-Base interactions energy: -795.040 where: short stacking energy: -366.118 Base-Backbone interact. energy: -0.714 local terms energy: -373.969514 where: bonds (distance) C4'-P energy: -71.749 bonds (distance) P-C4' energy: -81.346 flat angles C4'-P-C4' energy: -70.276 flat angles P-C4'-P energy: -58.315 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: 5, replica: 4 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1092.455563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.455563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.455563 (E_RNA) where: Base-Base interactions energy: -716.217 where: short stacking energy: -323.637 Base-Backbone interact. energy: -1.571 local terms energy: -374.667134 where: bonds (distance) C4'-P energy: -74.764 bonds (distance) P-C4' energy: -66.507 flat angles C4'-P-C4' energy: -84.239 flat angles P-C4'-P energy: -59.117 tors. eta vs tors. theta energy: -90.040 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: 2 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1015.402985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.402985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.402985 (E_RNA) where: Base-Base interactions energy: -679.588 where: short stacking energy: -315.210 Base-Backbone interact. energy: -1.589 local terms energy: -334.225904 where: bonds (distance) C4'-P energy: -46.016 bonds (distance) P-C4' energy: -79.283 flat angles C4'-P-C4' energy: -72.020 flat angles P-C4'-P energy: -54.933 tors. eta vs tors. theta energy: -81.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -752.559351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.559351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.559351 (E_RNA) where: Base-Base interactions energy: -468.649 where: short stacking energy: -243.865 Base-Backbone interact. energy: 1.645 local terms energy: -285.555546 where: bonds (distance) C4'-P energy: -62.565 bonds (distance) P-C4' energy: -63.265 flat angles C4'-P-C4' energy: -62.705 flat angles P-C4'-P energy: -44.500 tors. eta vs tors. theta energy: -52.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -551.517563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.517563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.517563 (E_RNA) where: Base-Base interactions energy: -307.540 where: short stacking energy: -156.395 Base-Backbone interact. energy: -1.512 local terms energy: -242.465283 where: bonds (distance) C4'-P energy: -58.255 bonds (distance) P-C4' energy: -74.185 flat angles C4'-P-C4' energy: -57.518 flat angles P-C4'-P energy: -45.484 tors. eta vs tors. theta energy: -7.023 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: 5 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -583.965070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.965070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.965070 (E_RNA) where: Base-Base interactions energy: -303.688 where: short stacking energy: -166.197 Base-Backbone interact. energy: 0.987 local terms energy: -281.264149 where: bonds (distance) C4'-P energy: -59.057 bonds (distance) P-C4' energy: -79.662 flat angles C4'-P-C4' energy: -68.607 flat angles P-C4'-P energy: -42.279 tors. eta vs tors. theta energy: -31.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -379.340044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.340044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.340044 (E_RNA) where: Base-Base interactions energy: -152.841 where: short stacking energy: -101.861 Base-Backbone interact. energy: 0.659 local terms energy: -227.158033 where: bonds (distance) C4'-P energy: -64.152 bonds (distance) P-C4' energy: -64.627 flat angles C4'-P-C4' energy: -57.216 flat angles P-C4'-P energy: -41.827 tors. eta vs tors. theta energy: 0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1389.971248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.971248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.971248 (E_RNA) where: Base-Base interactions energy: -945.445 where: short stacking energy: -425.103 Base-Backbone interact. energy: -1.218 local terms energy: -443.307504 where: bonds (distance) C4'-P energy: -81.477 bonds (distance) P-C4' energy: -80.502 flat angles C4'-P-C4' energy: -90.849 flat angles P-C4'-P energy: -57.076 tors. eta vs tors. theta energy: -133.404 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: 2, replica: 7 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1267.863258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.863258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.863258 (E_RNA) where: Base-Base interactions energy: -845.592 where: short stacking energy: -365.951 Base-Backbone interact. energy: -0.780 local terms energy: -421.491274 where: bonds (distance) C4'-P energy: -83.854 bonds (distance) P-C4' energy: -77.750 flat angles C4'-P-C4' energy: -86.500 flat angles P-C4'-P energy: -63.212 tors. eta vs tors. theta energy: -110.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1202.137780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.137780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.137780 (E_RNA) where: Base-Base interactions energy: -806.771 where: short stacking energy: -377.501 Base-Backbone interact. energy: 0.379 local terms energy: -395.746097 where: bonds (distance) C4'-P energy: -76.960 bonds (distance) P-C4' energy: -67.847 flat angles C4'-P-C4' energy: -74.599 flat angles P-C4'-P energy: -56.282 tors. eta vs tors. theta energy: -120.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1164.632116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.632116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.632116 (E_RNA) where: Base-Base interactions energy: -772.831 where: short stacking energy: -341.260 Base-Backbone interact. energy: 0.181 local terms energy: -391.982138 where: bonds (distance) C4'-P energy: -78.184 bonds (distance) P-C4' energy: -67.178 flat angles C4'-P-C4' energy: -89.032 flat angles P-C4'-P energy: -53.513 tors. eta vs tors. theta energy: -104.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1107.645842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.645842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.645842 (E_RNA) where: Base-Base interactions energy: -744.208 where: short stacking energy: -325.224 Base-Backbone interact. energy: -2.499 local terms energy: -360.939388 where: bonds (distance) C4'-P energy: -74.838 bonds (distance) P-C4' energy: -79.951 flat angles C4'-P-C4' energy: -74.312 flat angles P-C4'-P energy: -42.121 tors. eta vs tors. theta energy: -89.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1054.799082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.799082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.799082 (E_RNA) where: Base-Base interactions energy: -706.351 where: short stacking energy: -312.409 Base-Backbone interact. energy: -2.227 local terms energy: -346.221522 where: bonds (distance) C4'-P energy: -65.235 bonds (distance) P-C4' energy: -72.415 flat angles C4'-P-C4' energy: -76.086 flat angles P-C4'-P energy: -43.227 tors. eta vs tors. theta energy: -89.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -745.056441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.056441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.056441 (E_RNA) where: Base-Base interactions energy: -445.122 where: short stacking energy: -236.115 Base-Backbone interact. energy: -0.041 local terms energy: -299.894036 where: bonds (distance) C4'-P energy: -57.364 bonds (distance) P-C4' energy: -72.411 flat angles C4'-P-C4' energy: -66.345 flat angles P-C4'-P energy: -53.668 tors. eta vs tors. theta energy: -50.106 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: 8, replica: 3 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -529.951852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.951852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.951852 (E_RNA) where: Base-Base interactions energy: -277.975 where: short stacking energy: -159.618 Base-Backbone interact. energy: 0.879 local terms energy: -252.856137 where: bonds (distance) C4'-P energy: -63.756 bonds (distance) P-C4' energy: -53.642 flat angles C4'-P-C4' energy: -68.876 flat angles P-C4'-P energy: -41.869 tors. eta vs tors. theta energy: -24.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -576.340586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.340586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.340586 (E_RNA) where: Base-Base interactions energy: -301.339 where: short stacking energy: -153.360 Base-Backbone interact. energy: -1.300 local terms energy: -273.701493 where: bonds (distance) C4'-P energy: -68.398 bonds (distance) P-C4' energy: -77.825 flat angles C4'-P-C4' energy: -77.021 flat angles P-C4'-P energy: -36.069 tors. eta vs tors. theta energy: -14.389 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: 10, replica: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -389.860003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.860003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.860003 (E_RNA) where: Base-Base interactions energy: -145.007 where: short stacking energy: -90.266 Base-Backbone interact. energy: 0.669 local terms energy: -245.522487 where: bonds (distance) C4'-P energy: -77.448 bonds (distance) P-C4' energy: -58.588 flat angles C4'-P-C4' energy: -62.761 flat angles P-C4'-P energy: -49.897 tors. eta vs tors. theta energy: 3.173 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: 10 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1362.533796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.533796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.533796 (E_RNA) where: Base-Base interactions energy: -932.701 where: short stacking energy: -416.367 Base-Backbone interact. energy: -0.919 local terms energy: -428.913699 where: bonds (distance) C4'-P energy: -74.773 bonds (distance) P-C4' energy: -84.956 flat angles C4'-P-C4' energy: -88.706 flat angles P-C4'-P energy: -56.861 tors. eta vs tors. theta energy: -123.617 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: 7 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1259.886205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.886205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.886205 (E_RNA) where: Base-Base interactions energy: -840.223 where: short stacking energy: -358.816 Base-Backbone interact. energy: -4.023 local terms energy: -415.639520 where: bonds (distance) C4'-P energy: -77.457 bonds (distance) P-C4' energy: -84.995 flat angles C4'-P-C4' energy: -82.632 flat angles P-C4'-P energy: -63.866 tors. eta vs tors. theta energy: -106.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1172.795203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.795203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.795203 (E_RNA) where: Base-Base interactions energy: -761.175 where: short stacking energy: -373.076 Base-Backbone interact. energy: 1.079 local terms energy: -412.698704 where: bonds (distance) C4'-P energy: -79.281 bonds (distance) P-C4' energy: -82.349 flat angles C4'-P-C4' energy: -73.116 flat angles P-C4'-P energy: -64.374 tors. eta vs tors. theta energy: -113.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1169.741043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.741043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.741043 (E_RNA) where: Base-Base interactions energy: -781.978 where: short stacking energy: -351.531 Base-Backbone interact. energy: -1.381 local terms energy: -386.382539 where: bonds (distance) C4'-P energy: -62.286 bonds (distance) P-C4' energy: -75.159 flat angles C4'-P-C4' energy: -88.048 flat angles P-C4'-P energy: -58.047 tors. eta vs tors. theta energy: -102.843 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: 4 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1109.206898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.206898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.206898 (E_RNA) where: Base-Base interactions energy: -741.534 where: short stacking energy: -362.468 Base-Backbone interact. energy: 1.456 local terms energy: -369.129226 where: bonds (distance) C4'-P energy: -62.167 bonds (distance) P-C4' energy: -63.732 flat angles C4'-P-C4' energy: -75.233 flat angles P-C4'-P energy: -55.331 tors. eta vs tors. theta energy: -112.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -982.932043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.932043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.932043 (E_RNA) where: Base-Base interactions energy: -658.748 where: short stacking energy: -292.402 Base-Backbone interact. energy: -2.048 local terms energy: -322.135347 where: bonds (distance) C4'-P energy: -68.755 bonds (distance) P-C4' energy: -76.701 flat angles C4'-P-C4' energy: -80.188 flat angles P-C4'-P energy: -30.284 tors. eta vs tors. theta energy: -66.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -704.548423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.548423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.548423 (E_RNA) where: Base-Base interactions energy: -400.745 where: short stacking energy: -199.265 Base-Backbone interact. energy: 5.210 local terms energy: -309.013396 where: bonds (distance) C4'-P energy: -63.455 bonds (distance) P-C4' energy: -82.541 flat angles C4'-P-C4' energy: -68.047 flat angles P-C4'-P energy: -53.989 tors. eta vs tors. theta energy: -40.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -570.677713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.677713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.677713 (E_RNA) where: Base-Base interactions energy: -304.565 where: short stacking energy: -199.477 Base-Backbone interact. energy: -0.732 local terms energy: -265.380917 where: bonds (distance) C4'-P energy: -60.391 bonds (distance) P-C4' energy: -71.659 flat angles C4'-P-C4' energy: -75.156 flat angles P-C4'-P energy: -30.789 tors. eta vs tors. theta energy: -27.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -587.926978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.926978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.926978 (E_RNA) where: Base-Base interactions energy: -341.836 where: short stacking energy: -191.510 Base-Backbone interact. energy: -1.016 local terms energy: -245.075094 where: bonds (distance) C4'-P energy: -59.038 bonds (distance) P-C4' energy: -60.304 flat angles C4'-P-C4' energy: -56.850 flat angles P-C4'-P energy: -39.005 tors. eta vs tors. theta energy: -29.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -386.838254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.838254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.838254 (E_RNA) where: Base-Base interactions energy: -157.552 where: short stacking energy: -113.797 Base-Backbone interact. energy: -0.389 local terms energy: -228.897509 where: bonds (distance) C4'-P energy: -62.279 bonds (distance) P-C4' energy: -68.661 flat angles C4'-P-C4' energy: -52.944 flat angles P-C4'-P energy: -38.199 tors. eta vs tors. theta energy: -6.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1347.987715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.987715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.987715 (E_RNA) where: Base-Base interactions energy: -915.637 where: short stacking energy: -400.923 Base-Backbone interact. energy: -1.186 local terms energy: -431.165369 where: bonds (distance) C4'-P energy: -72.932 bonds (distance) P-C4' energy: -80.281 flat angles C4'-P-C4' energy: -91.605 flat angles P-C4'-P energy: -59.042 tors. eta vs tors. theta energy: -127.306 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: 7 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1259.074595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.074595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.074595 (E_RNA) where: Base-Base interactions energy: -856.445 where: short stacking energy: -358.281 Base-Backbone interact. energy: 1.517 local terms energy: -404.146576 where: bonds (distance) C4'-P energy: -71.841 bonds (distance) P-C4' energy: -87.159 flat angles C4'-P-C4' energy: -86.940 flat angles P-C4'-P energy: -54.761 tors. eta vs tors. theta energy: -103.445 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: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1193.034952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.034952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.034952 (E_RNA) where: Base-Base interactions energy: -787.510 where: short stacking energy: -367.477 Base-Backbone interact. energy: -0.323 local terms energy: -405.202279 where: bonds (distance) C4'-P energy: -71.815 bonds (distance) P-C4' energy: -81.300 flat angles C4'-P-C4' energy: -83.969 flat angles P-C4'-P energy: -62.813 tors. eta vs tors. theta energy: -105.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1132.013754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.013754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.013754 (E_RNA) where: Base-Base interactions energy: -776.622 where: short stacking energy: -342.311 Base-Backbone interact. energy: -1.761 local terms energy: -353.631378 where: bonds (distance) C4'-P energy: -68.146 bonds (distance) P-C4' energy: -63.945 flat angles C4'-P-C4' energy: -84.478 flat angles P-C4'-P energy: -38.758 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: 5, replica: 4 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1123.224128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.224128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.224128 (E_RNA) where: Base-Base interactions energy: -743.264 where: short stacking energy: -332.624 Base-Backbone interact. energy: -1.319 local terms energy: -378.641346 where: bonds (distance) C4'-P energy: -69.358 bonds (distance) P-C4' energy: -64.220 flat angles C4'-P-C4' energy: -82.321 flat angles P-C4'-P energy: -59.910 tors. eta vs tors. theta energy: -102.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -997.234257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.234257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.234257 (E_RNA) where: Base-Base interactions energy: -668.004 where: short stacking energy: -295.363 Base-Backbone interact. energy: -2.688 local terms energy: -326.541655 where: bonds (distance) C4'-P energy: -52.281 bonds (distance) P-C4' energy: -76.237 flat angles C4'-P-C4' energy: -83.507 flat angles P-C4'-P energy: -43.842 tors. eta vs tors. theta energy: -70.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -698.028975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.028975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.028975 (E_RNA) where: Base-Base interactions energy: -419.254 where: short stacking energy: -201.575 Base-Backbone interact. energy: -0.615 local terms energy: -278.159500 where: bonds (distance) C4'-P energy: -64.366 bonds (distance) P-C4' energy: -66.160 flat angles C4'-P-C4' energy: -76.563 flat angles P-C4'-P energy: -38.152 tors. eta vs tors. theta energy: -32.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -560.356952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.356952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.356952 (E_RNA) where: Base-Base interactions energy: -292.695 where: short stacking energy: -171.724 Base-Backbone interact. energy: -0.263 local terms energy: -267.398363 where: bonds (distance) C4'-P energy: -52.044 bonds (distance) P-C4' energy: -77.926 flat angles C4'-P-C4' energy: -66.899 flat angles P-C4'-P energy: -49.585 tors. eta vs tors. theta energy: -20.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -616.992759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.992759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.992759 (E_RNA) where: Base-Base interactions energy: -336.555 where: short stacking energy: -196.016 Base-Backbone interact. energy: -1.710 local terms energy: -278.727573 where: bonds (distance) C4'-P energy: -66.145 bonds (distance) P-C4' energy: -62.989 flat angles C4'-P-C4' energy: -65.968 flat angles P-C4'-P energy: -34.810 tors. eta vs tors. theta energy: -48.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -438.293889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.293889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.293889 (E_RNA) where: Base-Base interactions energy: -225.547 where: short stacking energy: -129.514 Base-Backbone interact. energy: -2.139 local terms energy: -210.607871 where: bonds (distance) C4'-P energy: -61.954 bonds (distance) P-C4' energy: -69.984 flat angles C4'-P-C4' energy: -51.361 flat angles P-C4'-P energy: -28.320 tors. eta vs tors. theta energy: 1.011 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: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1357.996382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.996382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.996382 (E_RNA) where: Base-Base interactions energy: -916.396 where: short stacking energy: -428.665 Base-Backbone interact. energy: -1.348 local terms energy: -440.252277 where: bonds (distance) C4'-P energy: -76.745 bonds (distance) P-C4' energy: -87.788 flat angles C4'-P-C4' energy: -91.015 flat angles P-C4'-P energy: -57.164 tors. eta vs tors. theta energy: -127.539 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: 7 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1254.673494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.673494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.673494 (E_RNA) where: Base-Base interactions energy: -853.069 where: short stacking energy: -375.836 Base-Backbone interact. energy: -2.397 local terms energy: -399.207365 where: bonds (distance) C4'-P energy: -74.532 bonds (distance) P-C4' energy: -82.000 flat angles C4'-P-C4' energy: -87.864 flat angles P-C4'-P energy: -52.892 tors. eta vs tors. theta energy: -101.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1237.480177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.480177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.480177 (E_RNA) where: Base-Base interactions energy: -823.907 where: short stacking energy: -389.277 Base-Backbone interact. energy: 0.493 local terms energy: -414.066149 where: bonds (distance) C4'-P energy: -61.198 bonds (distance) P-C4' energy: -93.644 flat angles C4'-P-C4' energy: -87.502 flat angles P-C4'-P energy: -58.493 tors. eta vs tors. theta energy: -113.229 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: 9 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1142.596359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.596359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.596359 (E_RNA) where: Base-Base interactions energy: -738.944 where: short stacking energy: -359.646 Base-Backbone interact. energy: 0.507 local terms energy: -404.159730 where: bonds (distance) C4'-P energy: -74.626 bonds (distance) P-C4' energy: -76.681 flat angles C4'-P-C4' energy: -85.859 flat angles P-C4'-P energy: -56.832 tors. eta vs tors. theta energy: -110.161 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: 4 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1077.889967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.889967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.889967 (E_RNA) where: Base-Base interactions energy: -723.877 where: short stacking energy: -338.922 Base-Backbone interact. energy: -1.916 local terms energy: -352.096648 where: bonds (distance) C4'-P energy: -64.882 bonds (distance) P-C4' energy: -65.766 flat angles C4'-P-C4' energy: -66.479 flat angles P-C4'-P energy: -49.604 tors. eta vs tors. theta energy: -105.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1001.785233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.785233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.785233 (E_RNA) where: Base-Base interactions energy: -645.461 where: short stacking energy: -307.188 Base-Backbone interact. energy: 0.970 local terms energy: -357.294015 where: bonds (distance) C4'-P energy: -69.414 bonds (distance) P-C4' energy: -82.988 flat angles C4'-P-C4' energy: -81.291 flat angles P-C4'-P energy: -42.775 tors. eta vs tors. theta energy: -80.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -683.830317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.830317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.830317 (E_RNA) where: Base-Base interactions energy: -387.568 where: short stacking energy: -186.901 Base-Backbone interact. energy: -0.830 local terms energy: -295.431648 where: bonds (distance) C4'-P energy: -71.281 bonds (distance) P-C4' energy: -82.999 flat angles C4'-P-C4' energy: -72.240 flat angles P-C4'-P energy: -33.536 tors. eta vs tors. theta energy: -35.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -587.779188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.779188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.779188 (E_RNA) where: Base-Base interactions energy: -329.961 where: short stacking energy: -189.511 Base-Backbone interact. energy: 1.459 local terms energy: -259.276925 where: bonds (distance) C4'-P energy: -68.637 bonds (distance) P-C4' energy: -72.186 flat angles C4'-P-C4' energy: -61.055 flat angles P-C4'-P energy: -35.911 tors. eta vs tors. theta energy: -21.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -501.525207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.525207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.525207 (E_RNA) where: Base-Base interactions energy: -250.271 where: short stacking energy: -141.729 Base-Backbone interact. energy: -1.508 local terms energy: -249.745656 where: bonds (distance) C4'-P energy: -76.515 bonds (distance) P-C4' energy: -67.350 flat angles C4'-P-C4' energy: -60.084 flat angles P-C4'-P energy: -34.204 tors. eta vs tors. theta energy: -11.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -451.837678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.837678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.837678 (E_RNA) where: Base-Base interactions energy: -250.766 where: short stacking energy: -138.489 Base-Backbone interact. energy: 5.271 local terms energy: -206.342859 where: bonds (distance) C4'-P energy: -54.086 bonds (distance) P-C4' energy: -47.945 flat angles C4'-P-C4' energy: -53.267 flat angles P-C4'-P energy: -35.309 tors. eta vs tors. theta energy: -15.736 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: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1361.002515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.002515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.002515 (E_RNA) where: Base-Base interactions energy: -918.744 where: short stacking energy: -433.114 Base-Backbone interact. energy: 2.209 local terms energy: -444.468020 where: bonds (distance) C4'-P energy: -81.554 bonds (distance) P-C4' energy: -81.767 flat angles C4'-P-C4' energy: -84.551 flat angles P-C4'-P energy: -65.974 tors. eta vs tors. theta energy: -130.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1242.235311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.235311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.235311 (E_RNA) where: Base-Base interactions energy: -836.867 where: short stacking energy: -358.561 Base-Backbone interact. energy: -1.752 local terms energy: -403.615973 where: bonds (distance) C4'-P energy: -81.353 bonds (distance) P-C4' energy: -71.114 flat angles C4'-P-C4' energy: -91.107 flat angles P-C4'-P energy: -59.644 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: 3, replica: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1235.633540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.633540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.633540 (E_RNA) where: Base-Base interactions energy: -815.525 where: short stacking energy: -379.285 Base-Backbone interact. energy: -0.834 local terms energy: -419.274675 where: bonds (distance) C4'-P energy: -74.180 bonds (distance) P-C4' energy: -80.751 flat angles C4'-P-C4' energy: -89.799 flat angles P-C4'-P energy: -56.395 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: 4, replica: 9 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1135.162667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.162667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.162667 (E_RNA) where: Base-Base interactions energy: -752.155 where: short stacking energy: -352.040 Base-Backbone interact. energy: 0.821 local terms energy: -383.828825 where: bonds (distance) C4'-P energy: -68.579 bonds (distance) P-C4' energy: -71.220 flat angles C4'-P-C4' energy: -85.408 flat angles P-C4'-P energy: -53.449 tors. eta vs tors. theta energy: -105.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1082.708930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.708930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.708930 (E_RNA) where: Base-Base interactions energy: -721.455 where: short stacking energy: -318.417 Base-Backbone interact. energy: 1.434 local terms energy: -362.687670 where: bonds (distance) C4'-P energy: -57.909 bonds (distance) P-C4' energy: -67.690 flat angles C4'-P-C4' energy: -71.691 flat angles P-C4'-P energy: -58.997 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: 2 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -958.403990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.403990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.403990 (E_RNA) where: Base-Base interactions energy: -636.144 where: short stacking energy: -291.310 Base-Backbone interact. energy: -0.963 local terms energy: -321.296179 where: bonds (distance) C4'-P energy: -53.474 bonds (distance) P-C4' energy: -73.985 flat angles C4'-P-C4' energy: -77.043 flat angles P-C4'-P energy: -41.432 tors. eta vs tors. theta energy: -75.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -661.733746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.733746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.733746 (E_RNA) where: Base-Base interactions energy: -378.278 where: short stacking energy: -178.007 Base-Backbone interact. energy: -1.666 local terms energy: -281.789039 where: bonds (distance) C4'-P energy: -55.178 bonds (distance) P-C4' energy: -79.261 flat angles C4'-P-C4' energy: -75.868 flat angles P-C4'-P energy: -38.644 tors. eta vs tors. theta energy: -32.838 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: 8, replica: 5 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -607.997122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.997122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.997122 (E_RNA) where: Base-Base interactions energy: -345.823 where: short stacking energy: -178.144 Base-Backbone interact. energy: -1.258 local terms energy: -260.915651 where: bonds (distance) C4'-P energy: -68.574 bonds (distance) P-C4' energy: -75.209 flat angles C4'-P-C4' energy: -59.045 flat angles P-C4'-P energy: -30.732 tors. eta vs tors. theta energy: -27.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -491.347699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.347699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.347699 (E_RNA) where: Base-Base interactions energy: -254.490 where: short stacking energy: -153.889 Base-Backbone interact. energy: -1.517 local terms energy: -235.340472 where: bonds (distance) C4'-P energy: -58.567 bonds (distance) P-C4' energy: -60.366 flat angles C4'-P-C4' energy: -64.039 flat angles P-C4'-P energy: -40.873 tors. eta vs tors. theta energy: -11.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -491.181089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.181089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.181089 (E_RNA) where: Base-Base interactions energy: -247.269 where: short stacking energy: -130.490 Base-Backbone interact. energy: -2.837 local terms energy: -241.074525 where: bonds (distance) C4'-P energy: -56.785 bonds (distance) P-C4' energy: -72.619 flat angles C4'-P-C4' energy: -59.065 flat angles P-C4'-P energy: -34.793 tors. eta vs tors. theta energy: -17.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1349.259271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.259271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.259271 (E_RNA) where: Base-Base interactions energy: -905.926 where: short stacking energy: -432.319 Base-Backbone interact. energy: -2.097 local terms energy: -441.235649 where: bonds (distance) C4'-P energy: -79.006 bonds (distance) P-C4' energy: -82.520 flat angles C4'-P-C4' energy: -86.056 flat angles P-C4'-P energy: -62.077 tors. eta vs tors. theta energy: -131.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1247.422141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.422141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.422141 (E_RNA) where: Base-Base interactions energy: -858.997 where: short stacking energy: -368.414 Base-Backbone interact. energy: -0.527 local terms energy: -387.897399 where: bonds (distance) C4'-P energy: -78.091 bonds (distance) P-C4' energy: -78.121 flat angles C4'-P-C4' energy: -84.571 flat angles P-C4'-P energy: -50.954 tors. eta vs tors. theta energy: -96.160 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: 3, replica: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1227.901629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.901629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.901629 (E_RNA) where: Base-Base interactions energy: -798.728 where: short stacking energy: -362.940 Base-Backbone interact. energy: -1.733 local terms energy: -427.440223 where: bonds (distance) C4'-P energy: -77.849 bonds (distance) P-C4' energy: -79.156 flat angles C4'-P-C4' energy: -94.823 flat angles P-C4'-P energy: -55.840 tors. eta vs tors. theta energy: -119.773 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: 4, replica: 9 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1114.398941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.398941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.398941 (E_RNA) where: Base-Base interactions energy: -722.519 where: short stacking energy: -347.360 Base-Backbone interact. energy: -0.803 local terms energy: -391.076520 where: bonds (distance) C4'-P energy: -72.679 bonds (distance) P-C4' energy: -81.578 flat angles C4'-P-C4' energy: -92.367 flat angles P-C4'-P energy: -47.720 tors. eta vs tors. theta energy: -96.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1101.281140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.281140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.281140 (E_RNA) where: Base-Base interactions energy: -718.564 where: short stacking energy: -310.632 Base-Backbone interact. energy: 1.340 local terms energy: -384.057580 where: bonds (distance) C4'-P energy: -72.729 bonds (distance) P-C4' energy: -81.659 flat angles C4'-P-C4' energy: -83.656 flat angles P-C4'-P energy: -52.299 tors. eta vs tors. theta energy: -93.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -924.060192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.060192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.060192 (E_RNA) where: Base-Base interactions energy: -592.964 where: short stacking energy: -249.914 Base-Backbone interact. energy: -1.914 local terms energy: -329.182081 where: bonds (distance) C4'-P energy: -61.534 bonds (distance) P-C4' energy: -78.628 flat angles C4'-P-C4' energy: -78.418 flat angles P-C4'-P energy: -43.612 tors. eta vs tors. theta energy: -66.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -645.078189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.078189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.078189 (E_RNA) where: Base-Base interactions energy: -358.966 where: short stacking energy: -195.893 Base-Backbone interact. energy: -1.008 local terms energy: -285.104300 where: bonds (distance) C4'-P energy: -78.446 bonds (distance) P-C4' energy: -85.129 flat angles C4'-P-C4' energy: -62.571 flat angles P-C4'-P energy: -33.780 tors. eta vs tors. theta energy: -25.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -692.433733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.433733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.433733 (E_RNA) where: Base-Base interactions energy: -415.444 where: short stacking energy: -215.027 Base-Backbone interact. energy: 0.213 local terms energy: -277.202977 where: bonds (distance) C4'-P energy: -67.601 bonds (distance) P-C4' energy: -74.861 flat angles C4'-P-C4' energy: -57.811 flat angles P-C4'-P energy: -34.939 tors. eta vs tors. theta energy: -41.991 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: 427 Temperature: 1.300000 Total energy: -488.149917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.149917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.149917 (E_RNA) where: Base-Base interactions energy: -259.171 where: short stacking energy: -156.925 Base-Backbone interact. energy: -0.124 local terms energy: -228.854352 where: bonds (distance) C4'-P energy: -52.947 bonds (distance) P-C4' energy: -67.985 flat angles C4'-P-C4' energy: -62.607 flat angles P-C4'-P energy: -31.347 tors. eta vs tors. theta energy: -13.969 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: 3 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -471.740044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.740044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.740044 (E_RNA) where: Base-Base interactions energy: -226.839 where: short stacking energy: -131.514 Base-Backbone interact. energy: 0.567 local terms energy: -245.468239 where: bonds (distance) C4'-P energy: -75.480 bonds (distance) P-C4' energy: -68.168 flat angles C4'-P-C4' energy: -60.140 flat angles P-C4'-P energy: -37.552 tors. eta vs tors. theta energy: -4.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1367.796289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.796289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.796289 (E_RNA) where: Base-Base interactions energy: -931.576 where: short stacking energy: -425.180 Base-Backbone interact. energy: -0.853 local terms energy: -435.367086 where: bonds (distance) C4'-P energy: -68.000 bonds (distance) P-C4' energy: -84.757 flat angles C4'-P-C4' energy: -88.411 flat angles P-C4'-P energy: -65.171 tors. eta vs tors. theta energy: -129.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1239.500306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.500306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.500306 (E_RNA) where: Base-Base interactions energy: -838.674 where: short stacking energy: -360.492 Base-Backbone interact. energy: -2.866 local terms energy: -397.960761 where: bonds (distance) C4'-P energy: -74.378 bonds (distance) P-C4' energy: -85.541 flat angles C4'-P-C4' energy: -84.229 flat angles P-C4'-P energy: -60.345 tors. eta vs tors. theta energy: -93.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1228.363551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.363551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.363551 (E_RNA) where: Base-Base interactions energy: -831.114 where: short stacking energy: -363.761 Base-Backbone interact. energy: -1.989 local terms energy: -395.260604 where: bonds (distance) C4'-P energy: -66.864 bonds (distance) P-C4' energy: -78.250 flat angles C4'-P-C4' energy: -85.582 flat angles P-C4'-P energy: -58.012 tors. eta vs tors. theta energy: -106.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1142.981135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.981135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.981135 (E_RNA) where: Base-Base interactions energy: -770.715 where: short stacking energy: -364.317 Base-Backbone interact. energy: 0.594 local terms energy: -372.859402 where: bonds (distance) C4'-P energy: -66.408 bonds (distance) P-C4' energy: -68.274 flat angles C4'-P-C4' energy: -84.744 flat angles P-C4'-P energy: -51.184 tors. eta vs tors. theta energy: -102.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1091.057851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.057851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.057851 (E_RNA) where: Base-Base interactions energy: -724.056 where: short stacking energy: -337.620 Base-Backbone interact. energy: 2.773 local terms energy: -369.774496 where: bonds (distance) C4'-P energy: -72.646 bonds (distance) P-C4' energy: -73.170 flat angles C4'-P-C4' energy: -83.138 flat angles P-C4'-P energy: -47.329 tors. eta vs tors. theta energy: -93.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -948.851392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.851392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.851392 (E_RNA) where: Base-Base interactions energy: -616.220 where: short stacking energy: -280.136 Base-Backbone interact. energy: 2.632 local terms energy: -335.263899 where: bonds (distance) C4'-P energy: -69.515 bonds (distance) P-C4' energy: -64.427 flat angles C4'-P-C4' energy: -73.846 flat angles P-C4'-P energy: -52.775 tors. eta vs tors. theta energy: -74.702 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: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -735.777111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.777111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.777111 (E_RNA) where: Base-Base interactions energy: -466.033 where: short stacking energy: -231.616 Base-Backbone interact. energy: 3.905 local terms energy: -273.649683 where: bonds (distance) C4'-P energy: -60.299 bonds (distance) P-C4' energy: -69.103 flat angles C4'-P-C4' energy: -62.048 flat angles P-C4'-P energy: -38.669 tors. eta vs tors. theta energy: -43.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -637.797139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.797139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.797139 (E_RNA) where: Base-Base interactions energy: -373.701 where: short stacking energy: -191.504 Base-Backbone interact. energy: -2.430 local terms energy: -261.666367 where: bonds (distance) C4'-P energy: -46.976 bonds (distance) P-C4' energy: -76.562 flat angles C4'-P-C4' energy: -70.732 flat angles P-C4'-P energy: -36.166 tors. eta vs tors. theta energy: -31.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -512.271700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.271700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.271700 (E_RNA) where: Base-Base interactions energy: -267.342 where: short stacking energy: -155.061 Base-Backbone interact. energy: 2.406 local terms energy: -247.335611 where: bonds (distance) C4'-P energy: -70.223 bonds (distance) P-C4' energy: -69.702 flat angles C4'-P-C4' energy: -48.796 flat angles P-C4'-P energy: -40.024 tors. eta vs tors. theta energy: -18.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -481.418347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.418347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.418347 (E_RNA) where: Base-Base interactions energy: -259.449 where: short stacking energy: -148.709 Base-Backbone interact. energy: 0.493 local terms energy: -222.462128 where: bonds (distance) C4'-P energy: -64.134 bonds (distance) P-C4' energy: -71.583 flat angles C4'-P-C4' energy: -47.254 flat angles P-C4'-P energy: -36.207 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1375.631517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.631517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.631517 (E_RNA) where: Base-Base interactions energy: -942.477 where: short stacking energy: -431.151 Base-Backbone interact. energy: -0.201 local terms energy: -432.953376 where: bonds (distance) C4'-P energy: -75.623 bonds (distance) P-C4' energy: -85.407 flat angles C4'-P-C4' energy: -86.422 flat angles P-C4'-P energy: -53.815 tors. eta vs tors. theta energy: -131.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1269.145399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.145399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.145399 (E_RNA) where: Base-Base interactions energy: -867.399 where: short stacking energy: -365.292 Base-Backbone interact. energy: -1.884 local terms energy: -399.862269 where: bonds (distance) C4'-P energy: -77.452 bonds (distance) P-C4' energy: -74.378 flat angles C4'-P-C4' energy: -88.172 flat angles P-C4'-P energy: -50.999 tors. eta vs tors. theta energy: -108.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1234.048051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.048051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.048051 (E_RNA) where: Base-Base interactions energy: -830.232 where: short stacking energy: -378.998 Base-Backbone interact. energy: -0.982 local terms energy: -402.834199 where: bonds (distance) C4'-P energy: -73.571 bonds (distance) P-C4' energy: -76.686 flat angles C4'-P-C4' energy: -80.327 flat angles P-C4'-P energy: -56.804 tors. eta vs tors. theta energy: -115.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1162.082155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.082155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.082155 (E_RNA) where: Base-Base interactions energy: -770.565 where: short stacking energy: -359.691 Base-Backbone interact. energy: -1.513 local terms energy: -390.004250 where: bonds (distance) C4'-P energy: -71.667 bonds (distance) P-C4' energy: -58.826 flat angles C4'-P-C4' energy: -85.925 flat angles P-C4'-P energy: -60.218 tors. eta vs tors. theta energy: -113.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1120.275556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.275556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.275556 (E_RNA) where: Base-Base interactions energy: -741.304 where: short stacking energy: -328.080 Base-Backbone interact. energy: 1.964 local terms energy: -380.935600 where: bonds (distance) C4'-P energy: -71.721 bonds (distance) P-C4' energy: -85.337 flat angles C4'-P-C4' energy: -82.668 flat angles P-C4'-P energy: -48.028 tors. eta vs tors. theta energy: -93.182 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: 2 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -944.201365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.201365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.201365 (E_RNA) where: Base-Base interactions energy: -628.986 where: short stacking energy: -263.912 Base-Backbone interact. energy: -0.941 local terms energy: -314.274508 where: bonds (distance) C4'-P energy: -67.078 bonds (distance) P-C4' energy: -82.086 flat angles C4'-P-C4' energy: -64.306 flat angles P-C4'-P energy: -41.222 tors. eta vs tors. theta energy: -59.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -710.849229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.849229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.849229 (E_RNA) where: Base-Base interactions energy: -438.263 where: short stacking energy: -209.286 Base-Backbone interact. energy: 1.552 local terms energy: -274.137909 where: bonds (distance) C4'-P energy: -68.512 bonds (distance) P-C4' energy: -68.493 flat angles C4'-P-C4' energy: -62.661 flat angles P-C4'-P energy: -43.708 tors. eta vs tors. theta energy: -30.763 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: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -616.308023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.308023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.308023 (E_RNA) where: Base-Base interactions energy: -348.884 where: short stacking energy: -177.446 Base-Backbone interact. energy: 1.765 local terms energy: -269.189558 where: bonds (distance) C4'-P energy: -76.566 bonds (distance) P-C4' energy: -71.445 flat angles C4'-P-C4' energy: -62.349 flat angles P-C4'-P energy: -40.670 tors. eta vs tors. theta energy: -18.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -539.539362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.539362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.539362 (E_RNA) where: Base-Base interactions energy: -299.111 where: short stacking energy: -164.981 Base-Backbone interact. energy: 1.229 local terms energy: -241.657064 where: bonds (distance) C4'-P energy: -63.391 bonds (distance) P-C4' energy: -61.615 flat angles C4'-P-C4' energy: -65.321 flat angles P-C4'-P energy: -36.490 tors. eta vs tors. theta energy: -14.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -447.450949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.450949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.450949 (E_RNA) where: Base-Base interactions energy: -218.499 where: short stacking energy: -129.307 Base-Backbone interact. energy: -0.731 local terms energy: -228.220917 where: bonds (distance) C4'-P energy: -56.993 bonds (distance) P-C4' energy: -65.952 flat angles C4'-P-C4' energy: -61.339 flat angles P-C4'-P energy: -38.842 tors. eta vs tors. theta energy: -5.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1377.238003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.238003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.238003 (E_RNA) where: Base-Base interactions energy: -935.543 where: short stacking energy: -429.956 Base-Backbone interact. energy: -0.495 local terms energy: -441.200498 where: bonds (distance) C4'-P energy: -74.520 bonds (distance) P-C4' energy: -82.453 flat angles C4'-P-C4' energy: -93.205 flat angles P-C4'-P energy: -59.870 tors. eta vs tors. theta energy: -131.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1251.670692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.670692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.670692 (E_RNA) where: Base-Base interactions energy: -859.276 where: short stacking energy: -379.331 Base-Backbone interact. energy: -2.070 local terms energy: -390.324097 where: bonds (distance) C4'-P energy: -72.283 bonds (distance) P-C4' energy: -67.029 flat angles C4'-P-C4' energy: -94.763 flat angles P-C4'-P energy: -56.318 tors. eta vs tors. theta energy: -99.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1218.910358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.910358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.910358 (E_RNA) where: Base-Base interactions energy: -823.314 where: short stacking energy: -368.423 Base-Backbone interact. energy: -0.443 local terms energy: -395.153382 where: bonds (distance) C4'-P energy: -71.991 bonds (distance) P-C4' energy: -75.326 flat angles C4'-P-C4' energy: -82.913 flat angles P-C4'-P energy: -53.732 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: 4, replica: 9 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1108.505896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.505896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.505896 (E_RNA) where: Base-Base interactions energy: -729.205 where: short stacking energy: -316.333 Base-Backbone interact. energy: -1.559 local terms energy: -377.742552 where: bonds (distance) C4'-P energy: -73.121 bonds (distance) P-C4' energy: -86.049 flat angles C4'-P-C4' energy: -71.389 flat angles P-C4'-P energy: -54.899 tors. eta vs tors. theta energy: -92.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1093.773635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.773635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.773635 (E_RNA) where: Base-Base interactions energy: -726.021 where: short stacking energy: -313.934 Base-Backbone interact. energy: -0.654 local terms energy: -367.099308 where: bonds (distance) C4'-P energy: -63.021 bonds (distance) P-C4' energy: -76.891 flat angles C4'-P-C4' energy: -82.987 flat angles P-C4'-P energy: -50.501 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: 6, replica: 2 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -994.114622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.114622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.114622 (E_RNA) where: Base-Base interactions energy: -650.341 where: short stacking energy: -288.251 Base-Backbone interact. energy: -2.390 local terms energy: -341.383008 where: bonds (distance) C4'-P energy: -71.650 bonds (distance) P-C4' energy: -74.093 flat angles C4'-P-C4' energy: -83.419 flat angles P-C4'-P energy: -48.968 tors. eta vs tors. theta energy: -63.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -751.925439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.925439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.925439 (E_RNA) where: Base-Base interactions energy: -450.187 where: short stacking energy: -222.740 Base-Backbone interact. energy: -0.854 local terms energy: -300.885284 where: bonds (distance) C4'-P energy: -61.896 bonds (distance) P-C4' energy: -77.431 flat angles C4'-P-C4' energy: -79.566 flat angles P-C4'-P energy: -42.588 tors. eta vs tors. theta energy: -39.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -614.622643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.622643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.622643 (E_RNA) where: Base-Base interactions energy: -332.770 where: short stacking energy: -172.961 Base-Backbone interact. energy: -0.084 local terms energy: -281.768258 where: bonds (distance) C4'-P energy: -61.883 bonds (distance) P-C4' energy: -67.698 flat angles C4'-P-C4' energy: -65.234 flat angles P-C4'-P energy: -44.038 tors. eta vs tors. theta energy: -42.915 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: 3 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -529.076351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.076351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.076351 (E_RNA) where: Base-Base interactions energy: -261.922 where: short stacking energy: -121.408 Base-Backbone interact. energy: -2.597 local terms energy: -264.557988 where: bonds (distance) C4'-P energy: -68.696 bonds (distance) P-C4' energy: -75.519 flat angles C4'-P-C4' energy: -60.478 flat angles P-C4'-P energy: -38.289 tors. eta vs tors. theta energy: -21.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -394.019585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.019585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.019585 (E_RNA) where: Base-Base interactions energy: -169.131 where: short stacking energy: -109.782 Base-Backbone interact. energy: 1.009 local terms energy: -225.897481 where: bonds (distance) C4'-P energy: -65.821 bonds (distance) P-C4' energy: -74.663 flat angles C4'-P-C4' energy: -60.346 flat angles P-C4'-P energy: -21.148 tors. eta vs tors. theta energy: -3.920 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: 10 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1367.736497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.736497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.736497 (E_RNA) where: Base-Base interactions energy: -910.390 where: short stacking energy: -432.130 Base-Backbone interact. energy: 1.387 local terms energy: -458.733155 where: bonds (distance) C4'-P energy: -76.093 bonds (distance) P-C4' energy: -92.217 flat angles C4'-P-C4' energy: -90.534 flat angles P-C4'-P energy: -70.284 tors. eta vs tors. theta energy: -129.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1245.909658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.909658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.909658 (E_RNA) where: Base-Base interactions energy: -857.499 where: short stacking energy: -372.619 Base-Backbone interact. energy: -1.647 local terms energy: -386.763817 where: bonds (distance) C4'-P energy: -69.219 bonds (distance) P-C4' energy: -74.161 flat angles C4'-P-C4' energy: -82.190 flat angles P-C4'-P energy: -68.055 tors. eta vs tors. theta energy: -93.139 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: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1238.208906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.208906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.208906 (E_RNA) where: Base-Base interactions energy: -843.613 where: short stacking energy: -375.523 Base-Backbone interact. energy: 2.106 local terms energy: -396.702149 where: bonds (distance) C4'-P energy: -66.165 bonds (distance) P-C4' energy: -73.998 flat angles C4'-P-C4' energy: -87.370 flat angles P-C4'-P energy: -55.460 tors. eta vs tors. theta energy: -113.709 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: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1101.005557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.005557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.005557 (E_RNA) where: Base-Base interactions energy: -728.014 where: short stacking energy: -322.555 Base-Backbone interact. energy: -1.043 local terms energy: -371.947729 where: bonds (distance) C4'-P energy: -71.546 bonds (distance) P-C4' energy: -80.239 flat angles C4'-P-C4' energy: -75.796 flat angles P-C4'-P energy: -51.248 tors. eta vs tors. theta energy: -93.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1108.946867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.946867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.946867 (E_RNA) where: Base-Base interactions energy: -731.625 where: short stacking energy: -341.119 Base-Backbone interact. energy: -1.484 local terms energy: -375.837827 where: bonds (distance) C4'-P energy: -74.814 bonds (distance) P-C4' energy: -65.348 flat angles C4'-P-C4' energy: -86.120 flat angles P-C4'-P energy: -49.531 tors. eta vs tors. theta energy: -100.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -935.843679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.843679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.843679 (E_RNA) where: Base-Base interactions energy: -599.633 where: short stacking energy: -253.334 Base-Backbone interact. energy: -2.709 local terms energy: -333.501511 where: bonds (distance) C4'-P energy: -80.383 bonds (distance) P-C4' energy: -74.753 flat angles C4'-P-C4' energy: -75.322 flat angles P-C4'-P energy: -46.536 tors. eta vs tors. theta energy: -56.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -746.045716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.045716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.045716 (E_RNA) where: Base-Base interactions energy: -449.828 where: short stacking energy: -209.068 Base-Backbone interact. energy: -2.568 local terms energy: -293.649236 where: bonds (distance) C4'-P energy: -68.963 bonds (distance) P-C4' energy: -67.177 flat angles C4'-P-C4' energy: -69.686 flat angles P-C4'-P energy: -48.022 tors. eta vs tors. theta energy: -39.802 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: 431 Temperature: 1.250000 Total energy: -632.294160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.294160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.294160 (E_RNA) where: Base-Base interactions energy: -340.853 where: short stacking energy: -168.913 Base-Backbone interact. energy: -1.969 local terms energy: -289.472156 where: bonds (distance) C4'-P energy: -78.335 bonds (distance) P-C4' energy: -72.095 flat angles C4'-P-C4' energy: -61.349 flat angles P-C4'-P energy: -50.064 tors. eta vs tors. theta energy: -27.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -506.458237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.458237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.458237 (E_RNA) where: Base-Base interactions energy: -260.558 where: short stacking energy: -144.455 Base-Backbone interact. energy: -2.392 local terms energy: -243.508066 where: bonds (distance) C4'-P energy: -69.760 bonds (distance) P-C4' energy: -76.609 flat angles C4'-P-C4' energy: -69.615 flat angles P-C4'-P energy: -24.224 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -380.698653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.698653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.698653 (E_RNA) where: Base-Base interactions energy: -170.886 where: short stacking energy: -117.819 Base-Backbone interact. energy: -0.883 local terms energy: -208.929032 where: bonds (distance) C4'-P energy: -61.057 bonds (distance) P-C4' energy: -59.866 flat angles C4'-P-C4' energy: -61.310 flat angles P-C4'-P energy: -28.763 tors. eta vs tors. theta energy: 2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1385.284325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.284325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.284325 (E_RNA) where: Base-Base interactions energy: -932.118 where: short stacking energy: -436.913 Base-Backbone interact. energy: 0.628 local terms energy: -453.793964 where: bonds (distance) C4'-P energy: -75.903 bonds (distance) P-C4' energy: -87.208 flat angles C4'-P-C4' energy: -79.700 flat angles P-C4'-P energy: -71.814 tors. eta vs tors. theta energy: -139.169 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: 7 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1253.740756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.740756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.740756 (E_RNA) where: Base-Base interactions energy: -860.121 where: short stacking energy: -365.435 Base-Backbone interact. energy: -2.935 local terms energy: -390.684534 where: bonds (distance) C4'-P energy: -72.314 bonds (distance) P-C4' energy: -73.384 flat angles C4'-P-C4' energy: -85.326 flat angles P-C4'-P energy: -55.957 tors. eta vs tors. theta energy: -103.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1218.765817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.765817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.765817 (E_RNA) where: Base-Base interactions energy: -801.323 where: short stacking energy: -350.706 Base-Backbone interact. energy: -0.568 local terms energy: -416.875220 where: bonds (distance) C4'-P energy: -76.203 bonds (distance) P-C4' energy: -80.452 flat angles C4'-P-C4' energy: -89.468 flat angles P-C4'-P energy: -64.577 tors. eta vs tors. theta energy: -106.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1130.738794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.738794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.738794 (E_RNA) where: Base-Base interactions energy: -744.566 where: short stacking energy: -339.053 Base-Backbone interact. energy: -0.955 local terms energy: -385.217195 where: bonds (distance) C4'-P energy: -70.070 bonds (distance) P-C4' energy: -82.588 flat angles C4'-P-C4' energy: -69.233 flat angles P-C4'-P energy: -59.808 tors. eta vs tors. theta energy: -103.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1095.274208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.274208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.274208 (E_RNA) where: Base-Base interactions energy: -713.103 where: short stacking energy: -325.252 Base-Backbone interact. energy: -0.144 local terms energy: -382.027578 where: bonds (distance) C4'-P energy: -62.956 bonds (distance) P-C4' energy: -76.372 flat angles C4'-P-C4' energy: -90.335 flat angles P-C4'-P energy: -50.404 tors. eta vs tors. theta energy: -101.960 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: 2 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -963.496214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.496214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.496214 (E_RNA) where: Base-Base interactions energy: -605.270 where: short stacking energy: -253.882 Base-Backbone interact. energy: -1.236 local terms energy: -356.990018 where: bonds (distance) C4'-P energy: -80.779 bonds (distance) P-C4' energy: -77.837 flat angles C4'-P-C4' energy: -80.963 flat angles P-C4'-P energy: -57.764 tors. eta vs tors. theta energy: -59.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -752.300975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.300975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.300975 (E_RNA) where: Base-Base interactions energy: -452.449 where: short stacking energy: -221.469 Base-Backbone interact. energy: 0.201 local terms energy: -300.053233 where: bonds (distance) C4'-P energy: -69.318 bonds (distance) P-C4' energy: -70.116 flat angles C4'-P-C4' energy: -66.857 flat angles P-C4'-P energy: -58.763 tors. eta vs tors. theta energy: -34.999 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: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -680.435490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.435490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.435490 (E_RNA) where: Base-Base interactions energy: -401.878 where: short stacking energy: -211.645 Base-Backbone interact. energy: 0.482 local terms energy: -279.039602 where: bonds (distance) C4'-P energy: -80.043 bonds (distance) P-C4' energy: -63.624 flat angles C4'-P-C4' energy: -70.083 flat angles P-C4'-P energy: -35.431 tors. eta vs tors. theta energy: -29.860 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: 3 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -527.079863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.079863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.079863 (E_RNA) where: Base-Base interactions energy: -292.827 where: short stacking energy: -162.136 Base-Backbone interact. energy: 1.073 local terms energy: -235.326755 where: bonds (distance) C4'-P energy: -66.679 bonds (distance) P-C4' energy: -59.420 flat angles C4'-P-C4' energy: -61.364 flat angles P-C4'-P energy: -35.213 tors. eta vs tors. theta energy: -12.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -370.299852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.299852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.299852 (E_RNA) where: Base-Base interactions energy: -185.267 where: short stacking energy: -133.775 Base-Backbone interact. energy: -0.863 local terms energy: -184.169257 where: bonds (distance) C4'-P energy: -61.364 bonds (distance) P-C4' energy: -66.470 flat angles C4'-P-C4' energy: -43.458 flat angles P-C4'-P energy: -13.154 tors. eta vs tors. theta energy: 0.277 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: 10 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1365.418764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.418764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.418764 (E_RNA) where: Base-Base interactions energy: -906.955 where: short stacking energy: -425.255 Base-Backbone interact. energy: 1.940 local terms energy: -460.403944 where: bonds (distance) C4'-P energy: -80.481 bonds (distance) P-C4' energy: -89.489 flat angles C4'-P-C4' energy: -96.769 flat angles P-C4'-P energy: -62.602 tors. eta vs tors. theta energy: -131.063 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: 1 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1280.941889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.941889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.941889 (E_RNA) where: Base-Base interactions energy: -857.639 where: short stacking energy: -396.403 Base-Backbone interact. energy: -0.989 local terms energy: -422.313727 where: bonds (distance) C4'-P energy: -80.408 bonds (distance) P-C4' energy: -75.103 flat angles C4'-P-C4' energy: -93.773 flat angles P-C4'-P energy: -59.210 tors. eta vs tors. theta energy: -113.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1217.042733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.042733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.042733 (E_RNA) where: Base-Base interactions energy: -826.399 where: short stacking energy: -360.872 Base-Backbone interact. energy: -3.330 local terms energy: -387.313949 where: bonds (distance) C4'-P energy: -72.258 bonds (distance) P-C4' energy: -70.107 flat angles C4'-P-C4' energy: -85.104 flat angles P-C4'-P energy: -56.813 tors. eta vs tors. theta energy: -103.033 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: 9 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1148.515387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.515387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.515387 (E_RNA) where: Base-Base interactions energy: -748.030 where: short stacking energy: -356.840 Base-Backbone interact. energy: -0.720 local terms energy: -399.765800 where: bonds (distance) C4'-P energy: -71.849 bonds (distance) P-C4' energy: -82.458 flat angles C4'-P-C4' energy: -83.757 flat angles P-C4'-P energy: -57.496 tors. eta vs tors. theta energy: -104.206 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: 4 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1098.999225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.999225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.999225 (E_RNA) where: Base-Base interactions energy: -755.287 where: short stacking energy: -333.517 Base-Backbone interact. energy: -0.871 local terms energy: -342.841656 where: bonds (distance) C4'-P energy: -59.855 bonds (distance) P-C4' energy: -67.550 flat angles C4'-P-C4' energy: -76.752 flat angles P-C4'-P energy: -42.196 tors. eta vs tors. theta energy: -96.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -928.186871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.186871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.186871 (E_RNA) where: Base-Base interactions energy: -597.501 where: short stacking energy: -257.862 Base-Backbone interact. energy: 1.455 local terms energy: -332.140898 where: bonds (distance) C4'-P energy: -68.476 bonds (distance) P-C4' energy: -84.426 flat angles C4'-P-C4' energy: -58.064 flat angles P-C4'-P energy: -54.291 tors. eta vs tors. theta energy: -66.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -772.758965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.758965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.758965 (E_RNA) where: Base-Base interactions energy: -462.636 where: short stacking energy: -238.077 Base-Backbone interact. energy: -1.726 local terms energy: -308.397184 where: bonds (distance) C4'-P energy: -63.002 bonds (distance) P-C4' energy: -71.001 flat angles C4'-P-C4' energy: -69.409 flat angles P-C4'-P energy: -52.150 tors. eta vs tors. theta energy: -52.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -697.442280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.442280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.442280 (E_RNA) where: Base-Base interactions energy: -422.303 where: short stacking energy: -212.515 Base-Backbone interact. energy: 0.552 local terms energy: -275.691802 where: bonds (distance) C4'-P energy: -55.887 bonds (distance) P-C4' energy: -65.968 flat angles C4'-P-C4' energy: -76.642 flat angles P-C4'-P energy: -42.333 tors. eta vs tors. theta energy: -34.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -532.285931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.285931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.285931 (E_RNA) where: Base-Base interactions energy: -293.555 where: short stacking energy: -148.484 Base-Backbone interact. energy: -0.210 local terms energy: -238.520667 where: bonds (distance) C4'-P energy: -63.601 bonds (distance) P-C4' energy: -63.321 flat angles C4'-P-C4' energy: -67.209 flat angles P-C4'-P energy: -33.064 tors. eta vs tors. theta energy: -11.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -382.239874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.239874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.239874 (E_RNA) where: Base-Base interactions energy: -175.773 where: short stacking energy: -108.508 Base-Backbone interact. energy: -0.315 local terms energy: -206.152320 where: bonds (distance) C4'-P energy: -59.211 bonds (distance) P-C4' energy: -59.870 flat angles C4'-P-C4' energy: -64.585 flat angles P-C4'-P energy: -22.630 tors. eta vs tors. theta energy: 0.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1370.611355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.611355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.611355 (E_RNA) where: Base-Base interactions energy: -921.427 where: short stacking energy: -449.322 Base-Backbone interact. energy: -0.252 local terms energy: -448.931990 where: bonds (distance) C4'-P energy: -78.432 bonds (distance) P-C4' energy: -82.211 flat angles C4'-P-C4' energy: -95.889 flat angles P-C4'-P energy: -61.943 tors. eta vs tors. theta energy: -130.457 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: 1 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1275.457574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.457574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.457574 (E_RNA) where: Base-Base interactions energy: -851.262 where: short stacking energy: -374.202 Base-Backbone interact. energy: -2.028 local terms energy: -422.167277 where: bonds (distance) C4'-P energy: -79.398 bonds (distance) P-C4' energy: -87.043 flat angles C4'-P-C4' energy: -85.975 flat angles P-C4'-P energy: -61.895 tors. eta vs tors. theta energy: -107.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1203.985502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.985502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.985502 (E_RNA) where: Base-Base interactions energy: -811.541 where: short stacking energy: -350.663 Base-Backbone interact. energy: -1.422 local terms energy: -391.022950 where: bonds (distance) C4'-P energy: -82.148 bonds (distance) P-C4' energy: -73.341 flat angles C4'-P-C4' energy: -86.034 flat angles P-C4'-P energy: -53.751 tors. eta vs tors. theta energy: -95.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1131.067034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.067034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.067034 (E_RNA) where: Base-Base interactions energy: -731.840 where: short stacking energy: -340.200 Base-Backbone interact. energy: -1.615 local terms energy: -397.612143 where: bonds (distance) C4'-P energy: -69.746 bonds (distance) P-C4' energy: -86.111 flat angles C4'-P-C4' energy: -87.207 flat angles P-C4'-P energy: -53.491 tors. eta vs tors. theta energy: -101.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1108.541065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.541065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.541065 (E_RNA) where: Base-Base interactions energy: -742.845 where: short stacking energy: -321.467 Base-Backbone interact. energy: -1.336 local terms energy: -364.360507 where: bonds (distance) C4'-P energy: -65.710 bonds (distance) P-C4' energy: -67.010 flat angles C4'-P-C4' energy: -83.255 flat angles P-C4'-P energy: -53.627 tors. eta vs tors. theta energy: -94.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -940.770206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.770206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.770206 (E_RNA) where: Base-Base interactions energy: -637.183 where: short stacking energy: -247.659 Base-Backbone interact. energy: 1.770 local terms energy: -305.357682 where: bonds (distance) C4'-P energy: -71.319 bonds (distance) P-C4' energy: -68.372 flat angles C4'-P-C4' energy: -72.334 flat angles P-C4'-P energy: -38.899 tors. eta vs tors. theta energy: -54.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -747.364426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.364426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.364426 (E_RNA) where: Base-Base interactions energy: -461.698 where: short stacking energy: -230.264 Base-Backbone interact. energy: 0.504 local terms energy: -286.170738 where: bonds (distance) C4'-P energy: -65.944 bonds (distance) P-C4' energy: -64.310 flat angles C4'-P-C4' energy: -68.358 flat angles P-C4'-P energy: -48.611 tors. eta vs tors. theta energy: -38.947 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: 6 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -675.087601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.087601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.087601 (E_RNA) where: Base-Base interactions energy: -393.884 where: short stacking energy: -206.062 Base-Backbone interact. energy: -3.785 local terms energy: -277.418873 where: bonds (distance) C4'-P energy: -61.903 bonds (distance) P-C4' energy: -71.453 flat angles C4'-P-C4' energy: -65.997 flat angles P-C4'-P energy: -41.996 tors. eta vs tors. theta energy: -36.070 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: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -528.264068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.264068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.264068 (E_RNA) where: Base-Base interactions energy: -254.724 where: short stacking energy: -153.944 Base-Backbone interact. energy: 0.581 local terms energy: -274.121843 where: bonds (distance) C4'-P energy: -67.313 bonds (distance) P-C4' energy: -75.338 flat angles C4'-P-C4' energy: -70.531 flat angles P-C4'-P energy: -36.068 tors. eta vs tors. theta energy: -24.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -367.753700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.753700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.753700 (E_RNA) where: Base-Base interactions energy: -158.196 where: short stacking energy: -107.050 Base-Backbone interact. energy: -0.781 local terms energy: -208.776783 where: bonds (distance) C4'-P energy: -54.454 bonds (distance) P-C4' energy: -60.845 flat angles C4'-P-C4' energy: -57.068 flat angles P-C4'-P energy: -32.209 tors. eta vs tors. theta energy: -4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1366.131416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.131416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.131416 (E_RNA) where: Base-Base interactions energy: -919.301 where: short stacking energy: -432.040 Base-Backbone interact. energy: -2.168 local terms energy: -444.662944 where: bonds (distance) C4'-P energy: -76.514 bonds (distance) P-C4' energy: -83.666 flat angles C4'-P-C4' energy: -90.424 flat angles P-C4'-P energy: -64.405 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: 2, replica: 1 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1213.724055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.724055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.724055 (E_RNA) where: Base-Base interactions energy: -798.363 where: short stacking energy: -367.438 Base-Backbone interact. energy: -1.282 local terms energy: -414.079826 where: bonds (distance) C4'-P energy: -83.049 bonds (distance) P-C4' energy: -76.542 flat angles C4'-P-C4' energy: -91.600 flat angles P-C4'-P energy: -58.656 tors. eta vs tors. theta energy: -104.232 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: 7 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1208.976421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.976421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.976421 (E_RNA) where: Base-Base interactions energy: -854.537 where: short stacking energy: -349.726 Base-Backbone interact. energy: -1.547 local terms energy: -352.892113 where: bonds (distance) C4'-P energy: -66.413 bonds (distance) P-C4' energy: -68.764 flat angles C4'-P-C4' energy: -76.992 flat angles P-C4'-P energy: -52.601 tors. eta vs tors. theta energy: -88.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1107.979665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.979665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.979665 (E_RNA) where: Base-Base interactions energy: -752.868 where: short stacking energy: -342.054 Base-Backbone interact. energy: -2.014 local terms energy: -353.097938 where: bonds (distance) C4'-P energy: -82.730 bonds (distance) P-C4' energy: -70.639 flat angles C4'-P-C4' energy: -76.574 flat angles P-C4'-P energy: -38.346 tors. eta vs tors. theta energy: -84.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1106.819728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.819728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.819728 (E_RNA) where: Base-Base interactions energy: -732.019 where: short stacking energy: -342.656 Base-Backbone interact. energy: -0.474 local terms energy: -374.326068 where: bonds (distance) C4'-P energy: -66.177 bonds (distance) P-C4' energy: -66.545 flat angles C4'-P-C4' energy: -77.782 flat angles P-C4'-P energy: -60.397 tors. eta vs tors. theta energy: -103.425 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: 2 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -982.743978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.743978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.743978 (E_RNA) where: Base-Base interactions energy: -638.673 where: short stacking energy: -264.067 Base-Backbone interact. energy: 1.482 local terms energy: -345.552779 where: bonds (distance) C4'-P energy: -78.697 bonds (distance) P-C4' energy: -69.677 flat angles C4'-P-C4' energy: -74.221 flat angles P-C4'-P energy: -55.211 tors. eta vs tors. theta energy: -67.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -735.664270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.664270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.664270 (E_RNA) where: Base-Base interactions energy: -425.551 where: short stacking energy: -218.216 Base-Backbone interact. energy: 0.360 local terms energy: -310.473222 where: bonds (distance) C4'-P energy: -65.932 bonds (distance) P-C4' energy: -77.877 flat angles C4'-P-C4' energy: -62.877 flat angles P-C4'-P energy: -55.402 tors. eta vs tors. theta energy: -48.386 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: 6 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -658.701920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.701920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.701920 (E_RNA) where: Base-Base interactions energy: -374.956 where: short stacking energy: -188.682 Base-Backbone interact. energy: 1.073 local terms energy: -284.818095 where: bonds (distance) C4'-P energy: -72.583 bonds (distance) P-C4' energy: -75.652 flat angles C4'-P-C4' energy: -67.392 flat angles P-C4'-P energy: -38.295 tors. eta vs tors. theta energy: -30.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -527.529798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.529798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.529798 (E_RNA) where: Base-Base interactions energy: -268.848 where: short stacking energy: -155.387 Base-Backbone interact. energy: 0.455 local terms energy: -259.136273 where: bonds (distance) C4'-P energy: -59.459 bonds (distance) P-C4' energy: -84.960 flat angles C4'-P-C4' energy: -63.335 flat angles P-C4'-P energy: -37.911 tors. eta vs tors. theta energy: -13.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -367.826096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.826096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.826096 (E_RNA) where: Base-Base interactions energy: -145.667 where: short stacking energy: -111.645 Base-Backbone interact. energy: 0.420 local terms energy: -222.578896 where: bonds (distance) C4'-P energy: -58.308 bonds (distance) P-C4' energy: -71.979 flat angles C4'-P-C4' energy: -59.916 flat angles P-C4'-P energy: -39.267 tors. eta vs tors. theta energy: 6.891 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: 10 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1378.888777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.888777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.888777 (E_RNA) where: Base-Base interactions energy: -936.340 where: short stacking energy: -436.881 Base-Backbone interact. energy: -0.236 local terms energy: -442.312787 where: bonds (distance) C4'-P energy: -69.963 bonds (distance) P-C4' energy: -81.451 flat angles C4'-P-C4' energy: -96.131 flat angles P-C4'-P energy: -64.335 tors. eta vs tors. theta energy: -130.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1236.555876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.555876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.555876 (E_RNA) where: Base-Base interactions energy: -863.466 where: short stacking energy: -384.301 Base-Backbone interact. energy: 6.088 local terms energy: -379.177895 where: bonds (distance) C4'-P energy: -62.436 bonds (distance) P-C4' energy: -74.861 flat angles C4'-P-C4' energy: -84.751 flat angles P-C4'-P energy: -50.206 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: 3, replica: 7 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1204.297895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.297895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.297895 (E_RNA) where: Base-Base interactions energy: -823.118 where: short stacking energy: -337.830 Base-Backbone interact. energy: -1.809 local terms energy: -379.370897 where: bonds (distance) C4'-P energy: -78.839 bonds (distance) P-C4' energy: -72.143 flat angles C4'-P-C4' energy: -79.300 flat angles P-C4'-P energy: -53.701 tors. eta vs tors. theta energy: -95.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1144.829742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.829742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.829742 (E_RNA) where: Base-Base interactions energy: -777.198 where: short stacking energy: -340.522 Base-Backbone interact. energy: -1.468 local terms energy: -366.163354 where: bonds (distance) C4'-P energy: -77.426 bonds (distance) P-C4' energy: -65.640 flat angles C4'-P-C4' energy: -76.772 flat angles P-C4'-P energy: -52.336 tors. eta vs tors. theta energy: -93.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1097.505970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.505970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.505970 (E_RNA) where: Base-Base interactions energy: -736.226 where: short stacking energy: -345.540 Base-Backbone interact. energy: -0.631 local terms energy: -360.649348 where: bonds (distance) C4'-P energy: -76.939 bonds (distance) P-C4' energy: -68.350 flat angles C4'-P-C4' energy: -80.553 flat angles P-C4'-P energy: -45.471 tors. eta vs tors. theta energy: -89.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -961.397342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.397342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.397342 (E_RNA) where: Base-Base interactions energy: -641.539 where: short stacking energy: -264.192 Base-Backbone interact. energy: -1.228 local terms energy: -318.630462 where: bonds (distance) C4'-P energy: -65.272 bonds (distance) P-C4' energy: -74.400 flat angles C4'-P-C4' energy: -60.995 flat angles P-C4'-P energy: -48.207 tors. eta vs tors. theta energy: -69.757 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: 5 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -703.779481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.779481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.779481 (E_RNA) where: Base-Base interactions energy: -410.932 where: short stacking energy: -205.525 Base-Backbone interact. energy: 1.333 local terms energy: -294.181007 where: bonds (distance) C4'-P energy: -79.031 bonds (distance) P-C4' energy: -67.098 flat angles C4'-P-C4' energy: -74.756 flat angles P-C4'-P energy: -39.886 tors. eta vs tors. theta energy: -33.411 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: 6 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -710.425929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.425929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.425929 (E_RNA) where: Base-Base interactions energy: -404.296 where: short stacking energy: -220.181 Base-Backbone interact. energy: -2.379 local terms energy: -303.750782 where: bonds (distance) C4'-P energy: -71.506 bonds (distance) P-C4' energy: -69.693 flat angles C4'-P-C4' energy: -63.518 flat angles P-C4'-P energy: -51.942 tors. eta vs tors. theta energy: -47.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -558.139918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.139918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.139918 (E_RNA) where: Base-Base interactions energy: -300.895 where: short stacking energy: -163.697 Base-Backbone interact. energy: -0.863 local terms energy: -256.382283 where: bonds (distance) C4'-P energy: -72.859 bonds (distance) P-C4' energy: -73.549 flat angles C4'-P-C4' energy: -59.419 flat angles P-C4'-P energy: -36.429 tors. eta vs tors. theta energy: -14.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -328.936163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.936163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.936163 (E_RNA) where: Base-Base interactions energy: -120.295 where: short stacking energy: -99.379 Base-Backbone interact. energy: -1.735 local terms energy: -206.906255 where: bonds (distance) C4'-P energy: -66.398 bonds (distance) P-C4' energy: -51.170 flat angles C4'-P-C4' energy: -71.993 flat angles P-C4'-P energy: -26.103 tors. eta vs tors. theta energy: 8.758 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: 1, replica: 10 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1360.151564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.151564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.151564 (E_RNA) where: Base-Base interactions energy: -921.264 where: short stacking energy: -423.929 Base-Backbone interact. energy: -2.241 local terms energy: -436.646948 where: bonds (distance) C4'-P energy: -78.944 bonds (distance) P-C4' energy: -70.691 flat angles C4'-P-C4' energy: -95.511 flat angles P-C4'-P energy: -65.694 tors. eta vs tors. theta energy: -125.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1243.972502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.972502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.972502 (E_RNA) where: Base-Base interactions energy: -839.298 where: short stacking energy: -354.503 Base-Backbone interact. energy: -0.020 local terms energy: -404.654914 where: bonds (distance) C4'-P energy: -85.132 bonds (distance) P-C4' energy: -81.061 flat angles C4'-P-C4' energy: -83.606 flat angles P-C4'-P energy: -57.558 tors. eta vs tors. theta energy: -97.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1209.179950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.179950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.179950 (E_RNA) where: Base-Base interactions energy: -813.868 where: short stacking energy: -337.533 Base-Backbone interact. energy: -0.151 local terms energy: -395.160373 where: bonds (distance) C4'-P energy: -83.027 bonds (distance) P-C4' energy: -82.193 flat angles C4'-P-C4' energy: -79.998 flat angles P-C4'-P energy: -56.106 tors. eta vs tors. theta energy: -93.837 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: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1153.053787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.053787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.053787 (E_RNA) where: Base-Base interactions energy: -774.178 where: short stacking energy: -364.112 Base-Backbone interact. energy: 0.794 local terms energy: -379.670019 where: bonds (distance) C4'-P energy: -68.538 bonds (distance) P-C4' energy: -76.335 flat angles C4'-P-C4' energy: -85.147 flat angles P-C4'-P energy: -45.495 tors. eta vs tors. theta energy: -104.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1117.672192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.672192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.672192 (E_RNA) where: Base-Base interactions energy: -756.966 where: short stacking energy: -353.253 Base-Backbone interact. energy: -1.135 local terms energy: -359.571382 where: bonds (distance) C4'-P energy: -73.306 bonds (distance) P-C4' energy: -66.054 flat angles C4'-P-C4' energy: -56.684 flat angles P-C4'-P energy: -61.657 tors. eta vs tors. theta energy: -101.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -953.208207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.208207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.208207 (E_RNA) where: Base-Base interactions energy: -611.616 where: short stacking energy: -273.261 Base-Backbone interact. energy: -1.405 local terms energy: -340.186786 where: bonds (distance) C4'-P energy: -76.206 bonds (distance) P-C4' energy: -68.733 flat angles C4'-P-C4' energy: -80.019 flat angles P-C4'-P energy: -52.699 tors. eta vs tors. theta energy: -62.530 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: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -746.987337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.987337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.987337 (E_RNA) where: Base-Base interactions energy: -449.898 where: short stacking energy: -222.352 Base-Backbone interact. energy: -0.589 local terms energy: -296.500131 where: bonds (distance) C4'-P energy: -66.265 bonds (distance) P-C4' energy: -66.384 flat angles C4'-P-C4' energy: -71.627 flat angles P-C4'-P energy: -43.530 tors. eta vs tors. theta energy: -48.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -683.365326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.365326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.365326 (E_RNA) where: Base-Base interactions energy: -417.224 where: short stacking energy: -198.825 Base-Backbone interact. energy: -0.716 local terms energy: -265.425417 where: bonds (distance) C4'-P energy: -63.146 bonds (distance) P-C4' energy: -61.089 flat angles C4'-P-C4' energy: -58.080 flat angles P-C4'-P energy: -42.626 tors. eta vs tors. theta energy: -40.484 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: 437 Temperature: 1.300000 Total energy: -582.042946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.042946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.042946 (E_RNA) where: Base-Base interactions energy: -322.169 where: short stacking energy: -169.491 Base-Backbone interact. energy: 2.209 local terms energy: -262.083419 where: bonds (distance) C4'-P energy: -63.371 bonds (distance) P-C4' energy: -73.461 flat angles C4'-P-C4' energy: -51.131 flat angles P-C4'-P energy: -44.809 tors. eta vs tors. theta energy: -29.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -338.564736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.564736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.564736 (E_RNA) where: Base-Base interactions energy: -115.191 where: short stacking energy: -80.896 Base-Backbone interact. energy: -0.204 local terms energy: -223.169160 where: bonds (distance) C4'-P energy: -61.044 bonds (distance) P-C4' energy: -62.548 flat angles C4'-P-C4' energy: -78.085 flat angles P-C4'-P energy: -32.151 tors. eta vs tors. theta energy: 10.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1380.916404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.916404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.916404 (E_RNA) where: Base-Base interactions energy: -928.406 where: short stacking energy: -438.731 Base-Backbone interact. energy: -1.471 local terms energy: -451.039318 where: bonds (distance) C4'-P energy: -80.120 bonds (distance) P-C4' energy: -81.276 flat angles C4'-P-C4' energy: -87.128 flat angles P-C4'-P energy: -71.046 tors. eta vs tors. theta energy: -131.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1252.515365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.515365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.515365 (E_RNA) where: Base-Base interactions energy: -844.420 where: short stacking energy: -366.288 Base-Backbone interact. energy: -1.522 local terms energy: -406.574117 where: bonds (distance) C4'-P energy: -79.989 bonds (distance) P-C4' energy: -74.158 flat angles C4'-P-C4' energy: -89.622 flat angles P-C4'-P energy: -57.221 tors. eta vs tors. theta energy: -105.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1209.546767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.546767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.546767 (E_RNA) where: Base-Base interactions energy: -798.066 where: short stacking energy: -373.924 Base-Backbone interact. energy: -1.375 local terms energy: -410.105602 where: bonds (distance) C4'-P energy: -85.289 bonds (distance) P-C4' energy: -76.351 flat angles C4'-P-C4' energy: -86.489 flat angles P-C4'-P energy: -60.140 tors. eta vs tors. theta energy: -101.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1173.578925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.578925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.578925 (E_RNA) where: Base-Base interactions energy: -811.621 where: short stacking energy: -340.805 Base-Backbone interact. energy: -2.141 local terms energy: -359.816581 where: bonds (distance) C4'-P energy: -81.659 bonds (distance) P-C4' energy: -65.541 flat angles C4'-P-C4' energy: -68.770 flat angles P-C4'-P energy: -57.901 tors. eta vs tors. theta energy: -85.945 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: 438 Temperature: 1.100000 Total energy: -1119.056031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.056031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.056031 (E_RNA) where: Base-Base interactions energy: -741.024 where: short stacking energy: -327.670 Base-Backbone interact. energy: -0.827 local terms energy: -377.205254 where: bonds (distance) C4'-P energy: -71.899 bonds (distance) P-C4' energy: -71.437 flat angles C4'-P-C4' energy: -84.258 flat angles P-C4'-P energy: -57.635 tors. eta vs tors. theta energy: -91.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -918.945838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.945838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.945838 (E_RNA) where: Base-Base interactions energy: -580.443 where: short stacking energy: -250.984 Base-Backbone interact. energy: -2.819 local terms energy: -335.683197 where: bonds (distance) C4'-P energy: -74.715 bonds (distance) P-C4' energy: -84.947 flat angles C4'-P-C4' energy: -74.415 flat angles P-C4'-P energy: -41.038 tors. eta vs tors. theta energy: -60.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -793.874255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.874255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.874255 (E_RNA) where: Base-Base interactions energy: -504.879 where: short stacking energy: -263.738 Base-Backbone interact. energy: -0.430 local terms energy: -288.564576 where: bonds (distance) C4'-P energy: -55.809 bonds (distance) P-C4' energy: -65.755 flat angles C4'-P-C4' energy: -70.280 flat angles P-C4'-P energy: -28.580 tors. eta vs tors. theta energy: -68.140 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: 6 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -654.257025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.257025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.257025 (E_RNA) where: Base-Base interactions energy: -396.045 where: short stacking energy: -204.972 Base-Backbone interact. energy: -0.139 local terms energy: -258.073288 where: bonds (distance) C4'-P energy: -55.938 bonds (distance) P-C4' energy: -72.739 flat angles C4'-P-C4' energy: -60.725 flat angles P-C4'-P energy: -37.260 tors. eta vs tors. theta energy: -31.411 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: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -546.866217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.866217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.866217 (E_RNA) where: Base-Base interactions energy: -307.470 where: short stacking energy: -161.824 Base-Backbone interact. energy: 5.228 local terms energy: -244.623761 where: bonds (distance) C4'-P energy: -67.689 bonds (distance) P-C4' energy: -66.426 flat angles C4'-P-C4' energy: -64.615 flat angles P-C4'-P energy: -24.389 tors. eta vs tors. theta energy: -21.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -348.477689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.477689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.477689 (E_RNA) where: Base-Base interactions energy: -124.064 where: short stacking energy: -115.963 Base-Backbone interact. energy: -0.598 local terms energy: -223.816108 where: bonds (distance) C4'-P energy: -55.917 bonds (distance) P-C4' energy: -63.730 flat angles C4'-P-C4' energy: -54.232 flat angles P-C4'-P energy: -36.936 tors. eta vs tors. theta energy: -13.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1380.973660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.973660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.973660 (E_RNA) where: Base-Base interactions energy: -933.316 where: short stacking energy: -419.226 Base-Backbone interact. energy: -2.375 local terms energy: -445.281973 where: bonds (distance) C4'-P energy: -79.438 bonds (distance) P-C4' energy: -79.351 flat angles C4'-P-C4' energy: -89.051 flat angles P-C4'-P energy: -70.390 tors. eta vs tors. theta energy: -127.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1279.388609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.388609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.388609 (E_RNA) where: Base-Base interactions energy: -851.988 where: short stacking energy: -371.276 Base-Backbone interact. energy: -1.155 local terms energy: -426.245376 where: bonds (distance) C4'-P energy: -76.622 bonds (distance) P-C4' energy: -86.060 flat angles C4'-P-C4' energy: -95.183 flat angles P-C4'-P energy: -56.840 tors. eta vs tors. theta energy: -111.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1191.546274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.546274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.546274 (E_RNA) where: Base-Base interactions energy: -794.571 where: short stacking energy: -354.512 Base-Backbone interact. energy: -1.298 local terms energy: -395.676570 where: bonds (distance) C4'-P energy: -76.117 bonds (distance) P-C4' energy: -73.664 flat angles C4'-P-C4' energy: -84.774 flat angles P-C4'-P energy: -54.777 tors. eta vs tors. theta energy: -106.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1139.623869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.623869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.623869 (E_RNA) where: Base-Base interactions energy: -753.219 where: short stacking energy: -311.735 Base-Backbone interact. energy: -2.945 local terms energy: -383.460243 where: bonds (distance) C4'-P energy: -81.665 bonds (distance) P-C4' energy: -87.019 flat angles C4'-P-C4' energy: -78.330 flat angles P-C4'-P energy: -54.384 tors. eta vs tors. theta energy: -82.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1117.753570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.753570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.753570 (E_RNA) where: Base-Base interactions energy: -735.374 where: short stacking energy: -330.293 Base-Backbone interact. energy: -0.592 local terms energy: -381.787959 where: bonds (distance) C4'-P energy: -71.282 bonds (distance) P-C4' energy: -77.909 flat angles C4'-P-C4' energy: -83.547 flat angles P-C4'-P energy: -47.527 tors. eta vs tors. theta energy: -101.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -916.337208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.337208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.337208 (E_RNA) where: Base-Base interactions energy: -587.697 where: short stacking energy: -261.382 Base-Backbone interact. energy: -0.915 local terms energy: -327.725729 where: bonds (distance) C4'-P energy: -68.235 bonds (distance) P-C4' energy: -64.520 flat angles C4'-P-C4' energy: -82.917 flat angles P-C4'-P energy: -55.915 tors. eta vs tors. theta energy: -56.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -825.802176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.802176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.802176 (E_RNA) where: Base-Base interactions energy: -513.239 where: short stacking energy: -245.880 Base-Backbone interact. energy: -2.488 local terms energy: -310.075434 where: bonds (distance) C4'-P energy: -66.273 bonds (distance) P-C4' energy: -73.188 flat angles C4'-P-C4' energy: -77.259 flat angles P-C4'-P energy: -37.806 tors. eta vs tors. theta energy: -55.549 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: 6 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -683.400337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.400337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.400337 (E_RNA) where: Base-Base interactions energy: -401.902 where: short stacking energy: -205.713 Base-Backbone interact. energy: 1.302 local terms energy: -282.799862 where: bonds (distance) C4'-P energy: -71.837 bonds (distance) P-C4' energy: -77.148 flat angles C4'-P-C4' energy: -62.049 flat angles P-C4'-P energy: -32.110 tors. eta vs tors. theta energy: -39.656 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: 3 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -514.063946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.063946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.063946 (E_RNA) where: Base-Base interactions energy: -288.801 where: short stacking energy: -156.681 Base-Backbone interact. energy: -1.747 local terms energy: -223.516738 where: bonds (distance) C4'-P energy: -60.573 bonds (distance) P-C4' energy: -64.853 flat angles C4'-P-C4' energy: -59.627 flat angles P-C4'-P energy: -37.093 tors. eta vs tors. theta energy: -1.371 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: 439 Temperature: 1.350000 Total energy: -325.430176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.430176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.430176 (E_RNA) where: Base-Base interactions energy: -94.326 where: short stacking energy: -89.041 Base-Backbone interact. energy: -0.470 local terms energy: -230.634107 where: bonds (distance) C4'-P energy: -64.963 bonds (distance) P-C4' energy: -79.829 flat angles C4'-P-C4' energy: -68.709 flat angles P-C4'-P energy: -23.491 tors. eta vs tors. theta energy: 6.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1394.993930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.993930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.993930 (E_RNA) where: Base-Base interactions energy: -952.730 where: short stacking energy: -432.164 Base-Backbone interact. energy: -0.195 local terms energy: -442.069657 where: bonds (distance) C4'-P energy: -84.959 bonds (distance) P-C4' energy: -84.108 flat angles C4'-P-C4' energy: -85.814 flat angles P-C4'-P energy: -59.139 tors. eta vs tors. theta energy: -128.049 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: 1 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1274.694099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.694099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.694099 (E_RNA) where: Base-Base interactions energy: -865.422 where: short stacking energy: -374.009 Base-Backbone interact. energy: -1.099 local terms energy: -408.173964 where: bonds (distance) C4'-P energy: -76.299 bonds (distance) P-C4' energy: -74.259 flat angles C4'-P-C4' energy: -89.921 flat angles P-C4'-P energy: -56.551 tors. eta vs tors. theta energy: -111.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1186.167478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.167478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.167478 (E_RNA) where: Base-Base interactions energy: -829.259 where: short stacking energy: -357.046 Base-Backbone interact. energy: 0.063 local terms energy: -356.971429 where: bonds (distance) C4'-P energy: -65.969 bonds (distance) P-C4' energy: -81.154 flat angles C4'-P-C4' energy: -74.033 flat angles P-C4'-P energy: -46.836 tors. eta vs tors. theta energy: -88.980 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: 9 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1137.440709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.440709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.440709 (E_RNA) where: Base-Base interactions energy: -753.053 where: short stacking energy: -338.985 Base-Backbone interact. energy: -1.358 local terms energy: -383.029896 where: bonds (distance) C4'-P energy: -62.625 bonds (distance) P-C4' energy: -66.961 flat angles C4'-P-C4' energy: -87.509 flat angles P-C4'-P energy: -59.324 tors. eta vs tors. theta energy: -106.611 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: 4 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1090.865661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.865661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.865661 (E_RNA) where: Base-Base interactions energy: -729.525 where: short stacking energy: -339.097 Base-Backbone interact. energy: -0.908 local terms energy: -360.432754 where: bonds (distance) C4'-P energy: -65.935 bonds (distance) P-C4' energy: -57.456 flat angles C4'-P-C4' energy: -86.014 flat angles P-C4'-P energy: -57.744 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: 6, replica: 2 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -906.065262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.065262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.065262 (E_RNA) where: Base-Base interactions energy: -574.425 where: short stacking energy: -247.897 Base-Backbone interact. energy: 0.237 local terms energy: -331.876903 where: bonds (distance) C4'-P energy: -69.436 bonds (distance) P-C4' energy: -70.681 flat angles C4'-P-C4' energy: -79.537 flat angles P-C4'-P energy: -48.966 tors. eta vs tors. theta energy: -63.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -806.068151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.068151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.068151 (E_RNA) where: Base-Base interactions energy: -508.321 where: short stacking energy: -240.032 Base-Backbone interact. energy: 0.708 local terms energy: -298.455170 where: bonds (distance) C4'-P energy: -68.925 bonds (distance) P-C4' energy: -63.088 flat angles C4'-P-C4' energy: -77.692 flat angles P-C4'-P energy: -40.499 tors. eta vs tors. theta energy: -48.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -708.406904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.406904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.406904 (E_RNA) where: Base-Base interactions energy: -412.635 where: short stacking energy: -203.480 Base-Backbone interact. energy: 0.809 local terms energy: -296.580704 where: bonds (distance) C4'-P energy: -68.668 bonds (distance) P-C4' energy: -74.264 flat angles C4'-P-C4' energy: -62.761 flat angles P-C4'-P energy: -49.815 tors. eta vs tors. theta energy: -41.073 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: 3 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -509.242045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.242045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.242045 (E_RNA) where: Base-Base interactions energy: -271.523 where: short stacking energy: -138.092 Base-Backbone interact. energy: 1.085 local terms energy: -238.803794 where: bonds (distance) C4'-P energy: -62.553 bonds (distance) P-C4' energy: -75.707 flat angles C4'-P-C4' energy: -65.233 flat angles P-C4'-P energy: -34.062 tors. eta vs tors. theta energy: -1.248 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: 8 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -324.030796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.030796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.030796 (E_RNA) where: Base-Base interactions energy: -127.405 where: short stacking energy: -96.540 Base-Backbone interact. energy: -1.620 local terms energy: -195.006415 where: bonds (distance) C4'-P energy: -62.225 bonds (distance) P-C4' energy: -69.063 flat angles C4'-P-C4' energy: -50.519 flat angles P-C4'-P energy: -34.676 tors. eta vs tors. theta energy: 21.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1378.905831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.905831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.905831 (E_RNA) where: Base-Base interactions energy: -925.035 where: short stacking energy: -433.116 Base-Backbone interact. energy: -0.495 local terms energy: -453.375067 where: bonds (distance) C4'-P energy: -78.269 bonds (distance) P-C4' energy: -81.575 flat angles C4'-P-C4' energy: -98.867 flat angles P-C4'-P energy: -61.246 tors. eta vs tors. theta energy: -133.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1290.481581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.481581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.481581 (E_RNA) where: Base-Base interactions energy: -876.727 where: short stacking energy: -391.425 Base-Backbone interact. energy: -0.509 local terms energy: -413.246053 where: bonds (distance) C4'-P energy: -69.184 bonds (distance) P-C4' energy: -83.264 flat angles C4'-P-C4' energy: -89.716 flat angles P-C4'-P energy: -62.263 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: 3, replica: 7 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1169.602230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.602230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.602230 (E_RNA) where: Base-Base interactions energy: -789.015 where: short stacking energy: -357.268 Base-Backbone interact. energy: -0.704 local terms energy: -379.883544 where: bonds (distance) C4'-P energy: -70.687 bonds (distance) P-C4' energy: -75.280 flat angles C4'-P-C4' energy: -89.670 flat angles P-C4'-P energy: -50.775 tors. eta vs tors. theta energy: -93.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1173.563005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.563005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.563005 (E_RNA) where: Base-Base interactions energy: -776.636 where: short stacking energy: -372.216 Base-Backbone interact. energy: -1.543 local terms energy: -395.384059 where: bonds (distance) C4'-P energy: -76.845 bonds (distance) P-C4' energy: -73.671 flat angles C4'-P-C4' energy: -85.996 flat angles P-C4'-P energy: -56.979 tors. eta vs tors. theta energy: -101.892 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: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1086.804865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.804865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.804865 (E_RNA) where: Base-Base interactions energy: -732.007 where: short stacking energy: -327.087 Base-Backbone interact. energy: -0.603 local terms energy: -354.194979 where: bonds (distance) C4'-P energy: -61.972 bonds (distance) P-C4' energy: -69.367 flat angles C4'-P-C4' energy: -72.235 flat angles P-C4'-P energy: -55.927 tors. eta vs tors. theta energy: -94.695 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: 2 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -951.837019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.837019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.837019 (E_RNA) where: Base-Base interactions energy: -623.583 where: short stacking energy: -277.267 Base-Backbone interact. energy: -1.504 local terms energy: -326.750452 where: bonds (distance) C4'-P energy: -69.886 bonds (distance) P-C4' energy: -62.987 flat angles C4'-P-C4' energy: -81.715 flat angles P-C4'-P energy: -47.779 tors. eta vs tors. theta energy: -64.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -776.277486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.277486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.277486 (E_RNA) where: Base-Base interactions energy: -465.436 where: short stacking energy: -234.041 Base-Backbone interact. energy: -1.763 local terms energy: -309.078233 where: bonds (distance) C4'-P energy: -69.645 bonds (distance) P-C4' energy: -75.534 flat angles C4'-P-C4' energy: -71.546 flat angles P-C4'-P energy: -46.490 tors. eta vs tors. theta energy: -45.863 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: 6 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -730.640564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.640564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.640564 (E_RNA) where: Base-Base interactions energy: -436.760 where: short stacking energy: -243.427 Base-Backbone interact. energy: -0.192 local terms energy: -293.688145 where: bonds (distance) C4'-P energy: -54.571 bonds (distance) P-C4' energy: -66.992 flat angles C4'-P-C4' energy: -77.372 flat angles P-C4'-P energy: -50.889 tors. eta vs tors. theta energy: -43.865 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: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -510.332340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.332340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.332340 (E_RNA) where: Base-Base interactions energy: -272.448 where: short stacking energy: -148.620 Base-Backbone interact. energy: 2.100 local terms energy: -239.984135 where: bonds (distance) C4'-P energy: -62.998 bonds (distance) P-C4' energy: -68.858 flat angles C4'-P-C4' energy: -60.373 flat angles P-C4'-P energy: -31.735 tors. eta vs tors. theta energy: -16.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -329.720641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.720641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.720641 (E_RNA) where: Base-Base interactions energy: -130.421 where: short stacking energy: -80.711 Base-Backbone interact. energy: 4.607 local terms energy: -203.906338 where: bonds (distance) C4'-P energy: -66.840 bonds (distance) P-C4' energy: -58.437 flat angles C4'-P-C4' energy: -55.635 flat angles P-C4'-P energy: -43.514 tors. eta vs tors. theta energy: 20.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1356.482540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.482540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.482540 (E_RNA) where: Base-Base interactions energy: -919.548 where: short stacking energy: -426.889 Base-Backbone interact. energy: -0.704 local terms energy: -436.230865 where: bonds (distance) C4'-P energy: -82.181 bonds (distance) P-C4' energy: -80.061 flat angles C4'-P-C4' energy: -95.387 flat angles P-C4'-P energy: -46.829 tors. eta vs tors. theta energy: -131.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1270.327190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.327190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.327190 (E_RNA) where: Base-Base interactions energy: -857.722 where: short stacking energy: -381.865 Base-Backbone interact. energy: -2.952 local terms energy: -409.652825 where: bonds (distance) C4'-P energy: -79.686 bonds (distance) P-C4' energy: -79.117 flat angles C4'-P-C4' energy: -93.370 flat angles P-C4'-P energy: -57.346 tors. eta vs tors. theta energy: -100.134 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: 7 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1150.996431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.996431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.996431 (E_RNA) where: Base-Base interactions energy: -775.604 where: short stacking energy: -346.359 Base-Backbone interact. energy: -0.143 local terms energy: -375.249632 where: bonds (distance) C4'-P energy: -69.257 bonds (distance) P-C4' energy: -71.582 flat angles C4'-P-C4' energy: -85.785 flat angles P-C4'-P energy: -58.284 tors. eta vs tors. theta energy: -90.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1119.223680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.223680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.223680 (E_RNA) where: Base-Base interactions energy: -741.094 where: short stacking energy: -327.819 Base-Backbone interact. energy: -1.112 local terms energy: -377.017530 where: bonds (distance) C4'-P energy: -90.065 bonds (distance) P-C4' energy: -76.766 flat angles C4'-P-C4' energy: -77.283 flat angles P-C4'-P energy: -43.496 tors. eta vs tors. theta energy: -89.409 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: 4 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1124.212681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.212681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.212681 (E_RNA) where: Base-Base interactions energy: -756.796 where: short stacking energy: -349.135 Base-Backbone interact. energy: -0.386 local terms energy: -367.030204 where: bonds (distance) C4'-P energy: -79.280 bonds (distance) P-C4' energy: -55.386 flat angles C4'-P-C4' energy: -82.303 flat angles P-C4'-P energy: -54.893 tors. eta vs tors. theta energy: -95.168 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: 2 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -922.250761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.250761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.250761 (E_RNA) where: Base-Base interactions energy: -600.266 where: short stacking energy: -261.926 Base-Backbone interact. energy: -0.020 local terms energy: -321.964638 where: bonds (distance) C4'-P energy: -63.544 bonds (distance) P-C4' energy: -60.986 flat angles C4'-P-C4' energy: -64.577 flat angles P-C4'-P energy: -58.754 tors. eta vs tors. theta energy: -74.104 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: 7, replica: 6 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -771.798561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.798561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.798561 (E_RNA) where: Base-Base interactions energy: -473.173 where: short stacking energy: -238.594 Base-Backbone interact. energy: -1.320 local terms energy: -297.305447 where: bonds (distance) C4'-P energy: -64.384 bonds (distance) P-C4' energy: -79.304 flat angles C4'-P-C4' energy: -63.120 flat angles P-C4'-P energy: -37.657 tors. eta vs tors. theta energy: -52.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -722.422409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.422409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.422409 (E_RNA) where: Base-Base interactions energy: -438.763 where: short stacking energy: -214.174 Base-Backbone interact. energy: -1.375 local terms energy: -282.284952 where: bonds (distance) C4'-P energy: -56.430 bonds (distance) P-C4' energy: -65.025 flat angles C4'-P-C4' energy: -77.714 flat angles P-C4'-P energy: -44.912 tors. eta vs tors. theta energy: -38.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -528.896503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.896503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.896503 (E_RNA) where: Base-Base interactions energy: -263.682 where: short stacking energy: -143.337 Base-Backbone interact. energy: 0.828 local terms energy: -266.042364 where: bonds (distance) C4'-P energy: -72.150 bonds (distance) P-C4' energy: -80.837 flat angles C4'-P-C4' energy: -66.368 flat angles P-C4'-P energy: -35.469 tors. eta vs tors. theta energy: -11.219 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: 442 Temperature: 1.350000 Total energy: -323.975625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.975625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.975625 (E_RNA) where: Base-Base interactions energy: -121.941 where: short stacking energy: -102.665 Base-Backbone interact. energy: 1.690 local terms energy: -203.725190 where: bonds (distance) C4'-P energy: -52.828 bonds (distance) P-C4' energy: -73.769 flat angles C4'-P-C4' energy: -59.644 flat angles P-C4'-P energy: -27.026 tors. eta vs tors. theta energy: 9.542 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: 10 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1358.274452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.274452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.274452 (E_RNA) where: Base-Base interactions energy: -933.492 where: short stacking energy: -414.726 Base-Backbone interact. energy: -0.243 local terms energy: -424.539034 where: bonds (distance) C4'-P energy: -76.444 bonds (distance) P-C4' energy: -85.754 flat angles C4'-P-C4' energy: -83.187 flat angles P-C4'-P energy: -62.868 tors. eta vs tors. theta energy: -116.286 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: 2, replica: 1 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1261.390462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.390462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.390462 (E_RNA) where: Base-Base interactions energy: -848.981 where: short stacking energy: -371.046 Base-Backbone interact. energy: -1.301 local terms energy: -411.107972 where: bonds (distance) C4'-P energy: -81.087 bonds (distance) P-C4' energy: -85.325 flat angles C4'-P-C4' energy: -81.050 flat angles P-C4'-P energy: -50.853 tors. eta vs tors. theta energy: -112.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1152.590585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.590585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.590585 (E_RNA) where: Base-Base interactions energy: -775.715 where: short stacking energy: -341.454 Base-Backbone interact. energy: -1.147 local terms energy: -375.728702 where: bonds (distance) C4'-P energy: -82.981 bonds (distance) P-C4' energy: -69.116 flat angles C4'-P-C4' energy: -83.865 flat angles P-C4'-P energy: -43.674 tors. eta vs tors. theta energy: -96.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1141.943150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.943150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.943150 (E_RNA) where: Base-Base interactions energy: -758.972 where: short stacking energy: -351.408 Base-Backbone interact. energy: -1.974 local terms energy: -380.996461 where: bonds (distance) C4'-P energy: -73.357 bonds (distance) P-C4' energy: -75.752 flat angles C4'-P-C4' energy: -73.694 flat angles P-C4'-P energy: -63.894 tors. eta vs tors. theta energy: -94.300 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: 4 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1110.914818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.914818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.914818 (E_RNA) where: Base-Base interactions energy: -739.732 where: short stacking energy: -335.346 Base-Backbone interact. energy: 1.781 local terms energy: -372.963891 where: bonds (distance) C4'-P energy: -68.992 bonds (distance) P-C4' energy: -66.549 flat angles C4'-P-C4' energy: -84.680 flat angles P-C4'-P energy: -58.900 tors. eta vs tors. theta energy: -93.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -968.509730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.509730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.509730 (E_RNA) where: Base-Base interactions energy: -622.436 where: short stacking energy: -287.689 Base-Backbone interact. energy: -2.810 local terms energy: -343.263604 where: bonds (distance) C4'-P energy: -72.925 bonds (distance) P-C4' energy: -65.283 flat angles C4'-P-C4' energy: -82.590 flat angles P-C4'-P energy: -49.216 tors. eta vs tors. theta energy: -73.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -775.092953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.092953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.092953 (E_RNA) where: Base-Base interactions energy: -469.105 where: short stacking energy: -222.278 Base-Backbone interact. energy: -1.066 local terms energy: -304.922375 where: bonds (distance) C4'-P energy: -61.996 bonds (distance) P-C4' energy: -73.813 flat angles C4'-P-C4' energy: -72.229 flat angles P-C4'-P energy: -40.385 tors. eta vs tors. theta energy: -56.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -763.801775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.801775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.801775 (E_RNA) where: Base-Base interactions energy: -460.463 where: short stacking energy: -207.721 Base-Backbone interact. energy: -1.727 local terms energy: -301.612177 where: bonds (distance) C4'-P energy: -71.251 bonds (distance) P-C4' energy: -70.444 flat angles C4'-P-C4' energy: -64.123 flat angles P-C4'-P energy: -52.569 tors. eta vs tors. theta energy: -43.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -521.772048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.772048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.772048 (E_RNA) where: Base-Base interactions energy: -276.150 where: short stacking energy: -148.383 Base-Backbone interact. energy: 10.110 local terms energy: -255.731613 where: bonds (distance) C4'-P energy: -73.773 bonds (distance) P-C4' energy: -65.314 flat angles C4'-P-C4' energy: -64.777 flat angles P-C4'-P energy: -39.451 tors. eta vs tors. theta energy: -12.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -340.137342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.137342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.137342 (E_RNA) where: Base-Base interactions energy: -122.265 where: short stacking energy: -112.604 Base-Backbone interact. energy: 3.741 local terms energy: -221.613510 where: bonds (distance) C4'-P energy: -68.006 bonds (distance) P-C4' energy: -68.491 flat angles C4'-P-C4' energy: -63.612 flat angles P-C4'-P energy: -23.153 tors. eta vs tors. theta energy: 1.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1383.278072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.278072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.278072 (E_RNA) where: Base-Base interactions energy: -946.137 where: short stacking energy: -435.829 Base-Backbone interact. energy: -0.953 local terms energy: -436.187895 where: bonds (distance) C4'-P energy: -69.590 bonds (distance) P-C4' energy: -83.599 flat angles C4'-P-C4' energy: -89.626 flat angles P-C4'-P energy: -63.424 tors. eta vs tors. theta energy: -129.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1301.493625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.493625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.493625 (E_RNA) where: Base-Base interactions energy: -892.839 where: short stacking energy: -390.636 Base-Backbone interact. energy: -1.022 local terms energy: -407.632486 where: bonds (distance) C4'-P energy: -69.319 bonds (distance) P-C4' energy: -76.718 flat angles C4'-P-C4' energy: -94.193 flat angles P-C4'-P energy: -60.361 tors. eta vs tors. theta energy: -107.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1174.553001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.553001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.553001 (E_RNA) where: Base-Base interactions energy: -773.720 where: short stacking energy: -349.119 Base-Backbone interact. energy: -2.157 local terms energy: -398.675570 where: bonds (distance) C4'-P energy: -74.375 bonds (distance) P-C4' energy: -79.226 flat angles C4'-P-C4' energy: -83.670 flat angles P-C4'-P energy: -60.570 tors. eta vs tors. theta energy: -100.834 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: 444 Temperature: 1.050000 Total energy: -1134.369765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.369765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.369765 (E_RNA) where: Base-Base interactions energy: -740.913 where: short stacking energy: -372.092 Base-Backbone interact. energy: -2.027 local terms energy: -391.429218 where: bonds (distance) C4'-P energy: -78.352 bonds (distance) P-C4' energy: -68.637 flat angles C4'-P-C4' energy: -77.172 flat angles P-C4'-P energy: -51.109 tors. eta vs tors. theta energy: -116.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1090.945588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.945588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.945588 (E_RNA) where: Base-Base interactions energy: -728.245 where: short stacking energy: -319.769 Base-Backbone interact. energy: -1.383 local terms energy: -361.317918 where: bonds (distance) C4'-P energy: -63.590 bonds (distance) P-C4' energy: -72.306 flat angles C4'-P-C4' energy: -87.894 flat angles P-C4'-P energy: -49.736 tors. eta vs tors. theta energy: -87.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -954.851598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.851598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.851598 (E_RNA) where: Base-Base interactions energy: -613.615 where: short stacking energy: -265.971 Base-Backbone interact. energy: -3.262 local terms energy: -337.974184 where: bonds (distance) C4'-P energy: -71.727 bonds (distance) P-C4' energy: -72.500 flat angles C4'-P-C4' energy: -79.950 flat angles P-C4'-P energy: -36.544 tors. eta vs tors. theta energy: -77.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -747.936539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.936539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.936539 (E_RNA) where: Base-Base interactions energy: -449.741 where: short stacking energy: -250.585 Base-Backbone interact. energy: -2.070 local terms energy: -296.125213 where: bonds (distance) C4'-P energy: -65.926 bonds (distance) P-C4' energy: -74.271 flat angles C4'-P-C4' energy: -68.398 flat angles P-C4'-P energy: -41.892 tors. eta vs tors. theta energy: -45.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -738.053886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.053886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.053886 (E_RNA) where: Base-Base interactions energy: -438.661 where: short stacking energy: -201.893 Base-Backbone interact. energy: 1.356 local terms energy: -300.748693 where: bonds (distance) C4'-P energy: -65.176 bonds (distance) P-C4' energy: -72.991 flat angles C4'-P-C4' energy: -69.510 flat angles P-C4'-P energy: -49.257 tors. eta vs tors. theta energy: -43.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -358.580490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.580490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.580490 (E_RNA) where: Base-Base interactions energy: -136.481 where: short stacking energy: -119.270 Base-Backbone interact. energy: 0.852 local terms energy: -222.951971 where: bonds (distance) C4'-P energy: -65.884 bonds (distance) P-C4' energy: -59.163 flat angles C4'-P-C4' energy: -67.002 flat angles P-C4'-P energy: -29.537 tors. eta vs tors. theta energy: -1.366 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: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -494.967218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.967218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.967218 (E_RNA) where: Base-Base interactions energy: -259.391 where: short stacking energy: -143.420 Base-Backbone interact. energy: -0.168 local terms energy: -235.408322 where: bonds (distance) C4'-P energy: -70.102 bonds (distance) P-C4' energy: -71.947 flat angles C4'-P-C4' energy: -56.818 flat angles P-C4'-P energy: -26.763 tors. eta vs tors. theta energy: -9.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1379.349153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.349153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.349153 (E_RNA) where: Base-Base interactions energy: -939.306 where: short stacking energy: -432.722 Base-Backbone interact. energy: -1.186 local terms energy: -438.857418 where: bonds (distance) C4'-P energy: -75.709 bonds (distance) P-C4' energy: -82.078 flat angles C4'-P-C4' energy: -88.114 flat angles P-C4'-P energy: -61.788 tors. eta vs tors. theta energy: -131.168 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: 2, replica: 1 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1270.476416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.476416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.476416 (E_RNA) where: Base-Base interactions energy: -857.678 where: short stacking energy: -387.513 Base-Backbone interact. energy: -1.292 local terms energy: -411.506801 where: bonds (distance) C4'-P energy: -75.999 bonds (distance) P-C4' energy: -80.749 flat angles C4'-P-C4' energy: -88.531 flat angles P-C4'-P energy: -58.913 tors. eta vs tors. theta energy: -107.314 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: 7 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1172.381306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.381306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.381306 (E_RNA) where: Base-Base interactions energy: -801.667 where: short stacking energy: -333.858 Base-Backbone interact. energy: -1.562 local terms energy: -369.151791 where: bonds (distance) C4'-P energy: -67.021 bonds (distance) P-C4' energy: -71.827 flat angles C4'-P-C4' energy: -84.613 flat angles P-C4'-P energy: -58.875 tors. eta vs tors. theta energy: -86.815 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: 9 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1160.812018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.812018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.812018 (E_RNA) where: Base-Base interactions energy: -758.567 where: short stacking energy: -377.573 Base-Backbone interact. energy: -3.452 local terms energy: -398.792427 where: bonds (distance) C4'-P energy: -72.170 bonds (distance) P-C4' energy: -71.331 flat angles C4'-P-C4' energy: -89.526 flat angles P-C4'-P energy: -57.558 tors. eta vs tors. theta energy: -108.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1171.497309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.497309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.497309 (E_RNA) where: Base-Base interactions energy: -772.024 where: short stacking energy: -357.193 Base-Backbone interact. energy: 0.647 local terms energy: -400.120516 where: bonds (distance) C4'-P energy: -70.434 bonds (distance) P-C4' energy: -80.030 flat angles C4'-P-C4' energy: -82.622 flat angles P-C4'-P energy: -53.158 tors. eta vs tors. theta energy: -113.876 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: 2 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1001.663679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.663679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.663679 (E_RNA) where: Base-Base interactions energy: -655.580 where: short stacking energy: -296.359 Base-Backbone interact. energy: -3.307 local terms energy: -342.776887 where: bonds (distance) C4'-P energy: -71.392 bonds (distance) P-C4' energy: -69.278 flat angles C4'-P-C4' energy: -75.576 flat angles P-C4'-P energy: -43.492 tors. eta vs tors. theta energy: -83.039 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: 6 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -741.846779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.846779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.846779 (E_RNA) where: Base-Base interactions energy: -460.929 where: short stacking energy: -217.176 Base-Backbone interact. energy: -0.873 local terms energy: -280.044979 where: bonds (distance) C4'-P energy: -54.202 bonds (distance) P-C4' energy: -62.625 flat angles C4'-P-C4' energy: -68.973 flat angles P-C4'-P energy: -55.778 tors. eta vs tors. theta energy: -38.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -730.404717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.404717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.404717 (E_RNA) where: Base-Base interactions energy: -442.876 where: short stacking energy: -202.750 Base-Backbone interact. energy: -2.099 local terms energy: -285.430280 where: bonds (distance) C4'-P energy: -68.727 bonds (distance) P-C4' energy: -63.241 flat angles C4'-P-C4' energy: -70.058 flat angles P-C4'-P energy: -39.387 tors. eta vs tors. theta energy: -44.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -356.033176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.033176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.033176 (E_RNA) where: Base-Base interactions energy: -113.318 where: short stacking energy: -91.500 Base-Backbone interact. energy: -0.123 local terms energy: -242.592726 where: bonds (distance) C4'-P energy: -67.025 bonds (distance) P-C4' energy: -73.090 flat angles C4'-P-C4' energy: -65.894 flat angles P-C4'-P energy: -43.277 tors. eta vs tors. theta energy: 6.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -493.540305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.540305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.540305 (E_RNA) where: Base-Base interactions energy: -256.986 where: short stacking energy: -151.352 Base-Backbone interact. energy: -1.126 local terms energy: -235.427911 where: bonds (distance) C4'-P energy: -64.519 bonds (distance) P-C4' energy: -63.515 flat angles C4'-P-C4' energy: -64.211 flat angles P-C4'-P energy: -36.106 tors. eta vs tors. theta energy: -7.077 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: 1, replica: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1389.773765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.773765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.773765 (E_RNA) where: Base-Base interactions energy: -947.536 where: short stacking energy: -436.282 Base-Backbone interact. energy: -1.270 local terms energy: -440.968245 where: bonds (distance) C4'-P energy: -72.569 bonds (distance) P-C4' energy: -78.079 flat angles C4'-P-C4' energy: -92.761 flat angles P-C4'-P energy: -63.416 tors. eta vs tors. theta energy: -134.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1281.177611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.177611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.177611 (E_RNA) where: Base-Base interactions energy: -867.573 where: short stacking energy: -378.201 Base-Backbone interact. energy: -0.566 local terms energy: -413.038777 where: bonds (distance) C4'-P energy: -76.209 bonds (distance) P-C4' energy: -69.377 flat angles C4'-P-C4' energy: -92.458 flat angles P-C4'-P energy: -61.933 tors. eta vs tors. theta energy: -113.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1166.269499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.269499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.269499 (E_RNA) where: Base-Base interactions energy: -787.634 where: short stacking energy: -345.519 Base-Backbone interact. energy: -1.696 local terms energy: -376.939771 where: bonds (distance) C4'-P energy: -70.448 bonds (distance) P-C4' energy: -77.539 flat angles C4'-P-C4' energy: -83.387 flat angles P-C4'-P energy: -52.907 tors. eta vs tors. theta energy: -92.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1089.660628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.660628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.660628 (E_RNA) where: Base-Base interactions energy: -722.894 where: short stacking energy: -322.309 Base-Backbone interact. energy: -2.754 local terms energy: -364.012210 where: bonds (distance) C4'-P energy: -72.441 bonds (distance) P-C4' energy: -81.391 flat angles C4'-P-C4' energy: -83.703 flat angles P-C4'-P energy: -43.274 tors. eta vs tors. theta energy: -83.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1144.942005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.942005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.942005 (E_RNA) where: Base-Base interactions energy: -739.740 where: short stacking energy: -342.955 Base-Backbone interact. energy: -0.338 local terms energy: -404.864242 where: bonds (distance) C4'-P energy: -77.246 bonds (distance) P-C4' energy: -78.434 flat angles C4'-P-C4' energy: -83.888 flat angles P-C4'-P energy: -57.305 tors. eta vs tors. theta energy: -107.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -957.766881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.766881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.766881 (E_RNA) where: Base-Base interactions energy: -617.838 where: short stacking energy: -288.785 Base-Backbone interact. energy: -2.001 local terms energy: -337.928076 where: bonds (distance) C4'-P energy: -74.182 bonds (distance) P-C4' energy: -76.754 flat angles C4'-P-C4' energy: -74.569 flat angles P-C4'-P energy: -39.381 tors. eta vs tors. theta energy: -73.041 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: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -735.030205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.030205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.030205 (E_RNA) where: Base-Base interactions energy: -442.115 where: short stacking energy: -224.372 Base-Backbone interact. energy: -3.008 local terms energy: -289.907101 where: bonds (distance) C4'-P energy: -62.633 bonds (distance) P-C4' energy: -68.676 flat angles C4'-P-C4' energy: -79.499 flat angles P-C4'-P energy: -34.252 tors. eta vs tors. theta energy: -44.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -732.735111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.735111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.735111 (E_RNA) where: Base-Base interactions energy: -459.667 where: short stacking energy: -229.653 Base-Backbone interact. energy: 0.352 local terms energy: -273.419722 where: bonds (distance) C4'-P energy: -73.974 bonds (distance) P-C4' energy: -72.568 flat angles C4'-P-C4' energy: -62.942 flat angles P-C4'-P energy: -27.598 tors. eta vs tors. theta energy: -36.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -507.923988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.923988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.923988 (E_RNA) where: Base-Base interactions energy: -268.043 where: short stacking energy: -139.716 Base-Backbone interact. energy: 0.250 local terms energy: -240.130449 where: bonds (distance) C4'-P energy: -55.044 bonds (distance) P-C4' energy: -71.425 flat angles C4'-P-C4' energy: -59.671 flat angles P-C4'-P energy: -47.642 tors. eta vs tors. theta energy: -6.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -329.117255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.117255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.117255 (E_RNA) where: Base-Base interactions energy: -113.115 where: short stacking energy: -84.465 Base-Backbone interact. energy: 0.301 local terms energy: -216.302614 where: bonds (distance) C4'-P energy: -75.624 bonds (distance) P-C4' energy: -68.717 flat angles C4'-P-C4' energy: -59.457 flat angles P-C4'-P energy: -26.384 tors. eta vs tors. theta energy: 13.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1371.370743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.370743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.370743 (E_RNA) where: Base-Base interactions energy: -903.611 where: short stacking energy: -427.976 Base-Backbone interact. energy: -1.063 local terms energy: -466.696154 where: bonds (distance) C4'-P energy: -88.419 bonds (distance) P-C4' energy: -82.082 flat angles C4'-P-C4' energy: -96.757 flat angles P-C4'-P energy: -66.448 tors. eta vs tors. theta energy: -132.991 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: 2, replica: 1 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1271.198991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.198991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.198991 (E_RNA) where: Base-Base interactions energy: -846.358 where: short stacking energy: -385.349 Base-Backbone interact. energy: -2.218 local terms energy: -422.622381 where: bonds (distance) C4'-P energy: -77.783 bonds (distance) P-C4' energy: -76.670 flat angles C4'-P-C4' energy: -90.732 flat angles P-C4'-P energy: -56.346 tors. eta vs tors. theta energy: -121.091 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: 7 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1201.707947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.707947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.707947 (E_RNA) where: Base-Base interactions energy: -796.301 where: short stacking energy: -347.208 Base-Backbone interact. energy: -0.878 local terms energy: -404.528699 where: bonds (distance) C4'-P energy: -68.356 bonds (distance) P-C4' energy: -83.617 flat angles C4'-P-C4' energy: -91.300 flat angles P-C4'-P energy: -63.742 tors. eta vs tors. theta energy: -97.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1148.468904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.468904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.468904 (E_RNA) where: Base-Base interactions energy: -761.237 where: short stacking energy: -343.170 Base-Backbone interact. energy: 5.048 local terms energy: -392.279941 where: bonds (distance) C4'-P energy: -72.466 bonds (distance) P-C4' energy: -79.573 flat angles C4'-P-C4' energy: -84.887 flat angles P-C4'-P energy: -45.623 tors. eta vs tors. theta energy: -109.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1089.045558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.045558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.045558 (E_RNA) where: Base-Base interactions energy: -714.309 where: short stacking energy: -334.860 Base-Backbone interact. energy: -0.308 local terms energy: -374.428795 where: bonds (distance) C4'-P energy: -76.956 bonds (distance) P-C4' energy: -81.062 flat angles C4'-P-C4' energy: -81.455 flat angles P-C4'-P energy: -40.368 tors. eta vs tors. theta energy: -94.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -922.747510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.747510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.747510 (E_RNA) where: Base-Base interactions energy: -586.283 where: short stacking energy: -263.358 Base-Backbone interact. energy: 3.387 local terms energy: -339.851413 where: bonds (distance) C4'-P energy: -66.400 bonds (distance) P-C4' energy: -64.591 flat angles C4'-P-C4' energy: -78.477 flat angles P-C4'-P energy: -58.980 tors. eta vs tors. theta energy: -71.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -719.824244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.824244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.824244 (E_RNA) where: Base-Base interactions energy: -420.978 where: short stacking energy: -206.102 Base-Backbone interact. energy: -2.064 local terms energy: -296.782345 where: bonds (distance) C4'-P energy: -70.889 bonds (distance) P-C4' energy: -68.655 flat angles C4'-P-C4' energy: -75.880 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -40.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -734.641469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.641469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.641469 (E_RNA) where: Base-Base interactions energy: -443.379 where: short stacking energy: -215.858 Base-Backbone interact. energy: -0.641 local terms energy: -290.621605 where: bonds (distance) C4'-P energy: -60.334 bonds (distance) P-C4' energy: -74.796 flat angles C4'-P-C4' energy: -69.971 flat angles P-C4'-P energy: -39.198 tors. eta vs tors. theta energy: -46.323 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: 3 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -511.785924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.785924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.785924 (E_RNA) where: Base-Base interactions energy: -268.248 where: short stacking energy: -141.095 Base-Backbone interact. energy: 0.486 local terms energy: -244.023962 where: bonds (distance) C4'-P energy: -67.277 bonds (distance) P-C4' energy: -65.097 flat angles C4'-P-C4' energy: -70.072 flat angles P-C4'-P energy: -28.172 tors. eta vs tors. theta energy: -13.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -360.031792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.031792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.031792 (E_RNA) where: Base-Base interactions energy: -125.079 where: short stacking energy: -91.590 Base-Backbone interact. energy: -1.488 local terms energy: -233.464421 where: bonds (distance) C4'-P energy: -62.987 bonds (distance) P-C4' energy: -79.633 flat angles C4'-P-C4' energy: -59.379 flat angles P-C4'-P energy: -39.263 tors. eta vs tors. theta energy: 7.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1385.596550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.596550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.596550 (E_RNA) where: Base-Base interactions energy: -934.216 where: short stacking energy: -429.267 Base-Backbone interact. energy: -1.025 local terms energy: -450.355356 where: bonds (distance) C4'-P energy: -74.895 bonds (distance) P-C4' energy: -82.744 flat angles C4'-P-C4' energy: -98.257 flat angles P-C4'-P energy: -65.966 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: 2, replica: 1 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1295.851158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.851158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.851158 (E_RNA) where: Base-Base interactions energy: -882.228 where: short stacking energy: -400.695 Base-Backbone interact. energy: -1.090 local terms energy: -412.532644 where: bonds (distance) C4'-P energy: -67.565 bonds (distance) P-C4' energy: -81.222 flat angles C4'-P-C4' energy: -86.914 flat angles P-C4'-P energy: -60.656 tors. eta vs tors. theta energy: -116.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1202.039487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.039487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.039487 (E_RNA) where: Base-Base interactions energy: -803.263 where: short stacking energy: -370.280 Base-Backbone interact. energy: -2.141 local terms energy: -396.636365 where: bonds (distance) C4'-P energy: -70.549 bonds (distance) P-C4' energy: -71.912 flat angles C4'-P-C4' energy: -83.167 flat angles P-C4'-P energy: -59.899 tors. eta vs tors. theta energy: -111.110 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: 7 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1177.602080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.602080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.602080 (E_RNA) where: Base-Base interactions energy: -790.037 where: short stacking energy: -349.808 Base-Backbone interact. energy: -1.496 local terms energy: -386.068522 where: bonds (distance) C4'-P energy: -74.288 bonds (distance) P-C4' energy: -67.593 flat angles C4'-P-C4' energy: -88.778 flat angles P-C4'-P energy: -53.875 tors. eta vs tors. theta energy: -101.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1036.643991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.643991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.643991 (E_RNA) where: Base-Base interactions energy: -660.994 where: short stacking energy: -298.028 Base-Backbone interact. energy: -0.462 local terms energy: -375.187812 where: bonds (distance) C4'-P energy: -76.927 bonds (distance) P-C4' energy: -68.316 flat angles C4'-P-C4' energy: -90.888 flat angles P-C4'-P energy: -54.910 tors. eta vs tors. theta energy: -84.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -898.037102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.037102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.037102 (E_RNA) where: Base-Base interactions energy: -603.266 where: short stacking energy: -279.488 Base-Backbone interact. energy: 0.023 local terms energy: -294.794362 where: bonds (distance) C4'-P energy: -61.650 bonds (distance) P-C4' energy: -70.900 flat angles C4'-P-C4' energy: -71.515 flat angles P-C4'-P energy: -29.280 tors. eta vs tors. theta energy: -61.449 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: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -729.351891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.351891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.351891 (E_RNA) where: Base-Base interactions energy: -429.564 where: short stacking energy: -207.698 Base-Backbone interact. energy: -2.732 local terms energy: -297.056514 where: bonds (distance) C4'-P energy: -72.419 bonds (distance) P-C4' energy: -76.132 flat angles C4'-P-C4' energy: -61.417 flat angles P-C4'-P energy: -43.185 tors. eta vs tors. theta energy: -43.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -682.349209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.349209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.349209 (E_RNA) where: Base-Base interactions energy: -389.165 where: short stacking energy: -193.586 Base-Backbone interact. energy: -1.218 local terms energy: -291.965762 where: bonds (distance) C4'-P energy: -71.817 bonds (distance) P-C4' energy: -70.461 flat angles C4'-P-C4' energy: -68.777 flat angles P-C4'-P energy: -44.919 tors. eta vs tors. theta energy: -35.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -466.511081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.511081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.511081 (E_RNA) where: Base-Base interactions energy: -252.081 where: short stacking energy: -116.270 Base-Backbone interact. energy: -0.296 local terms energy: -214.134228 where: bonds (distance) C4'-P energy: -48.605 bonds (distance) P-C4' energy: -78.784 flat angles C4'-P-C4' energy: -57.707 flat angles P-C4'-P energy: -43.198 tors. eta vs tors. theta energy: 14.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -407.606676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.606676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.606676 (E_RNA) where: Base-Base interactions energy: -168.787 where: short stacking energy: -105.054 Base-Backbone interact. energy: -2.580 local terms energy: -236.240015 where: bonds (distance) C4'-P energy: -77.623 bonds (distance) P-C4' energy: -59.773 flat angles C4'-P-C4' energy: -62.461 flat angles P-C4'-P energy: -35.023 tors. eta vs tors. theta energy: -1.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1362.491218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.491218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.491218 (E_RNA) where: Base-Base interactions energy: -913.691 where: short stacking energy: -420.926 Base-Backbone interact. energy: -2.156 local terms energy: -446.644244 where: bonds (distance) C4'-P energy: -80.607 bonds (distance) P-C4' energy: -82.799 flat angles C4'-P-C4' energy: -94.452 flat angles P-C4'-P energy: -60.150 tors. eta vs tors. theta energy: -128.636 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: 1 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1277.189629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.189629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.189629 (E_RNA) where: Base-Base interactions energy: -867.396 where: short stacking energy: -361.059 Base-Backbone interact. energy: -3.837 local terms energy: -405.956144 where: bonds (distance) C4'-P energy: -67.998 bonds (distance) P-C4' energy: -78.254 flat angles C4'-P-C4' energy: -93.850 flat angles P-C4'-P energy: -63.617 tors. eta vs tors. theta energy: -102.237 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: 4 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1199.224383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.224383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.224383 (E_RNA) where: Base-Base interactions energy: -786.664 where: short stacking energy: -363.369 Base-Backbone interact. energy: 3.034 local terms energy: -415.594892 where: bonds (distance) C4'-P energy: -82.179 bonds (distance) P-C4' energy: -84.125 flat angles C4'-P-C4' energy: -95.611 flat angles P-C4'-P energy: -49.657 tors. eta vs tors. theta energy: -104.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1175.003907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.003907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.003907 (E_RNA) where: Base-Base interactions energy: -790.693 where: short stacking energy: -328.256 Base-Backbone interact. energy: -0.864 local terms energy: -383.446687 where: bonds (distance) C4'-P energy: -69.342 bonds (distance) P-C4' energy: -68.700 flat angles C4'-P-C4' energy: -93.191 flat angles P-C4'-P energy: -57.918 tors. eta vs tors. theta energy: -94.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1001.565845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.565845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.565845 (E_RNA) where: Base-Base interactions energy: -646.873 where: short stacking energy: -308.948 Base-Backbone interact. energy: 2.466 local terms energy: -357.159000 where: bonds (distance) C4'-P energy: -75.156 bonds (distance) P-C4' energy: -77.071 flat angles C4'-P-C4' energy: -81.425 flat angles P-C4'-P energy: -44.271 tors. eta vs tors. theta energy: -79.236 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: 2 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -881.041069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.041069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.041069 (E_RNA) where: Base-Base interactions energy: -561.718 where: short stacking energy: -264.865 Base-Backbone interact. energy: -0.470 local terms energy: -318.853281 where: bonds (distance) C4'-P energy: -61.798 bonds (distance) P-C4' energy: -71.696 flat angles C4'-P-C4' energy: -78.477 flat angles P-C4'-P energy: -45.241 tors. eta vs tors. theta energy: -61.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -705.317663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.317663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.317663 (E_RNA) where: Base-Base interactions energy: -426.962 where: short stacking energy: -209.195 Base-Backbone interact. energy: 0.158 local terms energy: -278.513293 where: bonds (distance) C4'-P energy: -74.432 bonds (distance) P-C4' energy: -73.498 flat angles C4'-P-C4' energy: -69.132 flat angles P-C4'-P energy: -25.218 tors. eta vs tors. theta energy: -36.234 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: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -688.585618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.585618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.585618 (E_RNA) where: Base-Base interactions energy: -410.888 where: short stacking energy: -217.428 Base-Backbone interact. energy: -1.291 local terms energy: -276.406492 where: bonds (distance) C4'-P energy: -58.737 bonds (distance) P-C4' energy: -73.343 flat angles C4'-P-C4' energy: -60.977 flat angles P-C4'-P energy: -37.076 tors. eta vs tors. theta energy: -46.273 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: 3 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -451.490090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.490090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.490090 (E_RNA) where: Base-Base interactions energy: -217.451 where: short stacking energy: -135.616 Base-Backbone interact. energy: 1.257 local terms energy: -235.296113 where: bonds (distance) C4'-P energy: -59.998 bonds (distance) P-C4' energy: -68.427 flat angles C4'-P-C4' energy: -65.122 flat angles P-C4'-P energy: -35.966 tors. eta vs tors. theta energy: -5.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -445.529886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.529886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.529886 (E_RNA) where: Base-Base interactions energy: -201.842 where: short stacking energy: -132.983 Base-Backbone interact. energy: 0.571 local terms energy: -244.259300 where: bonds (distance) C4'-P energy: -56.176 bonds (distance) P-C4' energy: -73.544 flat angles C4'-P-C4' energy: -71.119 flat angles P-C4'-P energy: -41.475 tors. eta vs tors. theta energy: -1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1351.260547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.260547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.260547 (E_RNA) where: Base-Base interactions energy: -917.105 where: short stacking energy: -420.013 Base-Backbone interact. energy: -0.547 local terms energy: -433.609018 where: bonds (distance) C4'-P energy: -71.248 bonds (distance) P-C4' energy: -79.222 flat angles C4'-P-C4' energy: -87.344 flat angles P-C4'-P energy: -71.234 tors. eta vs tors. theta energy: -124.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1278.014322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.014322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.014322 (E_RNA) where: Base-Base interactions energy: -866.189 where: short stacking energy: -366.043 Base-Backbone interact. energy: -0.122 local terms energy: -411.703356 where: bonds (distance) C4'-P energy: -78.896 bonds (distance) P-C4' energy: -73.638 flat angles C4'-P-C4' energy: -92.386 flat angles P-C4'-P energy: -58.671 tors. eta vs tors. theta energy: -108.112 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: 7 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1214.763329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.763329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.763329 (E_RNA) where: Base-Base interactions energy: -802.241 where: short stacking energy: -347.157 Base-Backbone interact. energy: -2.958 local terms energy: -409.563754 where: bonds (distance) C4'-P energy: -72.502 bonds (distance) P-C4' energy: -89.008 flat angles C4'-P-C4' energy: -85.102 flat angles P-C4'-P energy: -63.751 tors. eta vs tors. theta energy: -99.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1162.301070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.301070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.301070 (E_RNA) where: Base-Base interactions energy: -765.772 where: short stacking energy: -326.868 Base-Backbone interact. energy: -0.893 local terms energy: -395.635625 where: bonds (distance) C4'-P energy: -78.305 bonds (distance) P-C4' energy: -87.534 flat angles C4'-P-C4' energy: -77.434 flat angles P-C4'-P energy: -59.705 tors. eta vs tors. theta energy: -92.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1014.027908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.027908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.027908 (E_RNA) where: Base-Base interactions energy: -646.562 where: short stacking energy: -301.345 Base-Backbone interact. energy: 1.716 local terms energy: -369.182595 where: bonds (distance) C4'-P energy: -83.028 bonds (distance) P-C4' energy: -74.980 flat angles C4'-P-C4' energy: -69.805 flat angles P-C4'-P energy: -51.833 tors. eta vs tors. theta energy: -89.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -914.553771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.553771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.553771 (E_RNA) where: Base-Base interactions energy: -584.269 where: short stacking energy: -284.169 Base-Backbone interact. energy: -2.486 local terms energy: -327.798215 where: bonds (distance) C4'-P energy: -70.896 bonds (distance) P-C4' energy: -70.087 flat angles C4'-P-C4' energy: -69.659 flat angles P-C4'-P energy: -46.371 tors. eta vs tors. theta energy: -70.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -746.748133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.748133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.748133 (E_RNA) where: Base-Base interactions energy: -464.913 where: short stacking energy: -218.529 Base-Backbone interact. energy: -1.050 local terms energy: -280.785253 where: bonds (distance) C4'-P energy: -56.458 bonds (distance) P-C4' energy: -77.536 flat angles C4'-P-C4' energy: -68.145 flat angles P-C4'-P energy: -42.017 tors. eta vs tors. theta energy: -36.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -686.516316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.516316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.516316 (E_RNA) where: Base-Base interactions energy: -390.000 where: short stacking energy: -185.351 Base-Backbone interact. energy: 1.164 local terms energy: -297.680678 where: bonds (distance) C4'-P energy: -63.556 bonds (distance) P-C4' energy: -77.653 flat angles C4'-P-C4' energy: -75.752 flat angles P-C4'-P energy: -55.349 tors. eta vs tors. theta energy: -25.372 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: 3 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -438.323446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.323446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.323446 (E_RNA) where: Base-Base interactions energy: -193.720 where: short stacking energy: -123.239 Base-Backbone interact. energy: -2.185 local terms energy: -242.418784 where: bonds (distance) C4'-P energy: -75.913 bonds (distance) P-C4' energy: -76.602 flat angles C4'-P-C4' energy: -60.851 flat angles P-C4'-P energy: -27.017 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -420.252443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.252443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.252443 (E_RNA) where: Base-Base interactions energy: -190.360 where: short stacking energy: -104.832 Base-Backbone interact. energy: -0.873 local terms energy: -229.019214 where: bonds (distance) C4'-P energy: -75.039 bonds (distance) P-C4' energy: -65.752 flat angles C4'-P-C4' energy: -60.618 flat angles P-C4'-P energy: -34.292 tors. eta vs tors. theta energy: 6.683 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: 1, replica: 10 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1361.813354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.813354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.813354 (E_RNA) where: Base-Base interactions energy: -914.750 where: short stacking energy: -428.292 Base-Backbone interact. energy: -1.085 local terms energy: -445.978314 where: bonds (distance) C4'-P energy: -82.683 bonds (distance) P-C4' energy: -76.019 flat angles C4'-P-C4' energy: -91.551 flat angles P-C4'-P energy: -63.400 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: 2, replica: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1282.189741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.189741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.189741 (E_RNA) where: Base-Base interactions energy: -868.515 where: short stacking energy: -392.053 Base-Backbone interact. energy: -1.550 local terms energy: -412.124427 where: bonds (distance) C4'-P energy: -85.083 bonds (distance) P-C4' energy: -71.478 flat angles C4'-P-C4' energy: -84.172 flat angles P-C4'-P energy: -53.073 tors. eta vs tors. theta energy: -118.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1229.579225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.579225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.579225 (E_RNA) where: Base-Base interactions energy: -843.027 where: short stacking energy: -381.109 Base-Backbone interact. energy: -1.205 local terms energy: -385.346928 where: bonds (distance) C4'-P energy: -60.474 bonds (distance) P-C4' energy: -81.300 flat angles C4'-P-C4' energy: -81.209 flat angles P-C4'-P energy: -58.423 tors. eta vs tors. theta energy: -103.940 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: 4 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1182.192886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.192886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.192886 (E_RNA) where: Base-Base interactions energy: -802.721 where: short stacking energy: -349.568 Base-Backbone interact. energy: -1.399 local terms energy: -378.072537 where: bonds (distance) C4'-P energy: -73.663 bonds (distance) P-C4' energy: -65.019 flat angles C4'-P-C4' energy: -78.753 flat angles P-C4'-P energy: -55.013 tors. eta vs tors. theta energy: -105.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1056.356435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.356435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.356435 (E_RNA) where: Base-Base interactions energy: -684.968 where: short stacking energy: -331.658 Base-Backbone interact. energy: -1.202 local terms energy: -370.186041 where: bonds (distance) C4'-P energy: -67.794 bonds (distance) P-C4' energy: -72.232 flat angles C4'-P-C4' energy: -84.698 flat angles P-C4'-P energy: -49.092 tors. eta vs tors. theta energy: -96.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -905.899224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.899224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.899224 (E_RNA) where: Base-Base interactions energy: -603.611 where: short stacking energy: -262.357 Base-Backbone interact. energy: -1.980 local terms energy: -300.308525 where: bonds (distance) C4'-P energy: -62.522 bonds (distance) P-C4' energy: -62.770 flat angles C4'-P-C4' energy: -73.684 flat angles P-C4'-P energy: -34.519 tors. eta vs tors. theta energy: -66.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -755.031173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.031173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.031173 (E_RNA) where: Base-Base interactions energy: -454.003 where: short stacking energy: -243.671 Base-Backbone interact. energy: 2.325 local terms energy: -303.353315 where: bonds (distance) C4'-P energy: -63.868 bonds (distance) P-C4' energy: -83.428 flat angles C4'-P-C4' energy: -68.326 flat angles P-C4'-P energy: -37.185 tors. eta vs tors. theta energy: -50.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -685.495024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.495024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.495024 (E_RNA) where: Base-Base interactions energy: -412.271 where: short stacking energy: -202.097 Base-Backbone interact. energy: -0.920 local terms energy: -272.303851 where: bonds (distance) C4'-P energy: -51.784 bonds (distance) P-C4' energy: -62.858 flat angles C4'-P-C4' energy: -71.883 flat angles P-C4'-P energy: -50.312 tors. eta vs tors. theta energy: -35.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -502.791458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.791458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.791458 (E_RNA) where: Base-Base interactions energy: -276.706 where: short stacking energy: -140.450 Base-Backbone interact. energy: -4.607 local terms energy: -221.477791 where: bonds (distance) C4'-P energy: -52.402 bonds (distance) P-C4' energy: -74.426 flat angles C4'-P-C4' energy: -62.426 flat angles P-C4'-P energy: -33.150 tors. eta vs tors. theta energy: 0.926 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: 451 Temperature: 1.350000 Total energy: -423.722616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.722616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.722616 (E_RNA) where: Base-Base interactions energy: -188.918 where: short stacking energy: -120.403 Base-Backbone interact. energy: -1.356 local terms energy: -233.449320 where: bonds (distance) C4'-P energy: -69.334 bonds (distance) P-C4' energy: -73.380 flat angles C4'-P-C4' energy: -64.447 flat angles P-C4'-P energy: -23.058 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1305.780685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.780685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.780685 (E_RNA) where: Base-Base interactions energy: -889.812 where: short stacking energy: -410.844 Base-Backbone interact. energy: -2.461 local terms energy: -413.508263 where: bonds (distance) C4'-P energy: -77.609 bonds (distance) P-C4' energy: -89.215 flat angles C4'-P-C4' energy: -85.363 flat angles P-C4'-P energy: -42.786 tors. eta vs tors. theta energy: -118.534 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: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1351.781329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.781329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.781329 (E_RNA) where: Base-Base interactions energy: -914.787 where: short stacking energy: -424.666 Base-Backbone interact. energy: -0.382 local terms energy: -436.611553 where: bonds (distance) C4'-P energy: -78.546 bonds (distance) P-C4' energy: -72.657 flat angles C4'-P-C4' energy: -86.997 flat angles P-C4'-P energy: -65.831 tors. eta vs tors. theta energy: -132.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1221.424494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.424494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.424494 (E_RNA) where: Base-Base interactions energy: -828.451 where: short stacking energy: -368.053 Base-Backbone interact. energy: -2.878 local terms energy: -390.095635 where: bonds (distance) C4'-P energy: -66.307 bonds (distance) P-C4' energy: -77.936 flat angles C4'-P-C4' energy: -85.904 flat angles P-C4'-P energy: -47.692 tors. eta vs tors. theta energy: -112.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1197.956710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.956710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.956710 (E_RNA) where: Base-Base interactions energy: -827.091 where: short stacking energy: -359.372 Base-Backbone interact. energy: 2.756 local terms energy: -373.621303 where: bonds (distance) C4'-P energy: -63.983 bonds (distance) P-C4' energy: -81.656 flat angles C4'-P-C4' energy: -83.119 flat angles P-C4'-P energy: -35.266 tors. eta vs tors. theta energy: -109.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1060.992175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.992175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.992175 (E_RNA) where: Base-Base interactions energy: -712.702 where: short stacking energy: -313.053 Base-Backbone interact. energy: -0.860 local terms energy: -347.430366 where: bonds (distance) C4'-P energy: -61.848 bonds (distance) P-C4' energy: -71.814 flat angles C4'-P-C4' energy: -81.724 flat angles P-C4'-P energy: -53.730 tors. eta vs tors. theta energy: -78.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -953.011783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.011783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.011783 (E_RNA) where: Base-Base interactions energy: -608.843 where: short stacking energy: -272.885 Base-Backbone interact. energy: 3.427 local terms energy: -347.595988 where: bonds (distance) C4'-P energy: -73.903 bonds (distance) P-C4' energy: -80.677 flat angles C4'-P-C4' energy: -73.810 flat angles P-C4'-P energy: -51.309 tors. eta vs tors. theta energy: -67.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -765.935905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.935905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.935905 (E_RNA) where: Base-Base interactions energy: -472.917 where: short stacking energy: -204.268 Base-Backbone interact. energy: -1.270 local terms energy: -291.748292 where: bonds (distance) C4'-P energy: -66.785 bonds (distance) P-C4' energy: -84.806 flat angles C4'-P-C4' energy: -78.395 flat angles P-C4'-P energy: -36.803 tors. eta vs tors. theta energy: -24.959 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: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -650.373412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.373412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.373412 (E_RNA) where: Base-Base interactions energy: -391.379 where: short stacking energy: -184.811 Base-Backbone interact. energy: 0.514 local terms energy: -259.508741 where: bonds (distance) C4'-P energy: -64.747 bonds (distance) P-C4' energy: -74.379 flat angles C4'-P-C4' energy: -66.272 flat angles P-C4'-P energy: -32.422 tors. eta vs tors. theta energy: -21.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -497.933907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.933907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.933907 (E_RNA) where: Base-Base interactions energy: -264.683 where: short stacking energy: -146.226 Base-Backbone interact. energy: 1.260 local terms energy: -234.510743 where: bonds (distance) C4'-P energy: -60.485 bonds (distance) P-C4' energy: -76.686 flat angles C4'-P-C4' energy: -57.329 flat angles P-C4'-P energy: -47.305 tors. eta vs tors. theta energy: 7.295 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: 452 Temperature: 1.350000 Total energy: -420.379372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.379372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.379372 (E_RNA) where: Base-Base interactions energy: -212.728 where: short stacking energy: -121.701 Base-Backbone interact. energy: 2.298 local terms energy: -209.950059 where: bonds (distance) C4'-P energy: -64.195 bonds (distance) P-C4' energy: -67.760 flat angles C4'-P-C4' energy: -40.857 flat angles P-C4'-P energy: -34.272 tors. eta vs tors. theta energy: -2.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1322.802273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.802273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.802273 (E_RNA) where: Base-Base interactions energy: -893.880 where: short stacking energy: -394.177 Base-Backbone interact. energy: -1.045 local terms energy: -427.877598 where: bonds (distance) C4'-P energy: -72.319 bonds (distance) P-C4' energy: -86.582 flat angles C4'-P-C4' energy: -91.389 flat angles P-C4'-P energy: -56.303 tors. eta vs tors. theta energy: -121.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1328.846755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.846755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.846755 (E_RNA) where: Base-Base interactions energy: -913.473 where: short stacking energy: -427.639 Base-Backbone interact. energy: -0.573 local terms energy: -414.801266 where: bonds (distance) C4'-P energy: -64.204 bonds (distance) P-C4' energy: -65.893 flat angles C4'-P-C4' energy: -93.366 flat angles P-C4'-P energy: -61.322 tors. eta vs tors. theta energy: -130.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1206.010839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.010839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.010839 (E_RNA) where: Base-Base interactions energy: -812.261 where: short stacking energy: -358.771 Base-Backbone interact. energy: -0.278 local terms energy: -393.472647 where: bonds (distance) C4'-P energy: -72.288 bonds (distance) P-C4' energy: -70.559 flat angles C4'-P-C4' energy: -89.738 flat angles P-C4'-P energy: -61.713 tors. eta vs tors. theta energy: -99.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1173.744881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.744881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.744881 (E_RNA) where: Base-Base interactions energy: -781.229 where: short stacking energy: -356.679 Base-Backbone interact. energy: -1.959 local terms energy: -390.556257 where: bonds (distance) C4'-P energy: -66.414 bonds (distance) P-C4' energy: -78.667 flat angles C4'-P-C4' energy: -85.840 flat angles P-C4'-P energy: -49.837 tors. eta vs tors. theta energy: -109.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1104.326865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.326865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.326865 (E_RNA) where: Base-Base interactions energy: -723.971 where: short stacking energy: -335.707 Base-Backbone interact. energy: -1.688 local terms energy: -378.668587 where: bonds (distance) C4'-P energy: -66.882 bonds (distance) P-C4' energy: -73.523 flat angles C4'-P-C4' energy: -83.830 flat angles P-C4'-P energy: -53.492 tors. eta vs tors. theta energy: -100.942 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: 2 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -939.890232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.890232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.890232 (E_RNA) where: Base-Base interactions energy: -615.506 where: short stacking energy: -288.367 Base-Backbone interact. energy: -2.487 local terms energy: -321.897206 where: bonds (distance) C4'-P energy: -70.967 bonds (distance) P-C4' energy: -74.959 flat angles C4'-P-C4' energy: -63.195 flat angles P-C4'-P energy: -46.082 tors. eta vs tors. theta energy: -66.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -794.728102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.728102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.728102 (E_RNA) where: Base-Base interactions energy: -492.263 where: short stacking energy: -237.995 Base-Backbone interact. energy: -0.736 local terms energy: -301.728330 where: bonds (distance) C4'-P energy: -65.732 bonds (distance) P-C4' energy: -77.223 flat angles C4'-P-C4' energy: -73.940 flat angles P-C4'-P energy: -42.211 tors. eta vs tors. theta energy: -42.623 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: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -641.802726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.802726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.802726 (E_RNA) where: Base-Base interactions energy: -359.799 where: short stacking energy: -190.757 Base-Backbone interact. energy: -3.259 local terms energy: -278.744459 where: bonds (distance) C4'-P energy: -62.418 bonds (distance) P-C4' energy: -79.533 flat angles C4'-P-C4' energy: -63.590 flat angles P-C4'-P energy: -41.764 tors. eta vs tors. theta energy: -31.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -574.824876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.824876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.824876 (E_RNA) where: Base-Base interactions energy: -309.796 where: short stacking energy: -175.262 Base-Backbone interact. energy: -1.714 local terms energy: -263.314894 where: bonds (distance) C4'-P energy: -75.922 bonds (distance) P-C4' energy: -64.306 flat angles C4'-P-C4' energy: -66.492 flat angles P-C4'-P energy: -36.761 tors. eta vs tors. theta energy: -19.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -417.831022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.831022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.831022 (E_RNA) where: Base-Base interactions energy: -198.871 where: short stacking energy: -116.593 Base-Backbone interact. energy: -1.670 local terms energy: -217.290613 where: bonds (distance) C4'-P energy: -61.244 bonds (distance) P-C4' energy: -53.897 flat angles C4'-P-C4' energy: -60.395 flat angles P-C4'-P energy: -38.096 tors. eta vs tors. theta energy: -3.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1348.971465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.971465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.971465 (E_RNA) where: Base-Base interactions energy: -896.640 where: short stacking energy: -407.565 Base-Backbone interact. energy: -0.184 local terms energy: -452.147446 where: bonds (distance) C4'-P energy: -86.154 bonds (distance) P-C4' energy: -86.471 flat angles C4'-P-C4' energy: -89.692 flat angles P-C4'-P energy: -63.324 tors. eta vs tors. theta energy: -126.507 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: 1 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1295.290980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.290980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.290980 (E_RNA) where: Base-Base interactions energy: -871.107 where: short stacking energy: -389.848 Base-Backbone interact. energy: 0.022 local terms energy: -424.206089 where: bonds (distance) C4'-P energy: -74.745 bonds (distance) P-C4' energy: -82.436 flat angles C4'-P-C4' energy: -93.821 flat angles P-C4'-P energy: -57.230 tors. eta vs tors. theta energy: -115.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1184.312168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.312168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.312168 (E_RNA) where: Base-Base interactions energy: -805.258 where: short stacking energy: -359.054 Base-Backbone interact. energy: -2.122 local terms energy: -376.932529 where: bonds (distance) C4'-P energy: -71.904 bonds (distance) P-C4' energy: -72.637 flat angles C4'-P-C4' energy: -81.961 flat angles P-C4'-P energy: -52.086 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: 4, replica: 4 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1202.054387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.054387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.054387 (E_RNA) where: Base-Base interactions energy: -809.700 where: short stacking energy: -379.127 Base-Backbone interact. energy: -1.639 local terms energy: -390.714981 where: bonds (distance) C4'-P energy: -70.538 bonds (distance) P-C4' energy: -67.592 flat angles C4'-P-C4' energy: -86.677 flat angles P-C4'-P energy: -51.207 tors. eta vs tors. theta energy: -114.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1099.892229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.892229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.892229 (E_RNA) where: Base-Base interactions energy: -720.375 where: short stacking energy: -331.039 Base-Backbone interact. energy: -1.577 local terms energy: -377.940057 where: bonds (distance) C4'-P energy: -78.161 bonds (distance) P-C4' energy: -67.674 flat angles C4'-P-C4' energy: -82.160 flat angles P-C4'-P energy: -59.202 tors. eta vs tors. theta energy: -90.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -936.674997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.674997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.674997 (E_RNA) where: Base-Base interactions energy: -607.160 where: short stacking energy: -273.369 Base-Backbone interact. energy: -0.769 local terms energy: -328.745263 where: bonds (distance) C4'-P energy: -66.042 bonds (distance) P-C4' energy: -66.662 flat angles C4'-P-C4' energy: -75.316 flat angles P-C4'-P energy: -46.730 tors. eta vs tors. theta energy: -73.996 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: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -774.127678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.127678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.127678 (E_RNA) where: Base-Base interactions energy: -485.086 where: short stacking energy: -244.454 Base-Backbone interact. energy: 0.105 local terms energy: -289.146395 where: bonds (distance) C4'-P energy: -67.884 bonds (distance) P-C4' energy: -64.811 flat angles C4'-P-C4' energy: -59.443 flat angles P-C4'-P energy: -47.726 tors. eta vs tors. theta energy: -49.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -676.660595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.660595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.660595 (E_RNA) where: Base-Base interactions energy: -414.016 where: short stacking energy: -199.320 Base-Backbone interact. energy: -0.551 local terms energy: -262.094415 where: bonds (distance) C4'-P energy: -67.065 bonds (distance) P-C4' energy: -63.969 flat angles C4'-P-C4' energy: -58.915 flat angles P-C4'-P energy: -42.094 tors. eta vs tors. theta energy: -30.052 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: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -537.392090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.392090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.392090 (E_RNA) where: Base-Base interactions energy: -298.093 where: short stacking energy: -142.426 Base-Backbone interact. energy: 1.664 local terms energy: -240.963860 where: bonds (distance) C4'-P energy: -71.209 bonds (distance) P-C4' energy: -70.234 flat angles C4'-P-C4' energy: -62.160 flat angles P-C4'-P energy: -26.756 tors. eta vs tors. theta energy: -10.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -423.542233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.542233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.542233 (E_RNA) where: Base-Base interactions energy: -192.898 where: short stacking energy: -106.744 Base-Backbone interact. energy: -4.099 local terms energy: -226.545279 where: bonds (distance) C4'-P energy: -58.057 bonds (distance) P-C4' energy: -66.365 flat angles C4'-P-C4' energy: -54.217 flat angles P-C4'-P energy: -38.287 tors. eta vs tors. theta energy: -9.620 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: 10 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1357.790898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.790898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.790898 (E_RNA) where: Base-Base interactions energy: -929.091 where: short stacking energy: -435.933 Base-Backbone interact. energy: -0.766 local terms energy: -427.933989 where: bonds (distance) C4'-P energy: -74.451 bonds (distance) P-C4' energy: -75.693 flat angles C4'-P-C4' energy: -91.739 flat angles P-C4'-P energy: -60.119 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: 2, replica: 1 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1276.187221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.187221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.187221 (E_RNA) where: Base-Base interactions energy: -870.597 where: short stacking energy: -372.470 Base-Backbone interact. energy: -0.776 local terms energy: -404.813576 where: bonds (distance) C4'-P energy: -72.925 bonds (distance) P-C4' energy: -83.332 flat angles C4'-P-C4' energy: -83.078 flat angles P-C4'-P energy: -59.669 tors. eta vs tors. theta energy: -105.809 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: 3, replica: 7 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1211.072722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.072722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.072722 (E_RNA) where: Base-Base interactions energy: -805.736 where: short stacking energy: -362.299 Base-Backbone interact. energy: 0.297 local terms energy: -405.634226 where: bonds (distance) C4'-P energy: -87.021 bonds (distance) P-C4' energy: -85.545 flat angles C4'-P-C4' energy: -89.843 flat angles P-C4'-P energy: -43.572 tors. eta vs tors. theta energy: -99.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1128.797668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.797668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.797668 (E_RNA) where: Base-Base interactions energy: -745.372 where: short stacking energy: -357.485 Base-Backbone interact. energy: 1.332 local terms energy: -384.756805 where: bonds (distance) C4'-P energy: -79.534 bonds (distance) P-C4' energy: -69.507 flat angles C4'-P-C4' energy: -85.324 flat angles P-C4'-P energy: -46.203 tors. eta vs tors. theta energy: -104.189 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: 9 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1081.013253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.013253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.013253 (E_RNA) where: Base-Base interactions energy: -717.491 where: short stacking energy: -311.637 Base-Backbone interact. energy: 2.939 local terms energy: -366.460889 where: bonds (distance) C4'-P energy: -82.696 bonds (distance) P-C4' energy: -65.278 flat angles C4'-P-C4' energy: -79.438 flat angles P-C4'-P energy: -35.216 tors. eta vs tors. theta energy: -103.833 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: 2 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -932.971473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.971473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.971473 (E_RNA) where: Base-Base interactions energy: -589.284 where: short stacking energy: -279.615 Base-Backbone interact. energy: -0.750 local terms energy: -342.937008 where: bonds (distance) C4'-P energy: -75.683 bonds (distance) P-C4' energy: -69.570 flat angles C4'-P-C4' energy: -71.952 flat angles P-C4'-P energy: -50.836 tors. eta vs tors. theta energy: -74.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -792.092953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.092953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.092953 (E_RNA) where: Base-Base interactions energy: -503.814 where: short stacking energy: -220.052 Base-Backbone interact. energy: -1.617 local terms energy: -286.660977 where: bonds (distance) C4'-P energy: -60.460 bonds (distance) P-C4' energy: -67.704 flat angles C4'-P-C4' energy: -74.461 flat angles P-C4'-P energy: -47.869 tors. eta vs tors. theta energy: -36.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -630.905130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.905130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.905130 (E_RNA) where: Base-Base interactions energy: -369.025 where: short stacking energy: -189.770 Base-Backbone interact. energy: 0.462 local terms energy: -262.342814 where: bonds (distance) C4'-P energy: -63.139 bonds (distance) P-C4' energy: -79.318 flat angles C4'-P-C4' energy: -52.991 flat angles P-C4'-P energy: -42.045 tors. eta vs tors. theta energy: -24.850 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: 9, replica: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -495.570055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.570055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.570055 (E_RNA) where: Base-Base interactions energy: -265.201 where: short stacking energy: -147.204 Base-Backbone interact. energy: 2.833 local terms energy: -233.202132 where: bonds (distance) C4'-P energy: -39.499 bonds (distance) P-C4' energy: -70.764 flat angles C4'-P-C4' energy: -65.357 flat angles P-C4'-P energy: -49.105 tors. eta vs tors. theta energy: -8.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -427.687708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.687708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.687708 (E_RNA) where: Base-Base interactions energy: -208.459 where: short stacking energy: -135.614 Base-Backbone interact. energy: -1.599 local terms energy: -217.630276 where: bonds (distance) C4'-P energy: -49.811 bonds (distance) P-C4' energy: -68.124 flat angles C4'-P-C4' energy: -70.253 flat angles P-C4'-P energy: -26.073 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1361.249731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.249731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.249731 (E_RNA) where: Base-Base interactions energy: -916.753 where: short stacking energy: -408.148 Base-Backbone interact. energy: -0.605 local terms energy: -443.891519 where: bonds (distance) C4'-P energy: -84.823 bonds (distance) P-C4' energy: -77.158 flat angles C4'-P-C4' energy: -98.451 flat angles P-C4'-P energy: -60.337 tors. eta vs tors. theta energy: -123.122 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: 1 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1263.199590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.199590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.199590 (E_RNA) where: Base-Base interactions energy: -854.585 where: short stacking energy: -377.077 Base-Backbone interact. energy: -1.585 local terms energy: -407.029659 where: bonds (distance) C4'-P energy: -74.586 bonds (distance) P-C4' energy: -88.122 flat angles C4'-P-C4' energy: -77.807 flat angles P-C4'-P energy: -52.751 tors. eta vs tors. theta energy: -113.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1209.952372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.952372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.952372 (E_RNA) where: Base-Base interactions energy: -799.112 where: short stacking energy: -354.938 Base-Backbone interact. energy: 1.055 local terms energy: -411.895036 where: bonds (distance) C4'-P energy: -74.023 bonds (distance) P-C4' energy: -88.325 flat angles C4'-P-C4' energy: -84.400 flat angles P-C4'-P energy: -63.906 tors. eta vs tors. theta energy: -101.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1145.787745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.787745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.787745 (E_RNA) where: Base-Base interactions energy: -752.476 where: short stacking energy: -353.432 Base-Backbone interact. energy: 0.997 local terms energy: -394.309321 where: bonds (distance) C4'-P energy: -73.997 bonds (distance) P-C4' energy: -75.462 flat angles C4'-P-C4' energy: -83.598 flat angles P-C4'-P energy: -48.032 tors. eta vs tors. theta energy: -113.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1056.222869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.222869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.222869 (E_RNA) where: Base-Base interactions energy: -714.361 where: short stacking energy: -317.909 Base-Backbone interact. energy: -2.705 local terms energy: -339.156880 where: bonds (distance) C4'-P energy: -67.491 bonds (distance) P-C4' energy: -76.236 flat angles C4'-P-C4' energy: -82.451 flat angles P-C4'-P energy: -37.245 tors. eta vs tors. theta energy: -75.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -929.405410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.405410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.405410 (E_RNA) where: Base-Base interactions energy: -607.703 where: short stacking energy: -272.363 Base-Backbone interact. energy: -1.168 local terms energy: -320.534283 where: bonds (distance) C4'-P energy: -65.977 bonds (distance) P-C4' energy: -71.741 flat angles C4'-P-C4' energy: -74.387 flat angles P-C4'-P energy: -40.770 tors. eta vs tors. theta energy: -67.659 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: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -833.281650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.281650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.281650 (E_RNA) where: Base-Base interactions energy: -527.839 where: short stacking energy: -247.945 Base-Backbone interact. energy: 3.081 local terms energy: -308.524291 where: bonds (distance) C4'-P energy: -63.594 bonds (distance) P-C4' energy: -65.517 flat angles C4'-P-C4' energy: -78.843 flat angles P-C4'-P energy: -47.589 tors. eta vs tors. theta energy: -52.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -643.650593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.650593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.650593 (E_RNA) where: Base-Base interactions energy: -362.863 where: short stacking energy: -201.695 Base-Backbone interact. energy: -1.458 local terms energy: -279.329685 where: bonds (distance) C4'-P energy: -72.336 bonds (distance) P-C4' energy: -58.940 flat angles C4'-P-C4' energy: -66.685 flat angles P-C4'-P energy: -43.429 tors. eta vs tors. theta energy: -37.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -571.082024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.082024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.082024 (E_RNA) where: Base-Base interactions energy: -312.500 where: short stacking energy: -164.977 Base-Backbone interact. energy: 0.377 local terms energy: -258.958737 where: bonds (distance) C4'-P energy: -58.656 bonds (distance) P-C4' energy: -57.807 flat angles C4'-P-C4' energy: -67.684 flat angles P-C4'-P energy: -51.717 tors. eta vs tors. theta energy: -23.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -407.878572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.878572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.878572 (E_RNA) where: Base-Base interactions energy: -195.482 where: short stacking energy: -110.925 Base-Backbone interact. energy: 1.664 local terms energy: -214.061380 where: bonds (distance) C4'-P energy: -55.512 bonds (distance) P-C4' energy: -69.965 flat angles C4'-P-C4' energy: -48.149 flat angles P-C4'-P energy: -49.258 tors. eta vs tors. theta energy: 8.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1368.165601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.165601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.165601 (E_RNA) where: Base-Base interactions energy: -916.281 where: short stacking energy: -412.695 Base-Backbone interact. energy: -2.049 local terms energy: -449.834683 where: bonds (distance) C4'-P energy: -81.983 bonds (distance) P-C4' energy: -74.484 flat angles C4'-P-C4' energy: -99.253 flat angles P-C4'-P energy: -64.959 tors. eta vs tors. theta energy: -129.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1278.894301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.894301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.894301 (E_RNA) where: Base-Base interactions energy: -878.285 where: short stacking energy: -385.223 Base-Backbone interact. energy: -0.949 local terms energy: -399.660272 where: bonds (distance) C4'-P energy: -70.559 bonds (distance) P-C4' energy: -82.791 flat angles C4'-P-C4' energy: -82.952 flat angles P-C4'-P energy: -56.097 tors. eta vs tors. theta energy: -107.261 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: 7 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1205.154882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.154882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.154882 (E_RNA) where: Base-Base interactions energy: -785.612 where: short stacking energy: -359.119 Base-Backbone interact. energy: -0.549 local terms energy: -418.993894 where: bonds (distance) C4'-P energy: -85.537 bonds (distance) P-C4' energy: -75.525 flat angles C4'-P-C4' energy: -89.715 flat angles P-C4'-P energy: -65.414 tors. eta vs tors. theta energy: -102.803 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: 4 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1140.248296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.248296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.248296 (E_RNA) where: Base-Base interactions energy: -768.797 where: short stacking energy: -350.843 Base-Backbone interact. energy: -1.627 local terms energy: -369.824765 where: bonds (distance) C4'-P energy: -70.886 bonds (distance) P-C4' energy: -70.070 flat angles C4'-P-C4' energy: -78.152 flat angles P-C4'-P energy: -49.024 tors. eta vs tors. theta energy: -101.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1070.634727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.634727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.634727 (E_RNA) where: Base-Base interactions energy: -699.263 where: short stacking energy: -322.295 Base-Backbone interact. energy: -1.095 local terms energy: -370.275891 where: bonds (distance) C4'-P energy: -71.244 bonds (distance) P-C4' energy: -74.604 flat angles C4'-P-C4' energy: -76.697 flat angles P-C4'-P energy: -52.997 tors. eta vs tors. theta energy: -94.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -943.285521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.285521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.285521 (E_RNA) where: Base-Base interactions energy: -613.888 where: short stacking energy: -287.162 Base-Backbone interact. energy: -1.185 local terms energy: -328.212910 where: bonds (distance) C4'-P energy: -70.118 bonds (distance) P-C4' energy: -67.857 flat angles C4'-P-C4' energy: -86.257 flat angles P-C4'-P energy: -40.855 tors. eta vs tors. theta energy: -63.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -793.847183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.847183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.847183 (E_RNA) where: Base-Base interactions energy: -508.987 where: short stacking energy: -245.643 Base-Backbone interact. energy: 4.491 local terms energy: -289.351096 where: bonds (distance) C4'-P energy: -53.469 bonds (distance) P-C4' energy: -73.156 flat angles C4'-P-C4' energy: -59.885 flat angles P-C4'-P energy: -48.867 tors. eta vs tors. theta energy: -53.974 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: 6 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -632.570061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.570061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.570061 (E_RNA) where: Base-Base interactions energy: -374.149 where: short stacking energy: -202.303 Base-Backbone interact. energy: 1.191 local terms energy: -259.611293 where: bonds (distance) C4'-P energy: -61.902 bonds (distance) P-C4' energy: -64.987 flat angles C4'-P-C4' energy: -49.396 flat angles P-C4'-P energy: -50.064 tors. eta vs tors. theta energy: -33.263 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: 3 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -508.690202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.690202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.690202 (E_RNA) where: Base-Base interactions energy: -280.663 where: short stacking energy: -153.590 Base-Backbone interact. energy: -0.131 local terms energy: -227.895747 where: bonds (distance) C4'-P energy: -61.135 bonds (distance) P-C4' energy: -62.975 flat angles C4'-P-C4' energy: -69.619 flat angles P-C4'-P energy: -30.755 tors. eta vs tors. theta energy: -3.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -430.322019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.322019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.322019 (E_RNA) where: Base-Base interactions energy: -181.046 where: short stacking energy: -116.577 Base-Backbone interact. energy: 0.036 local terms energy: -249.312191 where: bonds (distance) C4'-P energy: -70.920 bonds (distance) P-C4' energy: -72.726 flat angles C4'-P-C4' energy: -69.713 flat angles P-C4'-P energy: -33.402 tors. eta vs tors. theta energy: -2.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1385.530272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.530272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.530272 (E_RNA) where: Base-Base interactions energy: -930.225 where: short stacking energy: -417.838 Base-Backbone interact. energy: -2.505 local terms energy: -452.799408 where: bonds (distance) C4'-P energy: -81.558 bonds (distance) P-C4' energy: -87.407 flat angles C4'-P-C4' energy: -89.779 flat angles P-C4'-P energy: -65.543 tors. eta vs tors. theta energy: -128.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1284.773333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.773333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.773333 (E_RNA) where: Base-Base interactions energy: -862.606 where: short stacking energy: -374.025 Base-Backbone interact. energy: -1.053 local terms energy: -421.113651 where: bonds (distance) C4'-P energy: -79.504 bonds (distance) P-C4' energy: -75.838 flat angles C4'-P-C4' energy: -96.430 flat angles P-C4'-P energy: -55.664 tors. eta vs tors. theta energy: -113.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1187.363150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.363150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.363150 (E_RNA) where: Base-Base interactions energy: -794.544 where: short stacking energy: -349.365 Base-Backbone interact. energy: -0.531 local terms energy: -392.287694 where: bonds (distance) C4'-P energy: -74.537 bonds (distance) P-C4' energy: -84.002 flat angles C4'-P-C4' energy: -86.717 flat angles P-C4'-P energy: -54.552 tors. eta vs tors. theta energy: -92.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1134.100590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.100590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.100590 (E_RNA) where: Base-Base interactions energy: -755.420 where: short stacking energy: -370.689 Base-Backbone interact. energy: -2.332 local terms energy: -376.348207 where: bonds (distance) C4'-P energy: -65.145 bonds (distance) P-C4' energy: -75.637 flat angles C4'-P-C4' energy: -78.801 flat angles P-C4'-P energy: -50.068 tors. eta vs tors. theta energy: -106.697 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: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1099.342871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.342871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.342871 (E_RNA) where: Base-Base interactions energy: -748.836 where: short stacking energy: -336.942 Base-Backbone interact. energy: 2.141 local terms energy: -352.647228 where: bonds (distance) C4'-P energy: -55.593 bonds (distance) P-C4' energy: -67.415 flat angles C4'-P-C4' energy: -77.492 flat angles P-C4'-P energy: -52.350 tors. eta vs tors. theta energy: -99.797 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: 2 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -918.858555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.858555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.858555 (E_RNA) where: Base-Base interactions energy: -563.414 where: short stacking energy: -286.847 Base-Backbone interact. energy: -1.123 local terms energy: -354.321249 where: bonds (distance) C4'-P energy: -72.367 bonds (distance) P-C4' energy: -76.976 flat angles C4'-P-C4' energy: -88.834 flat angles P-C4'-P energy: -48.186 tors. eta vs tors. theta energy: -67.959 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: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -798.433277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.433277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.433277 (E_RNA) where: Base-Base interactions energy: -498.144 where: short stacking energy: -232.737 Base-Backbone interact. energy: -2.124 local terms energy: -298.164499 where: bonds (distance) C4'-P energy: -65.543 bonds (distance) P-C4' energy: -70.331 flat angles C4'-P-C4' energy: -71.918 flat angles P-C4'-P energy: -49.906 tors. eta vs tors. theta energy: -40.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -661.526991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.526991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.526991 (E_RNA) where: Base-Base interactions energy: -392.183 where: short stacking energy: -219.853 Base-Backbone interact. energy: 0.164 local terms energy: -269.507290 where: bonds (distance) C4'-P energy: -54.839 bonds (distance) P-C4' energy: -58.623 flat angles C4'-P-C4' energy: -72.655 flat angles P-C4'-P energy: -44.249 tors. eta vs tors. theta energy: -39.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -532.027954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.027954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.027954 (E_RNA) where: Base-Base interactions energy: -291.027 where: short stacking energy: -154.341 Base-Backbone interact. energy: -1.430 local terms energy: -239.571605 where: bonds (distance) C4'-P energy: -55.253 bonds (distance) P-C4' energy: -66.497 flat angles C4'-P-C4' energy: -64.481 flat angles P-C4'-P energy: -31.426 tors. eta vs tors. theta energy: -21.915 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: 8 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -408.114797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.114797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.114797 (E_RNA) where: Base-Base interactions energy: -208.320 where: short stacking energy: -125.022 Base-Backbone interact. energy: 1.764 local terms energy: -201.558130 where: bonds (distance) C4'-P energy: -70.255 bonds (distance) P-C4' energy: -71.535 flat angles C4'-P-C4' energy: -56.712 flat angles P-C4'-P energy: -15.230 tors. eta vs tors. theta energy: 12.173 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: 10 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1369.267928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.267928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.267928 (E_RNA) where: Base-Base interactions energy: -936.087 where: short stacking energy: -428.705 Base-Backbone interact. energy: 0.267 local terms energy: -433.447688 where: bonds (distance) C4'-P energy: -62.352 bonds (distance) P-C4' energy: -90.336 flat angles C4'-P-C4' energy: -87.570 flat angles P-C4'-P energy: -64.657 tors. eta vs tors. theta energy: -128.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1284.376544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.376544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.376544 (E_RNA) where: Base-Base interactions energy: -868.602 where: short stacking energy: -373.625 Base-Backbone interact. energy: -1.147 local terms energy: -414.627992 where: bonds (distance) C4'-P energy: -73.071 bonds (distance) P-C4' energy: -89.895 flat angles C4'-P-C4' energy: -84.148 flat angles P-C4'-P energy: -62.006 tors. eta vs tors. theta energy: -105.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1178.393617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.393617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.393617 (E_RNA) where: Base-Base interactions energy: -797.827 where: short stacking energy: -354.028 Base-Backbone interact. energy: -0.560 local terms energy: -380.006620 where: bonds (distance) C4'-P energy: -71.919 bonds (distance) P-C4' energy: -79.165 flat angles C4'-P-C4' energy: -84.695 flat angles P-C4'-P energy: -51.348 tors. eta vs tors. theta energy: -92.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1127.433668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.433668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.433668 (E_RNA) where: Base-Base interactions energy: -733.730 where: short stacking energy: -349.281 Base-Backbone interact. energy: 3.010 local terms energy: -396.714111 where: bonds (distance) C4'-P energy: -71.201 bonds (distance) P-C4' energy: -76.573 flat angles C4'-P-C4' energy: -82.969 flat angles P-C4'-P energy: -53.470 tors. eta vs tors. theta energy: -112.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1080.815382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.815382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.815382 (E_RNA) where: Base-Base interactions energy: -705.079 where: short stacking energy: -321.594 Base-Backbone interact. energy: -0.118 local terms energy: -375.617780 where: bonds (distance) C4'-P energy: -66.260 bonds (distance) P-C4' energy: -72.564 flat angles C4'-P-C4' energy: -83.777 flat angles P-C4'-P energy: -60.037 tors. eta vs tors. theta energy: -92.980 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: 2 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -961.017680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.017680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.017680 (E_RNA) where: Base-Base interactions energy: -612.535 where: short stacking energy: -295.470 Base-Backbone interact. energy: -1.781 local terms energy: -346.701252 where: bonds (distance) C4'-P energy: -72.721 bonds (distance) P-C4' energy: -68.231 flat angles C4'-P-C4' energy: -78.732 flat angles P-C4'-P energy: -48.505 tors. eta vs tors. theta energy: -78.512 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: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -789.440239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.440239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.440239 (E_RNA) where: Base-Base interactions energy: -513.711 where: short stacking energy: -233.331 Base-Backbone interact. energy: 5.558 local terms energy: -281.287379 where: bonds (distance) C4'-P energy: -69.961 bonds (distance) P-C4' energy: -63.167 flat angles C4'-P-C4' energy: -65.768 flat angles P-C4'-P energy: -29.797 tors. eta vs tors. theta energy: -52.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -649.736256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.736256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.736256 (E_RNA) where: Base-Base interactions energy: -352.465 where: short stacking energy: -201.267 Base-Backbone interact. energy: -0.048 local terms energy: -297.222934 where: bonds (distance) C4'-P energy: -78.717 bonds (distance) P-C4' energy: -73.465 flat angles C4'-P-C4' energy: -69.090 flat angles P-C4'-P energy: -44.976 tors. eta vs tors. theta energy: -30.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -545.972419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.972419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.972419 (E_RNA) where: Base-Base interactions energy: -308.518 where: short stacking energy: -153.364 Base-Backbone interact. energy: 0.048 local terms energy: -237.501874 where: bonds (distance) C4'-P energy: -52.496 bonds (distance) P-C4' energy: -78.198 flat angles C4'-P-C4' energy: -73.226 flat angles P-C4'-P energy: -26.910 tors. eta vs tors. theta energy: -6.671 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: 459 Temperature: 1.350000 Total energy: -428.485559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.485559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.485559 (E_RNA) where: Base-Base interactions energy: -193.478 where: short stacking energy: -102.109 Base-Backbone interact. energy: 6.434 local terms energy: -241.441818 where: bonds (distance) C4'-P energy: -62.637 bonds (distance) P-C4' energy: -64.114 flat angles C4'-P-C4' energy: -71.584 flat angles P-C4'-P energy: -38.512 tors. eta vs tors. theta energy: -4.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1361.018870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.018870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.018870 (E_RNA) where: Base-Base interactions energy: -921.627 where: short stacking energy: -426.810 Base-Backbone interact. energy: -1.574 local terms energy: -437.817014 where: bonds (distance) C4'-P energy: -84.826 bonds (distance) P-C4' energy: -88.772 flat angles C4'-P-C4' energy: -83.289 flat angles P-C4'-P energy: -55.576 tors. eta vs tors. theta energy: -125.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1267.498749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.498749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.498749 (E_RNA) where: Base-Base interactions energy: -862.522 where: short stacking energy: -379.551 Base-Backbone interact. energy: -1.481 local terms energy: -403.495261 where: bonds (distance) C4'-P energy: -72.529 bonds (distance) P-C4' energy: -78.398 flat angles C4'-P-C4' energy: -85.404 flat angles P-C4'-P energy: -66.500 tors. eta vs tors. theta energy: -100.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1207.302951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.302951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.302951 (E_RNA) where: Base-Base interactions energy: -818.975 where: short stacking energy: -366.843 Base-Backbone interact. energy: -0.331 local terms energy: -387.997193 where: bonds (distance) C4'-P energy: -69.284 bonds (distance) P-C4' energy: -80.885 flat angles C4'-P-C4' energy: -86.997 flat angles P-C4'-P energy: -58.410 tors. eta vs tors. theta energy: -92.422 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: 4 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1136.304978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.304978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.304978 (E_RNA) where: Base-Base interactions energy: -767.392 where: short stacking energy: -357.915 Base-Backbone interact. energy: -0.530 local terms energy: -368.382967 where: bonds (distance) C4'-P energy: -74.339 bonds (distance) P-C4' energy: -51.173 flat angles C4'-P-C4' energy: -79.543 flat angles P-C4'-P energy: -65.838 tors. eta vs tors. theta energy: -97.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1063.842306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.842306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.842306 (E_RNA) where: Base-Base interactions energy: -702.547 where: short stacking energy: -324.910 Base-Backbone interact. energy: 2.057 local terms energy: -363.351772 where: bonds (distance) C4'-P energy: -58.396 bonds (distance) P-C4' energy: -80.254 flat angles C4'-P-C4' energy: -79.338 flat angles P-C4'-P energy: -53.565 tors. eta vs tors. theta energy: -91.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -965.944870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.944870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.944870 (E_RNA) where: Base-Base interactions energy: -617.283 where: short stacking energy: -286.576 Base-Backbone interact. energy: -1.584 local terms energy: -347.078006 where: bonds (distance) C4'-P energy: -77.971 bonds (distance) P-C4' energy: -79.143 flat angles C4'-P-C4' energy: -75.767 flat angles P-C4'-P energy: -46.791 tors. eta vs tors. theta energy: -67.406 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: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -769.136625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.136625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.136625 (E_RNA) where: Base-Base interactions energy: -469.209 where: short stacking energy: -214.625 Base-Backbone interact. energy: 4.305 local terms energy: -304.233397 where: bonds (distance) C4'-P energy: -67.208 bonds (distance) P-C4' energy: -64.261 flat angles C4'-P-C4' energy: -74.888 flat angles P-C4'-P energy: -53.228 tors. eta vs tors. theta energy: -44.649 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: 8, replica: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -654.148169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.148169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.148169 (E_RNA) where: Base-Base interactions energy: -379.098 where: short stacking energy: -206.632 Base-Backbone interact. energy: 2.663 local terms energy: -277.713051 where: bonds (distance) C4'-P energy: -62.260 bonds (distance) P-C4' energy: -70.016 flat angles C4'-P-C4' energy: -68.899 flat angles P-C4'-P energy: -39.778 tors. eta vs tors. theta energy: -36.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -521.414420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.414420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.414420 (E_RNA) where: Base-Base interactions energy: -272.319 where: short stacking energy: -148.626 Base-Backbone interact. energy: -1.136 local terms energy: -247.959489 where: bonds (distance) C4'-P energy: -64.511 bonds (distance) P-C4' energy: -75.520 flat angles C4'-P-C4' energy: -63.413 flat angles P-C4'-P energy: -32.676 tors. eta vs tors. theta energy: -11.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -424.700952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.700952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.700952 (E_RNA) where: Base-Base interactions energy: -217.583 where: short stacking energy: -122.931 Base-Backbone interact. energy: -0.091 local terms energy: -207.026712 where: bonds (distance) C4'-P energy: -68.963 bonds (distance) P-C4' energy: -64.612 flat angles C4'-P-C4' energy: -51.161 flat angles P-C4'-P energy: -27.051 tors. eta vs tors. theta energy: 4.761 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: 10 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1364.299921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.299921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.299921 (E_RNA) where: Base-Base interactions energy: -930.103 where: short stacking energy: -422.955 Base-Backbone interact. energy: -1.489 local terms energy: -432.708268 where: bonds (distance) C4'-P energy: -64.510 bonds (distance) P-C4' energy: -78.343 flat angles C4'-P-C4' energy: -93.092 flat angles P-C4'-P energy: -68.968 tors. eta vs tors. theta energy: -127.795 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: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1263.845293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.845293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.845293 (E_RNA) where: Base-Base interactions energy: -864.500 where: short stacking energy: -369.123 Base-Backbone interact. energy: -2.972 local terms energy: -396.372713 where: bonds (distance) C4'-P energy: -72.392 bonds (distance) P-C4' energy: -67.786 flat angles C4'-P-C4' energy: -92.071 flat angles P-C4'-P energy: -62.682 tors. eta vs tors. theta energy: -101.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1217.274198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.274198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.274198 (E_RNA) where: Base-Base interactions energy: -832.469 where: short stacking energy: -360.947 Base-Backbone interact. energy: -2.063 local terms energy: -382.742255 where: bonds (distance) C4'-P energy: -76.450 bonds (distance) P-C4' energy: -79.831 flat angles C4'-P-C4' energy: -78.282 flat angles P-C4'-P energy: -46.887 tors. eta vs tors. theta energy: -101.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1144.410685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.410685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.410685 (E_RNA) where: Base-Base interactions energy: -751.759 where: short stacking energy: -353.919 Base-Backbone interact. energy: -1.110 local terms energy: -391.541674 where: bonds (distance) C4'-P energy: -74.369 bonds (distance) P-C4' energy: -74.474 flat angles C4'-P-C4' energy: -79.949 flat angles P-C4'-P energy: -53.330 tors. eta vs tors. theta energy: -109.421 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: 9 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1068.327371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.327371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.327371 (E_RNA) where: Base-Base interactions energy: -704.729 where: short stacking energy: -312.728 Base-Backbone interact. energy: -2.005 local terms energy: -361.593340 where: bonds (distance) C4'-P energy: -60.368 bonds (distance) P-C4' energy: -78.302 flat angles C4'-P-C4' energy: -86.781 flat angles P-C4'-P energy: -48.764 tors. eta vs tors. theta energy: -87.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -982.493312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.493312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.493312 (E_RNA) where: Base-Base interactions energy: -650.553 where: short stacking energy: -285.924 Base-Backbone interact. energy: 0.063 local terms energy: -332.003426 where: bonds (distance) C4'-P energy: -56.016 bonds (distance) P-C4' energy: -71.392 flat angles C4'-P-C4' energy: -77.313 flat angles P-C4'-P energy: -52.518 tors. eta vs tors. theta energy: -74.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -816.563949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.563949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.563949 (E_RNA) where: Base-Base interactions energy: -498.150 where: short stacking energy: -241.504 Base-Backbone interact. energy: -0.581 local terms energy: -317.832703 where: bonds (distance) C4'-P energy: -65.719 bonds (distance) P-C4' energy: -65.469 flat angles C4'-P-C4' energy: -82.366 flat angles P-C4'-P energy: -52.754 tors. eta vs tors. theta energy: -51.524 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: 6 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -667.672921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.672921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.672921 (E_RNA) where: Base-Base interactions energy: -382.794 where: short stacking energy: -215.135 Base-Backbone interact. energy: -0.936 local terms energy: -283.942546 where: bonds (distance) C4'-P energy: -66.992 bonds (distance) P-C4' energy: -76.490 flat angles C4'-P-C4' energy: -56.210 flat angles P-C4'-P energy: -40.530 tors. eta vs tors. theta energy: -43.720 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: 3 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -539.783620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.783620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.783620 (E_RNA) where: Base-Base interactions energy: -295.422 where: short stacking energy: -164.132 Base-Backbone interact. energy: -1.733 local terms energy: -242.628833 where: bonds (distance) C4'-P energy: -58.473 bonds (distance) P-C4' energy: -68.957 flat angles C4'-P-C4' energy: -70.451 flat angles P-C4'-P energy: -33.219 tors. eta vs tors. theta energy: -11.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -436.305254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.305254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.305254 (E_RNA) where: Base-Base interactions energy: -221.418 where: short stacking energy: -126.905 Base-Backbone interact. energy: 1.949 local terms energy: -216.836191 where: bonds (distance) C4'-P energy: -69.937 bonds (distance) P-C4' energy: -60.175 flat angles C4'-P-C4' energy: -61.232 flat angles P-C4'-P energy: -26.240 tors. eta vs tors. theta energy: 0.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1381.413476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.413476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.413476 (E_RNA) where: Base-Base interactions energy: -956.547 where: short stacking energy: -428.457 Base-Backbone interact. energy: -1.214 local terms energy: -423.652621 where: bonds (distance) C4'-P energy: -76.435 bonds (distance) P-C4' energy: -71.914 flat angles C4'-P-C4' energy: -87.605 flat angles P-C4'-P energy: -64.090 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: 2, replica: 1 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1262.328489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.328489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.328489 (E_RNA) where: Base-Base interactions energy: -858.729 where: short stacking energy: -369.310 Base-Backbone interact. energy: -0.846 local terms energy: -402.753734 where: bonds (distance) C4'-P energy: -74.773 bonds (distance) P-C4' energy: -74.994 flat angles C4'-P-C4' energy: -89.767 flat angles P-C4'-P energy: -63.588 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: 3, replica: 7 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1198.727027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.727027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.727027 (E_RNA) where: Base-Base interactions energy: -806.068 where: short stacking energy: -348.921 Base-Backbone interact. energy: -2.173 local terms energy: -390.486254 where: bonds (distance) C4'-P energy: -82.253 bonds (distance) P-C4' energy: -69.386 flat angles C4'-P-C4' energy: -88.615 flat angles P-C4'-P energy: -57.315 tors. eta vs tors. theta energy: -92.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1113.576545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.576545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.576545 (E_RNA) where: Base-Base interactions energy: -728.112 where: short stacking energy: -348.645 Base-Backbone interact. energy: -0.470 local terms energy: -384.994515 where: bonds (distance) C4'-P energy: -71.823 bonds (distance) P-C4' energy: -81.862 flat angles C4'-P-C4' energy: -83.254 flat angles P-C4'-P energy: -50.324 tors. eta vs tors. theta energy: -97.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -965.432023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.432023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.432023 (E_RNA) where: Base-Base interactions energy: -612.668 where: short stacking energy: -287.302 Base-Backbone interact. energy: 0.067 local terms energy: -352.830382 where: bonds (distance) C4'-P energy: -71.684 bonds (distance) P-C4' energy: -79.642 flat angles C4'-P-C4' energy: -72.104 flat angles P-C4'-P energy: -46.659 tors. eta vs tors. theta energy: -82.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1044.419796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.419796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.419796 (E_RNA) where: Base-Base interactions energy: -682.438 where: short stacking energy: -291.333 Base-Backbone interact. energy: -1.533 local terms energy: -360.449126 where: bonds (distance) C4'-P energy: -65.858 bonds (distance) P-C4' energy: -67.136 flat angles C4'-P-C4' energy: -80.751 flat angles P-C4'-P energy: -57.718 tors. eta vs tors. theta energy: -88.986 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: 7, replica: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -842.066111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.066111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.066111 (E_RNA) where: Base-Base interactions energy: -540.670 where: short stacking energy: -269.666 Base-Backbone interact. energy: -0.048 local terms energy: -301.347480 where: bonds (distance) C4'-P energy: -58.387 bonds (distance) P-C4' energy: -51.961 flat angles C4'-P-C4' energy: -76.992 flat angles P-C4'-P energy: -52.631 tors. eta vs tors. theta energy: -61.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -633.477753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.477753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.477753 (E_RNA) where: Base-Base interactions energy: -371.319 where: short stacking energy: -185.176 Base-Backbone interact. energy: 2.917 local terms energy: -265.075503 where: bonds (distance) C4'-P energy: -74.549 bonds (distance) P-C4' energy: -70.804 flat angles C4'-P-C4' energy: -61.712 flat angles P-C4'-P energy: -39.869 tors. eta vs tors. theta energy: -18.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -452.190215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.190215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.190215 (E_RNA) where: Base-Base interactions energy: -237.985 where: short stacking energy: -133.871 Base-Backbone interact. energy: -0.619 local terms energy: -213.586764 where: bonds (distance) C4'-P energy: -50.186 bonds (distance) P-C4' energy: -77.473 flat angles C4'-P-C4' energy: -57.090 flat angles P-C4'-P energy: -37.781 tors. eta vs tors. theta energy: 8.944 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: 10, replica: 3 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -410.599050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.599050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.599050 (E_RNA) where: Base-Base interactions energy: -207.454 where: short stacking energy: -110.110 Base-Backbone interact. energy: -0.472 local terms energy: -202.672666 where: bonds (distance) C4'-P energy: -53.208 bonds (distance) P-C4' energy: -53.222 flat angles C4'-P-C4' energy: -54.667 flat angles P-C4'-P energy: -36.567 tors. eta vs tors. theta energy: -5.009 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: 10 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1371.383378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.383378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.383378 (E_RNA) where: Base-Base interactions energy: -934.684 where: short stacking energy: -400.425 Base-Backbone interact. energy: -1.039 local terms energy: -435.660130 where: bonds (distance) C4'-P energy: -71.986 bonds (distance) P-C4' energy: -77.796 flat angles C4'-P-C4' energy: -90.230 flat angles P-C4'-P energy: -68.784 tors. eta vs tors. theta energy: -126.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1277.506997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.506997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.506997 (E_RNA) where: Base-Base interactions energy: -859.291 where: short stacking energy: -372.706 Base-Backbone interact. energy: -2.034 local terms energy: -416.182413 where: bonds (distance) C4'-P energy: -81.604 bonds (distance) P-C4' energy: -73.770 flat angles C4'-P-C4' energy: -87.088 flat angles P-C4'-P energy: -59.457 tors. eta vs tors. theta energy: -114.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1200.067599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.067599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.067599 (E_RNA) where: Base-Base interactions energy: -799.694 where: short stacking energy: -338.226 Base-Backbone interact. energy: -0.061 local terms energy: -400.312694 where: bonds (distance) C4'-P energy: -74.985 bonds (distance) P-C4' energy: -81.089 flat angles C4'-P-C4' energy: -86.682 flat angles P-C4'-P energy: -58.843 tors. eta vs tors. theta energy: -98.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1118.142043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.142043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.142043 (E_RNA) where: Base-Base interactions energy: -736.974 where: short stacking energy: -339.972 Base-Backbone interact. energy: -0.504 local terms energy: -380.663660 where: bonds (distance) C4'-P energy: -72.685 bonds (distance) P-C4' energy: -81.481 flat angles C4'-P-C4' energy: -71.719 flat angles P-C4'-P energy: -54.516 tors. eta vs tors. theta energy: -100.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -972.513610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.513610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.513610 (E_RNA) where: Base-Base interactions energy: -616.319 where: short stacking energy: -283.828 Base-Backbone interact. energy: 2.068 local terms energy: -358.262942 where: bonds (distance) C4'-P energy: -78.607 bonds (distance) P-C4' energy: -72.511 flat angles C4'-P-C4' energy: -74.502 flat angles P-C4'-P energy: -55.883 tors. eta vs tors. theta energy: -76.760 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: 9 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1010.587565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.587565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.587565 (E_RNA) where: Base-Base interactions energy: -676.076 where: short stacking energy: -305.204 Base-Backbone interact. energy: 4.289 local terms energy: -338.800906 where: bonds (distance) C4'-P energy: -65.014 bonds (distance) P-C4' energy: -78.822 flat angles C4'-P-C4' energy: -79.576 flat angles P-C4'-P energy: -46.491 tors. eta vs tors. theta energy: -68.898 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: 7, replica: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -837.058227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.058227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.058227 (E_RNA) where: Base-Base interactions energy: -520.883 where: short stacking energy: -244.468 Base-Backbone interact. energy: -1.110 local terms energy: -315.065715 where: bonds (distance) C4'-P energy: -74.854 bonds (distance) P-C4' energy: -63.740 flat angles C4'-P-C4' energy: -75.939 flat angles P-C4'-P energy: -37.198 tors. eta vs tors. theta energy: -63.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -637.234426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.234426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.234426 (E_RNA) where: Base-Base interactions energy: -357.099 where: short stacking energy: -176.324 Base-Backbone interact. energy: -0.158 local terms energy: -279.976609 where: bonds (distance) C4'-P energy: -60.151 bonds (distance) P-C4' energy: -80.766 flat angles C4'-P-C4' energy: -69.810 flat angles P-C4'-P energy: -36.841 tors. eta vs tors. theta energy: -32.408 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: 8 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -446.956405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.956405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.956405 (E_RNA) where: Base-Base interactions energy: -232.791 where: short stacking energy: -132.005 Base-Backbone interact. energy: 1.019 local terms energy: -215.184255 where: bonds (distance) C4'-P energy: -65.932 bonds (distance) P-C4' energy: -58.910 flat angles C4'-P-C4' energy: -62.373 flat angles P-C4'-P energy: -35.779 tors. eta vs tors. theta energy: 7.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -482.316976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.316976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.316976 (E_RNA) where: Base-Base interactions energy: -254.251 where: short stacking energy: -145.248 Base-Backbone interact. energy: 1.049 local terms energy: -229.114968 where: bonds (distance) C4'-P energy: -54.072 bonds (distance) P-C4' energy: -74.495 flat angles C4'-P-C4' energy: -55.174 flat angles P-C4'-P energy: -25.968 tors. eta vs tors. theta energy: -19.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1364.423369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.423369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.423369 (E_RNA) where: Base-Base interactions energy: -953.452 where: short stacking energy: -421.348 Base-Backbone interact. energy: -0.153 local terms energy: -410.818107 where: bonds (distance) C4'-P energy: -72.341 bonds (distance) P-C4' energy: -82.550 flat angles C4'-P-C4' energy: -80.123 flat angles P-C4'-P energy: -55.431 tors. eta vs tors. theta energy: -120.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1297.909323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.909323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.909323 (E_RNA) where: Base-Base interactions energy: -887.479 where: short stacking energy: -400.052 Base-Backbone interact. energy: -2.035 local terms energy: -408.395641 where: bonds (distance) C4'-P energy: -72.795 bonds (distance) P-C4' energy: -69.984 flat angles C4'-P-C4' energy: -89.016 flat angles P-C4'-P energy: -55.082 tors. eta vs tors. theta energy: -121.519 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: 7 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1179.387692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.387692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.387692 (E_RNA) where: Base-Base interactions energy: -785.093 where: short stacking energy: -345.927 Base-Backbone interact. energy: -1.240 local terms energy: -393.055051 where: bonds (distance) C4'-P energy: -63.743 bonds (distance) P-C4' energy: -87.372 flat angles C4'-P-C4' energy: -85.803 flat angles P-C4'-P energy: -64.391 tors. eta vs tors. theta energy: -91.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1088.478796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.478796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.478796 (E_RNA) where: Base-Base interactions energy: -716.501 where: short stacking energy: -333.462 Base-Backbone interact. energy: -0.679 local terms energy: -371.298477 where: bonds (distance) C4'-P energy: -54.790 bonds (distance) P-C4' energy: -80.723 flat angles C4'-P-C4' energy: -78.060 flat angles P-C4'-P energy: -59.464 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: 5, replica: 9 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1081.888189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.888189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.888189 (E_RNA) where: Base-Base interactions energy: -726.180 where: short stacking energy: -317.068 Base-Backbone interact. energy: -0.916 local terms energy: -354.791923 where: bonds (distance) C4'-P energy: -53.820 bonds (distance) P-C4' energy: -73.756 flat angles C4'-P-C4' energy: -89.243 flat angles P-C4'-P energy: -52.655 tors. eta vs tors. theta energy: -85.318 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: 6, replica: 2 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -972.457929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.457929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.457929 (E_RNA) where: Base-Base interactions energy: -617.844 where: short stacking energy: -283.765 Base-Backbone interact. energy: -1.072 local terms energy: -353.541952 where: bonds (distance) C4'-P energy: -68.734 bonds (distance) P-C4' energy: -80.473 flat angles C4'-P-C4' energy: -83.785 flat angles P-C4'-P energy: -45.182 tors. eta vs tors. theta energy: -75.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -760.670711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.670711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.670711 (E_RNA) where: Base-Base interactions energy: -470.477 where: short stacking energy: -240.821 Base-Backbone interact. energy: -3.918 local terms energy: -286.276275 where: bonds (distance) C4'-P energy: -50.392 bonds (distance) P-C4' energy: -66.073 flat angles C4'-P-C4' energy: -76.353 flat angles P-C4'-P energy: -45.531 tors. eta vs tors. theta energy: -47.928 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: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -656.817863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.817863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.817863 (E_RNA) where: Base-Base interactions energy: -385.396 where: short stacking energy: -211.909 Base-Backbone interact. energy: 4.793 local terms energy: -276.215079 where: bonds (distance) C4'-P energy: -60.317 bonds (distance) P-C4' energy: -64.674 flat angles C4'-P-C4' energy: -71.676 flat angles P-C4'-P energy: -38.485 tors. eta vs tors. theta energy: -41.063 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: 3 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -502.691601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.691601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.691601 (E_RNA) where: Base-Base interactions energy: -262.134 where: short stacking energy: -151.686 Base-Backbone interact. energy: 0.759 local terms energy: -241.316892 where: bonds (distance) C4'-P energy: -67.488 bonds (distance) P-C4' energy: -66.783 flat angles C4'-P-C4' energy: -58.436 flat angles P-C4'-P energy: -29.162 tors. eta vs tors. theta energy: -19.447 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: 8 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -426.416502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.416502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.416502 (E_RNA) where: Base-Base interactions energy: -201.556 where: short stacking energy: -94.241 Base-Backbone interact. energy: -0.567 local terms energy: -224.293295 where: bonds (distance) C4'-P energy: -68.216 bonds (distance) P-C4' energy: -64.779 flat angles C4'-P-C4' energy: -64.272 flat angles P-C4'-P energy: -32.255 tors. eta vs tors. theta energy: 5.228 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: 10 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1358.567150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.567150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.567150 (E_RNA) where: Base-Base interactions energy: -944.402 where: short stacking energy: -425.081 Base-Backbone interact. energy: -0.279 local terms energy: -413.886419 where: bonds (distance) C4'-P energy: -72.220 bonds (distance) P-C4' energy: -67.720 flat angles C4'-P-C4' energy: -88.453 flat angles P-C4'-P energy: -67.006 tors. eta vs tors. theta energy: -118.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1272.376724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.376724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.376724 (E_RNA) where: Base-Base interactions energy: -850.855 where: short stacking energy: -363.801 Base-Backbone interact. energy: -0.132 local terms energy: -421.389642 where: bonds (distance) C4'-P energy: -74.335 bonds (distance) P-C4' energy: -80.657 flat angles C4'-P-C4' energy: -91.976 flat angles P-C4'-P energy: -63.086 tors. eta vs tors. theta energy: -111.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1179.954689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.954689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.954689 (E_RNA) where: Base-Base interactions energy: -778.246 where: short stacking energy: -356.598 Base-Backbone interact. energy: -0.517 local terms energy: -401.191848 where: bonds (distance) C4'-P energy: -73.997 bonds (distance) P-C4' energy: -75.370 flat angles C4'-P-C4' energy: -82.513 flat angles P-C4'-P energy: -65.581 tors. eta vs tors. theta energy: -103.730 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: 9 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1117.920047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.920047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.920047 (E_RNA) where: Base-Base interactions energy: -783.118 where: short stacking energy: -349.544 Base-Backbone interact. energy: -1.875 local terms energy: -332.927752 where: bonds (distance) C4'-P energy: -55.554 bonds (distance) P-C4' energy: -59.213 flat angles C4'-P-C4' energy: -72.069 flat angles P-C4'-P energy: -47.284 tors. eta vs tors. theta energy: -98.807 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: 5, replica: 4 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1021.750145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.750145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.750145 (E_RNA) where: Base-Base interactions energy: -657.560 where: short stacking energy: -286.650 Base-Backbone interact. energy: -1.709 local terms energy: -362.481271 where: bonds (distance) C4'-P energy: -79.181 bonds (distance) P-C4' energy: -74.348 flat angles C4'-P-C4' energy: -71.595 flat angles P-C4'-P energy: -51.878 tors. eta vs tors. theta energy: -85.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -928.044835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.044835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.044835 (E_RNA) where: Base-Base interactions energy: -599.662 where: short stacking energy: -273.939 Base-Backbone interact. energy: 0.760 local terms energy: -329.142607 where: bonds (distance) C4'-P energy: -69.375 bonds (distance) P-C4' energy: -81.647 flat angles C4'-P-C4' energy: -66.724 flat angles P-C4'-P energy: -38.226 tors. eta vs tors. theta energy: -73.171 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: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -859.159971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.159971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.159971 (E_RNA) where: Base-Base interactions energy: -538.819 where: short stacking energy: -255.387 Base-Backbone interact. energy: -4.411 local terms energy: -315.929409 where: bonds (distance) C4'-P energy: -75.281 bonds (distance) P-C4' energy: -69.372 flat angles C4'-P-C4' energy: -79.061 flat angles P-C4'-P energy: -41.004 tors. eta vs tors. theta energy: -51.211 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: 8, replica: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -626.650060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.650060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.650060 (E_RNA) where: Base-Base interactions energy: -374.670 where: short stacking energy: -190.392 Base-Backbone interact. energy: 3.226 local terms energy: -255.206165 where: bonds (distance) C4'-P energy: -63.504 bonds (distance) P-C4' energy: -82.463 flat angles C4'-P-C4' energy: -50.036 flat angles P-C4'-P energy: -32.184 tors. eta vs tors. theta energy: -27.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -516.172032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.172032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.172032 (E_RNA) where: Base-Base interactions energy: -274.293 where: short stacking energy: -160.106 Base-Backbone interact. energy: 1.795 local terms energy: -243.673986 where: bonds (distance) C4'-P energy: -67.117 bonds (distance) P-C4' energy: -74.165 flat angles C4'-P-C4' energy: -64.637 flat angles P-C4'-P energy: -32.193 tors. eta vs tors. theta energy: -5.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -443.223396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.223396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.223396 (E_RNA) where: Base-Base interactions energy: -210.418 where: short stacking energy: -124.394 Base-Backbone interact. energy: -0.478 local terms energy: -232.326538 where: bonds (distance) C4'-P energy: -64.656 bonds (distance) P-C4' energy: -76.097 flat angles C4'-P-C4' energy: -46.680 flat angles P-C4'-P energy: -37.593 tors. eta vs tors. theta energy: -7.300 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: 10 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1366.786448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.786448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.786448 (E_RNA) where: Base-Base interactions energy: -941.598 where: short stacking energy: -424.221 Base-Backbone interact. energy: -0.131 local terms energy: -425.057106 where: bonds (distance) C4'-P energy: -78.028 bonds (distance) P-C4' energy: -78.612 flat angles C4'-P-C4' energy: -85.039 flat angles P-C4'-P energy: -57.267 tors. eta vs tors. theta energy: -126.110 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: 1 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1277.262047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.262047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.262047 (E_RNA) where: Base-Base interactions energy: -860.351 where: short stacking energy: -366.886 Base-Backbone interact. energy: -1.799 local terms energy: -415.111242 where: bonds (distance) C4'-P energy: -82.594 bonds (distance) P-C4' energy: -78.501 flat angles C4'-P-C4' energy: -87.257 flat angles P-C4'-P energy: -63.207 tors. eta vs tors. theta energy: -103.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1192.256595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.256595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.256595 (E_RNA) where: Base-Base interactions energy: -806.588 where: short stacking energy: -362.434 Base-Backbone interact. energy: -1.303 local terms energy: -384.365172 where: bonds (distance) C4'-P energy: -71.476 bonds (distance) P-C4' energy: -74.903 flat angles C4'-P-C4' energy: -85.233 flat angles P-C4'-P energy: -51.720 tors. eta vs tors. theta energy: -101.033 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: 9 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1170.087508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.087508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.087508 (E_RNA) where: Base-Base interactions energy: -783.894 where: short stacking energy: -328.636 Base-Backbone interact. energy: -2.079 local terms energy: -384.114999 where: bonds (distance) C4'-P energy: -63.156 bonds (distance) P-C4' energy: -67.935 flat angles C4'-P-C4' energy: -89.915 flat angles P-C4'-P energy: -56.983 tors. eta vs tors. theta energy: -106.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1062.262355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.262355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.262355 (E_RNA) where: Base-Base interactions energy: -696.844 where: short stacking energy: -300.921 Base-Backbone interact. energy: -1.044 local terms energy: -364.374846 where: bonds (distance) C4'-P energy: -68.730 bonds (distance) P-C4' energy: -79.377 flat angles C4'-P-C4' energy: -81.972 flat angles P-C4'-P energy: -50.515 tors. eta vs tors. theta energy: -83.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -942.456987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.456987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.456987 (E_RNA) where: Base-Base interactions energy: -605.462 where: short stacking energy: -279.230 Base-Backbone interact. energy: -0.808 local terms energy: -336.186195 where: bonds (distance) C4'-P energy: -64.895 bonds (distance) P-C4' energy: -78.960 flat angles C4'-P-C4' energy: -72.051 flat angles P-C4'-P energy: -42.131 tors. eta vs tors. theta energy: -78.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -835.462069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.462069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.462069 (E_RNA) where: Base-Base interactions energy: -529.454 where: short stacking energy: -270.448 Base-Backbone interact. energy: -0.465 local terms energy: -305.543363 where: bonds (distance) C4'-P energy: -75.148 bonds (distance) P-C4' energy: -72.808 flat angles C4'-P-C4' energy: -69.081 flat angles P-C4'-P energy: -36.635 tors. eta vs tors. theta energy: -51.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -641.649304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.649304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.649304 (E_RNA) where: Base-Base interactions energy: -365.462 where: short stacking energy: -197.439 Base-Backbone interact. energy: -2.551 local terms energy: -273.637045 where: bonds (distance) C4'-P energy: -78.989 bonds (distance) P-C4' energy: -65.396 flat angles C4'-P-C4' energy: -55.731 flat angles P-C4'-P energy: -40.075 tors. eta vs tors. theta energy: -33.447 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: 3 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -536.078902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.078902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.078902 (E_RNA) where: Base-Base interactions energy: -267.163 where: short stacking energy: -143.161 Base-Backbone interact. energy: 0.255 local terms energy: -269.170521 where: bonds (distance) C4'-P energy: -80.192 bonds (distance) P-C4' energy: -85.223 flat angles C4'-P-C4' energy: -59.740 flat angles P-C4'-P energy: -33.426 tors. eta vs tors. theta energy: -10.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -437.252548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.252548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.252548 (E_RNA) where: Base-Base interactions energy: -225.914 where: short stacking energy: -136.795 Base-Backbone interact. energy: -0.952 local terms energy: -210.386015 where: bonds (distance) C4'-P energy: -64.981 bonds (distance) P-C4' energy: -63.724 flat angles C4'-P-C4' energy: -57.097 flat angles P-C4'-P energy: -32.815 tors. eta vs tors. theta energy: 8.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1352.340116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.340116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.340116 (E_RNA) where: Base-Base interactions energy: -918.745 where: short stacking energy: -421.592 Base-Backbone interact. energy: -1.284 local terms energy: -432.311199 where: bonds (distance) C4'-P energy: -84.650 bonds (distance) P-C4' energy: -73.531 flat angles C4'-P-C4' energy: -91.325 flat angles P-C4'-P energy: -58.625 tors. eta vs tors. theta energy: -124.181 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: 1 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1281.385882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.385882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.385882 (E_RNA) where: Base-Base interactions energy: -875.812 where: short stacking energy: -378.826 Base-Backbone interact. energy: -2.608 local terms energy: -402.966222 where: bonds (distance) C4'-P energy: -76.403 bonds (distance) P-C4' energy: -72.651 flat angles C4'-P-C4' energy: -86.501 flat angles P-C4'-P energy: -60.257 tors. eta vs tors. theta energy: -107.155 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: 7 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1196.863304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.863304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.863304 (E_RNA) where: Base-Base interactions energy: -804.505 where: short stacking energy: -359.488 Base-Backbone interact. energy: -0.564 local terms energy: -391.794040 where: bonds (distance) C4'-P energy: -66.373 bonds (distance) P-C4' energy: -75.111 flat angles C4'-P-C4' energy: -94.455 flat angles P-C4'-P energy: -54.860 tors. eta vs tors. theta energy: -100.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1136.886673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.886673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.886673 (E_RNA) where: Base-Base interactions energy: -739.828 where: short stacking energy: -334.123 Base-Backbone interact. energy: -1.332 local terms energy: -395.726094 where: bonds (distance) C4'-P energy: -82.315 bonds (distance) P-C4' energy: -76.980 flat angles C4'-P-C4' energy: -77.717 flat angles P-C4'-P energy: -57.594 tors. eta vs tors. theta energy: -101.121 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: 5, replica: 4 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1081.059571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.059571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.059571 (E_RNA) where: Base-Base interactions energy: -713.025 where: short stacking energy: -320.215 Base-Backbone interact. energy: -2.443 local terms energy: -365.591810 where: bonds (distance) C4'-P energy: -65.176 bonds (distance) P-C4' energy: -73.750 flat angles C4'-P-C4' energy: -76.600 flat angles P-C4'-P energy: -50.531 tors. eta vs tors. theta energy: -99.535 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: 2 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -965.357266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.357266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.357266 (E_RNA) where: Base-Base interactions energy: -631.632 where: short stacking energy: -284.238 Base-Backbone interact. energy: -0.997 local terms energy: -332.727720 where: bonds (distance) C4'-P energy: -74.246 bonds (distance) P-C4' energy: -66.137 flat angles C4'-P-C4' energy: -78.775 flat angles P-C4'-P energy: -40.959 tors. eta vs tors. theta energy: -72.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -843.925379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.925379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.925379 (E_RNA) where: Base-Base interactions energy: -526.318 where: short stacking energy: -241.501 Base-Backbone interact. energy: -2.035 local terms energy: -315.571941 where: bonds (distance) C4'-P energy: -72.642 bonds (distance) P-C4' energy: -72.146 flat angles C4'-P-C4' energy: -80.661 flat angles P-C4'-P energy: -43.783 tors. eta vs tors. theta energy: -46.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -633.137398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.137398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.137398 (E_RNA) where: Base-Base interactions energy: -348.809 where: short stacking energy: -185.040 Base-Backbone interact. energy: -1.303 local terms energy: -283.025487 where: bonds (distance) C4'-P energy: -66.443 bonds (distance) P-C4' energy: -78.660 flat angles C4'-P-C4' energy: -77.882 flat angles P-C4'-P energy: -37.788 tors. eta vs tors. theta energy: -22.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -544.959764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.959764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.959764 (E_RNA) where: Base-Base interactions energy: -287.078 where: short stacking energy: -184.996 Base-Backbone interact. energy: -1.398 local terms energy: -256.483419 where: bonds (distance) C4'-P energy: -56.798 bonds (distance) P-C4' energy: -71.160 flat angles C4'-P-C4' energy: -62.108 flat angles P-C4'-P energy: -30.318 tors. eta vs tors. theta energy: -36.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -458.558228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.558228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.558228 (E_RNA) where: Base-Base interactions energy: -215.300 where: short stacking energy: -120.706 Base-Backbone interact. energy: 0.922 local terms energy: -244.180650 where: bonds (distance) C4'-P energy: -66.451 bonds (distance) P-C4' energy: -74.799 flat angles C4'-P-C4' energy: -61.469 flat angles P-C4'-P energy: -32.279 tors. eta vs tors. theta energy: -9.183 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: 10 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1359.299366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.299366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.299366 (E_RNA) where: Base-Base interactions energy: -918.879 where: short stacking energy: -416.747 Base-Backbone interact. energy: -1.216 local terms energy: -439.204511 where: bonds (distance) C4'-P energy: -78.254 bonds (distance) P-C4' energy: -83.343 flat angles C4'-P-C4' energy: -88.399 flat angles P-C4'-P energy: -69.308 tors. eta vs tors. theta energy: -119.900 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: 1 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1295.838234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.838234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.838234 (E_RNA) where: Base-Base interactions energy: -881.577 where: short stacking energy: -371.126 Base-Backbone interact. energy: -2.255 local terms energy: -412.005875 where: bonds (distance) C4'-P energy: -69.909 bonds (distance) P-C4' energy: -80.719 flat angles C4'-P-C4' energy: -84.234 flat angles P-C4'-P energy: -66.490 tors. eta vs tors. theta energy: -110.654 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: 7 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1192.274936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.274936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.274936 (E_RNA) where: Base-Base interactions energy: -814.268 where: short stacking energy: -354.455 Base-Backbone interact. energy: -1.190 local terms energy: -376.817177 where: bonds (distance) C4'-P energy: -66.134 bonds (distance) P-C4' energy: -77.838 flat angles C4'-P-C4' energy: -83.887 flat angles P-C4'-P energy: -49.761 tors. eta vs tors. theta energy: -99.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1146.550064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.550064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.550064 (E_RNA) where: Base-Base interactions energy: -758.734 where: short stacking energy: -343.325 Base-Backbone interact. energy: -0.440 local terms energy: -387.375919 where: bonds (distance) C4'-P energy: -78.558 bonds (distance) P-C4' energy: -74.023 flat angles C4'-P-C4' energy: -79.759 flat angles P-C4'-P energy: -53.399 tors. eta vs tors. theta energy: -101.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1126.500416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.500416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.500416 (E_RNA) where: Base-Base interactions energy: -713.253 where: short stacking energy: -341.402 Base-Backbone interact. energy: -2.629 local terms energy: -410.618765 where: bonds (distance) C4'-P energy: -78.449 bonds (distance) P-C4' energy: -81.710 flat angles C4'-P-C4' energy: -84.514 flat angles P-C4'-P energy: -53.797 tors. eta vs tors. theta energy: -112.148 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: 2 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -979.364023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.364023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.364023 (E_RNA) where: Base-Base interactions energy: -658.323 where: short stacking energy: -288.817 Base-Backbone interact. energy: -2.354 local terms energy: -318.687017 where: bonds (distance) C4'-P energy: -59.960 bonds (distance) P-C4' energy: -72.535 flat angles C4'-P-C4' energy: -73.788 flat angles P-C4'-P energy: -38.069 tors. eta vs tors. theta energy: -74.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -846.783702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.783702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.783702 (E_RNA) where: Base-Base interactions energy: -512.803 where: short stacking energy: -242.128 Base-Backbone interact. energy: -2.636 local terms energy: -331.344984 where: bonds (distance) C4'-P energy: -67.025 bonds (distance) P-C4' energy: -78.282 flat angles C4'-P-C4' energy: -80.968 flat angles P-C4'-P energy: -44.329 tors. eta vs tors. theta energy: -60.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -636.568457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.568457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.568457 (E_RNA) where: Base-Base interactions energy: -368.137 where: short stacking energy: -199.081 Base-Backbone interact. energy: -1.435 local terms energy: -266.995981 where: bonds (distance) C4'-P energy: -70.127 bonds (distance) P-C4' energy: -64.936 flat angles C4'-P-C4' energy: -56.159 flat angles P-C4'-P energy: -31.886 tors. eta vs tors. theta energy: -43.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -517.049485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.049485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.049485 (E_RNA) where: Base-Base interactions energy: -280.548 where: short stacking energy: -171.622 Base-Backbone interact. energy: 2.556 local terms energy: -239.057050 where: bonds (distance) C4'-P energy: -51.001 bonds (distance) P-C4' energy: -71.218 flat angles C4'-P-C4' energy: -67.573 flat angles P-C4'-P energy: -35.455 tors. eta vs tors. theta energy: -13.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -424.447026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.447026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.447026 (E_RNA) where: Base-Base interactions energy: -215.898 where: short stacking energy: -142.055 Base-Backbone interact. energy: -1.574 local terms energy: -206.975086 where: bonds (distance) C4'-P energy: -62.944 bonds (distance) P-C4' energy: -60.557 flat angles C4'-P-C4' energy: -37.565 flat angles P-C4'-P energy: -31.360 tors. eta vs tors. theta energy: -14.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1361.577013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.577013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.577013 (E_RNA) where: Base-Base interactions energy: -924.404 where: short stacking energy: -425.896 Base-Backbone interact. energy: 1.709 local terms energy: -438.881397 where: bonds (distance) C4'-P energy: -81.988 bonds (distance) P-C4' energy: -71.529 flat angles C4'-P-C4' energy: -101.122 flat angles P-C4'-P energy: -60.037 tors. eta vs tors. theta energy: -124.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1277.068073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.068073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.068073 (E_RNA) where: Base-Base interactions energy: -855.594 where: short stacking energy: -372.335 Base-Backbone interact. energy: -3.854 local terms energy: -417.620286 where: bonds (distance) C4'-P energy: -84.298 bonds (distance) P-C4' energy: -77.308 flat angles C4'-P-C4' energy: -88.517 flat angles P-C4'-P energy: -65.047 tors. eta vs tors. theta energy: -102.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1201.972592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.972592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.972592 (E_RNA) where: Base-Base interactions energy: -825.103 where: short stacking energy: -357.854 Base-Backbone interact. energy: -2.402 local terms energy: -374.467617 where: bonds (distance) C4'-P energy: -80.090 bonds (distance) P-C4' energy: -57.512 flat angles C4'-P-C4' energy: -90.385 flat angles P-C4'-P energy: -51.192 tors. eta vs tors. theta energy: -95.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1140.615223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.615223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.615223 (E_RNA) where: Base-Base interactions energy: -775.602 where: short stacking energy: -351.261 Base-Backbone interact. energy: 0.132 local terms energy: -365.145561 where: bonds (distance) C4'-P energy: -66.093 bonds (distance) P-C4' energy: -64.433 flat angles C4'-P-C4' energy: -77.369 flat angles P-C4'-P energy: -59.284 tors. eta vs tors. theta energy: -97.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1057.666901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.666901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.666901 (E_RNA) where: Base-Base interactions energy: -693.391 where: short stacking energy: -306.631 Base-Backbone interact. energy: -3.029 local terms energy: -361.247291 where: bonds (distance) C4'-P energy: -75.869 bonds (distance) P-C4' energy: -81.664 flat angles C4'-P-C4' energy: -79.503 flat angles P-C4'-P energy: -48.081 tors. eta vs tors. theta energy: -76.132 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: 2 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -937.710182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.710182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.710182 (E_RNA) where: Base-Base interactions energy: -623.303 where: short stacking energy: -272.810 Base-Backbone interact. energy: 0.148 local terms energy: -314.555183 where: bonds (distance) C4'-P energy: -66.092 bonds (distance) P-C4' energy: -70.578 flat angles C4'-P-C4' energy: -68.799 flat angles P-C4'-P energy: -44.924 tors. eta vs tors. theta energy: -64.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -837.512783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.512783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.512783 (E_RNA) where: Base-Base interactions energy: -538.298 where: short stacking energy: -265.018 Base-Backbone interact. energy: -1.391 local terms energy: -297.824101 where: bonds (distance) C4'-P energy: -58.759 bonds (distance) P-C4' energy: -74.354 flat angles C4'-P-C4' energy: -67.297 flat angles P-C4'-P energy: -42.942 tors. eta vs tors. theta energy: -54.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -631.823271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.823271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.823271 (E_RNA) where: Base-Base interactions energy: -365.733 where: short stacking energy: -195.430 Base-Backbone interact. energy: -0.935 local terms energy: -265.155460 where: bonds (distance) C4'-P energy: -70.844 bonds (distance) P-C4' energy: -65.713 flat angles C4'-P-C4' energy: -66.163 flat angles P-C4'-P energy: -39.240 tors. eta vs tors. theta energy: -23.196 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: 3 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -556.776358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.776358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.776358 (E_RNA) where: Base-Base interactions energy: -297.729 where: short stacking energy: -159.893 Base-Backbone interact. energy: 1.765 local terms energy: -260.812309 where: bonds (distance) C4'-P energy: -73.741 bonds (distance) P-C4' energy: -68.160 flat angles C4'-P-C4' energy: -63.930 flat angles P-C4'-P energy: -43.673 tors. eta vs tors. theta energy: -11.307 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: 8 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -431.271920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.271920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.271920 (E_RNA) where: Base-Base interactions energy: -182.776 where: short stacking energy: -105.015 Base-Backbone interact. energy: -1.551 local terms energy: -246.945327 where: bonds (distance) C4'-P energy: -61.144 bonds (distance) P-C4' energy: -77.542 flat angles C4'-P-C4' energy: -66.891 flat angles P-C4'-P energy: -39.213 tors. eta vs tors. theta energy: -2.155 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: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1354.199230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.199230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.199230 (E_RNA) where: Base-Base interactions energy: -914.324 where: short stacking energy: -420.581 Base-Backbone interact. energy: 0.959 local terms energy: -440.834642 where: bonds (distance) C4'-P energy: -79.605 bonds (distance) P-C4' energy: -77.622 flat angles C4'-P-C4' energy: -90.809 flat angles P-C4'-P energy: -62.333 tors. eta vs tors. theta energy: -130.466 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: 2, replica: 1 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1279.030391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.030391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.030391 (E_RNA) where: Base-Base interactions energy: -870.375 where: short stacking energy: -391.032 Base-Backbone interact. energy: -0.119 local terms energy: -408.537282 where: bonds (distance) C4'-P energy: -74.372 bonds (distance) P-C4' energy: -73.917 flat angles C4'-P-C4' energy: -88.991 flat angles P-C4'-P energy: -56.868 tors. eta vs tors. theta energy: -114.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1220.361210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.361210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.361210 (E_RNA) where: Base-Base interactions energy: -830.087 where: short stacking energy: -355.314 Base-Backbone interact. energy: -0.358 local terms energy: -389.915897 where: bonds (distance) C4'-P energy: -76.431 bonds (distance) P-C4' energy: -75.838 flat angles C4'-P-C4' energy: -82.122 flat angles P-C4'-P energy: -57.060 tors. eta vs tors. theta energy: -98.464 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: 9 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1171.624382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.624382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.624382 (E_RNA) where: Base-Base interactions energy: -780.829 where: short stacking energy: -367.019 Base-Backbone interact. energy: -0.560 local terms energy: -390.235084 where: bonds (distance) C4'-P energy: -78.250 bonds (distance) P-C4' energy: -71.545 flat angles C4'-P-C4' energy: -88.966 flat angles P-C4'-P energy: -45.421 tors. eta vs tors. theta energy: -106.053 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: 4 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1041.079168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.079168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.079168 (E_RNA) where: Base-Base interactions energy: -683.521 where: short stacking energy: -325.519 Base-Backbone interact. energy: 0.328 local terms energy: -357.885996 where: bonds (distance) C4'-P energy: -72.658 bonds (distance) P-C4' energy: -79.430 flat angles C4'-P-C4' energy: -73.175 flat angles P-C4'-P energy: -38.634 tors. eta vs tors. theta energy: -93.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -912.808972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.808972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.808972 (E_RNA) where: Base-Base interactions energy: -588.447 where: short stacking energy: -277.296 Base-Backbone interact. energy: 3.890 local terms energy: -328.251783 where: bonds (distance) C4'-P energy: -62.382 bonds (distance) P-C4' energy: -69.248 flat angles C4'-P-C4' energy: -73.155 flat angles P-C4'-P energy: -55.167 tors. eta vs tors. theta energy: -68.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -868.975692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.975692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.975692 (E_RNA) where: Base-Base interactions energy: -548.751 where: short stacking energy: -245.806 Base-Backbone interact. energy: -0.155 local terms energy: -320.068954 where: bonds (distance) C4'-P energy: -72.532 bonds (distance) P-C4' energy: -60.720 flat angles C4'-P-C4' energy: -69.754 flat angles P-C4'-P energy: -54.186 tors. eta vs tors. theta energy: -62.878 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: 6 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -653.692597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.692597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.692597 (E_RNA) where: Base-Base interactions energy: -360.941 where: short stacking energy: -200.849 Base-Backbone interact. energy: -2.301 local terms energy: -290.450219 where: bonds (distance) C4'-P energy: -79.232 bonds (distance) P-C4' energy: -69.083 flat angles C4'-P-C4' energy: -69.832 flat angles P-C4'-P energy: -35.924 tors. eta vs tors. theta energy: -36.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -530.648056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.648056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.648056 (E_RNA) where: Base-Base interactions energy: -276.059 where: short stacking energy: -155.626 Base-Backbone interact. energy: -0.549 local terms energy: -254.039555 where: bonds (distance) C4'-P energy: -53.464 bonds (distance) P-C4' energy: -71.175 flat angles C4'-P-C4' energy: -71.994 flat angles P-C4'-P energy: -43.170 tors. eta vs tors. theta energy: -14.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -418.222909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.222909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.222909 (E_RNA) where: Base-Base interactions energy: -178.898 where: short stacking energy: -111.584 Base-Backbone interact. energy: 0.125 local terms energy: -239.450386 where: bonds (distance) C4'-P energy: -66.841 bonds (distance) P-C4' energy: -82.002 flat angles C4'-P-C4' energy: -51.159 flat angles P-C4'-P energy: -41.785 tors. eta vs tors. theta energy: 2.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1350.203871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.203871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.203871 (E_RNA) where: Base-Base interactions energy: -923.477 where: short stacking energy: -433.160 Base-Backbone interact. energy: -1.988 local terms energy: -424.739436 where: bonds (distance) C4'-P energy: -85.941 bonds (distance) P-C4' energy: -72.160 flat angles C4'-P-C4' energy: -82.727 flat angles P-C4'-P energy: -54.491 tors. eta vs tors. theta energy: -129.420 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: 1 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1276.447028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.447028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.447028 (E_RNA) where: Base-Base interactions energy: -864.489 where: short stacking energy: -385.154 Base-Backbone interact. energy: -1.347 local terms energy: -410.610743 where: bonds (distance) C4'-P energy: -71.133 bonds (distance) P-C4' energy: -80.561 flat angles C4'-P-C4' energy: -90.764 flat angles P-C4'-P energy: -62.542 tors. eta vs tors. theta energy: -105.610 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: 7 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1185.903389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.903389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.903389 (E_RNA) where: Base-Base interactions energy: -787.299 where: short stacking energy: -342.124 Base-Backbone interact. energy: -0.151 local terms energy: -398.453642 where: bonds (distance) C4'-P energy: -75.401 bonds (distance) P-C4' energy: -78.590 flat angles C4'-P-C4' energy: -88.818 flat angles P-C4'-P energy: -57.262 tors. eta vs tors. theta energy: -98.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1149.249329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.249329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.249329 (E_RNA) where: Base-Base interactions energy: -764.892 where: short stacking energy: -328.007 Base-Backbone interact. energy: -1.472 local terms energy: -382.885151 where: bonds (distance) C4'-P energy: -76.373 bonds (distance) P-C4' energy: -70.187 flat angles C4'-P-C4' energy: -74.120 flat angles P-C4'-P energy: -64.980 tors. eta vs tors. theta energy: -97.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1009.885317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.885317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.885317 (E_RNA) where: Base-Base interactions energy: -668.392 where: short stacking energy: -307.073 Base-Backbone interact. energy: -0.268 local terms energy: -341.225392 where: bonds (distance) C4'-P energy: -68.333 bonds (distance) P-C4' energy: -68.260 flat angles C4'-P-C4' energy: -80.906 flat angles P-C4'-P energy: -40.295 tors. eta vs tors. theta energy: -83.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -972.058506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.058506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.058506 (E_RNA) where: Base-Base interactions energy: -637.689 where: short stacking energy: -297.578 Base-Backbone interact. energy: 1.174 local terms energy: -335.543291 where: bonds (distance) C4'-P energy: -75.144 bonds (distance) P-C4' energy: -57.166 flat angles C4'-P-C4' energy: -74.741 flat angles P-C4'-P energy: -57.343 tors. eta vs tors. theta energy: -71.148 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: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -762.520177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.520177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.520177 (E_RNA) where: Base-Base interactions energy: -450.371 where: short stacking energy: -228.340 Base-Backbone interact. energy: -0.113 local terms energy: -312.036297 where: bonds (distance) C4'-P energy: -59.336 bonds (distance) P-C4' energy: -84.532 flat angles C4'-P-C4' energy: -65.726 flat angles P-C4'-P energy: -50.306 tors. eta vs tors. theta energy: -52.136 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: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -638.354094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.354094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.354094 (E_RNA) where: Base-Base interactions energy: -352.576 where: short stacking energy: -189.843 Base-Backbone interact. energy: -0.888 local terms energy: -284.889873 where: bonds (distance) C4'-P energy: -74.076 bonds (distance) P-C4' energy: -64.266 flat angles C4'-P-C4' energy: -63.216 flat angles P-C4'-P energy: -46.392 tors. eta vs tors. theta energy: -36.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -547.491187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.491187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.491187 (E_RNA) where: Base-Base interactions energy: -288.720 where: short stacking energy: -155.517 Base-Backbone interact. energy: -0.284 local terms energy: -258.486539 where: bonds (distance) C4'-P energy: -60.358 bonds (distance) P-C4' energy: -52.834 flat angles C4'-P-C4' energy: -77.733 flat angles P-C4'-P energy: -49.560 tors. eta vs tors. theta energy: -18.001 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: 471 Temperature: 1.350000 Total energy: -456.862037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.862037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.862037 (E_RNA) where: Base-Base interactions energy: -229.936 where: short stacking energy: -119.249 Base-Backbone interact. energy: -3.884 local terms energy: -223.041907 where: bonds (distance) C4'-P energy: -57.344 bonds (distance) P-C4' energy: -72.827 flat angles C4'-P-C4' energy: -60.741 flat angles P-C4'-P energy: -36.352 tors. eta vs tors. theta energy: 4.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1373.864574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.864574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.864574 (E_RNA) where: Base-Base interactions energy: -922.126 where: short stacking energy: -446.437 Base-Backbone interact. energy: -1.188 local terms energy: -450.550456 where: bonds (distance) C4'-P energy: -79.803 bonds (distance) P-C4' energy: -75.650 flat angles C4'-P-C4' energy: -92.451 flat angles P-C4'-P energy: -66.570 tors. eta vs tors. theta energy: -136.076 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: 1 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1294.317811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.317811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.317811 (E_RNA) where: Base-Base interactions energy: -875.146 where: short stacking energy: -405.298 Base-Backbone interact. energy: 1.080 local terms energy: -420.252051 where: bonds (distance) C4'-P energy: -75.478 bonds (distance) P-C4' energy: -80.270 flat angles C4'-P-C4' energy: -85.376 flat angles P-C4'-P energy: -58.410 tors. eta vs tors. theta energy: -120.717 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: 9 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1176.229227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.229227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.229227 (E_RNA) where: Base-Base interactions energy: -785.979 where: short stacking energy: -340.341 Base-Backbone interact. energy: -1.457 local terms energy: -388.793014 where: bonds (distance) C4'-P energy: -72.434 bonds (distance) P-C4' energy: -74.365 flat angles C4'-P-C4' energy: -78.138 flat angles P-C4'-P energy: -63.101 tors. eta vs tors. theta energy: -100.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1196.176722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.176722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.176722 (E_RNA) where: Base-Base interactions energy: -810.675 where: short stacking energy: -355.169 Base-Backbone interact. energy: 0.582 local terms energy: -386.084321 where: bonds (distance) C4'-P energy: -62.599 bonds (distance) P-C4' energy: -81.505 flat angles C4'-P-C4' energy: -89.185 flat angles P-C4'-P energy: -58.726 tors. eta vs tors. theta energy: -94.069 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: 2 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1001.186067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.186067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.186067 (E_RNA) where: Base-Base interactions energy: -685.504 where: short stacking energy: -295.002 Base-Backbone interact. energy: -1.333 local terms energy: -314.349466 where: bonds (distance) C4'-P energy: -70.186 bonds (distance) P-C4' energy: -69.825 flat angles C4'-P-C4' energy: -66.848 flat angles P-C4'-P energy: -33.557 tors. eta vs tors. theta energy: -73.934 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: 6, replica: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -965.375022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.375022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.375022 (E_RNA) where: Base-Base interactions energy: -650.108 where: short stacking energy: -294.895 Base-Backbone interact. energy: 2.392 local terms energy: -317.659113 where: bonds (distance) C4'-P energy: -71.113 bonds (distance) P-C4' energy: -68.456 flat angles C4'-P-C4' energy: -63.553 flat angles P-C4'-P energy: -51.054 tors. eta vs tors. theta energy: -63.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -671.791756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.791756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.791756 (E_RNA) where: Base-Base interactions energy: -395.967 where: short stacking energy: -209.193 Base-Backbone interact. energy: -0.166 local terms energy: -275.657954 where: bonds (distance) C4'-P energy: -58.044 bonds (distance) P-C4' energy: -82.599 flat angles C4'-P-C4' energy: -73.484 flat angles P-C4'-P energy: -26.615 tors. eta vs tors. theta energy: -34.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -684.958746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.958746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.958746 (E_RNA) where: Base-Base interactions energy: -419.611 where: short stacking energy: -200.361 Base-Backbone interact. energy: 4.625 local terms energy: -269.972468 where: bonds (distance) C4'-P energy: -76.996 bonds (distance) P-C4' energy: -71.692 flat angles C4'-P-C4' energy: -51.456 flat angles P-C4'-P energy: -40.786 tors. eta vs tors. theta energy: -29.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -499.513207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.513207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.513207 (E_RNA) where: Base-Base interactions energy: -237.930 where: short stacking energy: -121.182 Base-Backbone interact. energy: -1.489 local terms energy: -260.094063 where: bonds (distance) C4'-P energy: -66.407 bonds (distance) P-C4' energy: -76.425 flat angles C4'-P-C4' energy: -61.663 flat angles P-C4'-P energy: -51.080 tors. eta vs tors. theta energy: -4.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -482.761145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.761145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.761145 (E_RNA) where: Base-Base interactions energy: -234.974 where: short stacking energy: -126.192 Base-Backbone interact. energy: 0.572 local terms energy: -248.358599 where: bonds (distance) C4'-P energy: -61.181 bonds (distance) P-C4' energy: -79.520 flat angles C4'-P-C4' energy: -37.460 flat angles P-C4'-P energy: -52.772 tors. eta vs tors. theta energy: -17.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1348.184958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.184958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.184958 (E_RNA) where: Base-Base interactions energy: -937.343 where: short stacking energy: -429.952 Base-Backbone interact. energy: -2.149 local terms energy: -408.692466 where: bonds (distance) C4'-P energy: -76.627 bonds (distance) P-C4' energy: -66.803 flat angles C4'-P-C4' energy: -85.248 flat angles P-C4'-P energy: -57.253 tors. eta vs tors. theta energy: -122.761 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: 2, replica: 1 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1296.560813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.560813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.560813 (E_RNA) where: Base-Base interactions energy: -876.386 where: short stacking energy: -398.220 Base-Backbone interact. energy: -1.718 local terms energy: -418.456858 where: bonds (distance) C4'-P energy: -80.438 bonds (distance) P-C4' energy: -85.597 flat angles C4'-P-C4' energy: -87.828 flat angles P-C4'-P energy: -48.041 tors. eta vs tors. theta energy: -116.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1190.019870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.019870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.019870 (E_RNA) where: Base-Base interactions energy: -802.523 where: short stacking energy: -355.806 Base-Backbone interact. energy: -1.632 local terms energy: -385.864610 where: bonds (distance) C4'-P energy: -62.630 bonds (distance) P-C4' energy: -81.657 flat angles C4'-P-C4' energy: -75.219 flat angles P-C4'-P energy: -63.039 tors. eta vs tors. theta energy: -103.320 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: 7 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1192.441065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.441065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.441065 (E_RNA) where: Base-Base interactions energy: -808.180 where: short stacking energy: -348.096 Base-Backbone interact. energy: -0.553 local terms energy: -383.708002 where: bonds (distance) C4'-P energy: -72.351 bonds (distance) P-C4' energy: -70.048 flat angles C4'-P-C4' energy: -89.762 flat angles P-C4'-P energy: -52.469 tors. eta vs tors. theta energy: -99.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1012.215558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.215558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.215558 (E_RNA) where: Base-Base interactions energy: -658.261 where: short stacking energy: -306.285 Base-Backbone interact. energy: 0.683 local terms energy: -354.638087 where: bonds (distance) C4'-P energy: -77.345 bonds (distance) P-C4' energy: -65.241 flat angles C4'-P-C4' energy: -79.310 flat angles P-C4'-P energy: -45.906 tors. eta vs tors. theta energy: -86.836 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: 473 Temperature: 1.150000 Total energy: -982.506138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.506138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.506138 (E_RNA) where: Base-Base interactions energy: -643.625 where: short stacking energy: -272.126 Base-Backbone interact. energy: 0.324 local terms energy: -339.205715 where: bonds (distance) C4'-P energy: -73.698 bonds (distance) P-C4' energy: -84.769 flat angles C4'-P-C4' energy: -70.691 flat angles P-C4'-P energy: -43.064 tors. eta vs tors. theta energy: -66.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -669.165111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.165111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.165111 (E_RNA) where: Base-Base interactions energy: -392.202 where: short stacking energy: -203.110 Base-Backbone interact. energy: -0.768 local terms energy: -276.194604 where: bonds (distance) C4'-P energy: -68.219 bonds (distance) P-C4' energy: -70.480 flat angles C4'-P-C4' energy: -66.015 flat angles P-C4'-P energy: -35.909 tors. eta vs tors. theta energy: -35.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -633.979564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.979564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.979564 (E_RNA) where: Base-Base interactions energy: -361.045 where: short stacking energy: -188.247 Base-Backbone interact. energy: -1.849 local terms energy: -271.085400 where: bonds (distance) C4'-P energy: -59.389 bonds (distance) P-C4' energy: -74.685 flat angles C4'-P-C4' energy: -72.471 flat angles P-C4'-P energy: -28.799 tors. eta vs tors. theta energy: -35.741 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: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -520.208720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.208720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.208720 (E_RNA) where: Base-Base interactions energy: -278.183 where: short stacking energy: -148.822 Base-Backbone interact. energy: 1.644 local terms energy: -243.670132 where: bonds (distance) C4'-P energy: -57.071 bonds (distance) P-C4' energy: -68.709 flat angles C4'-P-C4' energy: -58.324 flat angles P-C4'-P energy: -48.124 tors. eta vs tors. theta energy: -11.441 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: 8 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -484.639204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.639204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.639204 (E_RNA) where: Base-Base interactions energy: -245.111 where: short stacking energy: -128.110 Base-Backbone interact. energy: 2.883 local terms energy: -242.410811 where: bonds (distance) C4'-P energy: -55.447 bonds (distance) P-C4' energy: -74.374 flat angles C4'-P-C4' energy: -64.443 flat angles P-C4'-P energy: -34.741 tors. eta vs tors. theta energy: -13.406 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: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1361.153174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.153174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.153174 (E_RNA) where: Base-Base interactions energy: -918.764 where: short stacking energy: -437.625 Base-Backbone interact. energy: 0.380 local terms energy: -442.769116 where: bonds (distance) C4'-P energy: -82.008 bonds (distance) P-C4' energy: -83.712 flat angles C4'-P-C4' energy: -88.560 flat angles P-C4'-P energy: -56.399 tors. eta vs tors. theta energy: -132.090 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: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1285.898464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.898464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.898464 (E_RNA) where: Base-Base interactions energy: -883.740 where: short stacking energy: -372.982 Base-Backbone interact. energy: -0.248 local terms energy: -401.910275 where: bonds (distance) C4'-P energy: -75.142 bonds (distance) P-C4' energy: -86.865 flat angles C4'-P-C4' energy: -84.047 flat angles P-C4'-P energy: -50.320 tors. eta vs tors. theta energy: -105.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1233.068873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.068873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.068873 (E_RNA) where: Base-Base interactions energy: -814.783 where: short stacking energy: -352.569 Base-Backbone interact. energy: -1.056 local terms energy: -417.229801 where: bonds (distance) C4'-P energy: -81.793 bonds (distance) P-C4' energy: -77.965 flat angles C4'-P-C4' energy: -86.713 flat angles P-C4'-P energy: -62.905 tors. eta vs tors. theta energy: -107.854 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: 4, replica: 9 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1156.225984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.225984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.225984 (E_RNA) where: Base-Base interactions energy: -778.960 where: short stacking energy: -351.159 Base-Backbone interact. energy: -0.092 local terms energy: -377.173937 where: bonds (distance) C4'-P energy: -70.347 bonds (distance) P-C4' energy: -66.614 flat angles C4'-P-C4' energy: -84.935 flat angles P-C4'-P energy: -53.670 tors. eta vs tors. theta energy: -101.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -981.890300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.890300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.890300 (E_RNA) where: Base-Base interactions energy: -633.775 where: short stacking energy: -287.073 Base-Backbone interact. energy: 2.335 local terms energy: -350.450696 where: bonds (distance) C4'-P energy: -79.797 bonds (distance) P-C4' energy: -73.762 flat angles C4'-P-C4' energy: -77.269 flat angles P-C4'-P energy: -40.612 tors. eta vs tors. theta energy: -79.010 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: 6, replica: 4 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -958.329468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.329468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.329468 (E_RNA) where: Base-Base interactions energy: -638.095 where: short stacking energy: -283.248 Base-Backbone interact. energy: -0.609 local terms energy: -319.625161 where: bonds (distance) C4'-P energy: -62.796 bonds (distance) P-C4' energy: -63.620 flat angles C4'-P-C4' energy: -66.322 flat angles P-C4'-P energy: -46.833 tors. eta vs tors. theta energy: -80.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -677.027780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.027780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.027780 (E_RNA) where: Base-Base interactions energy: -385.189 where: short stacking energy: -214.874 Base-Backbone interact. energy: -1.710 local terms energy: -290.127944 where: bonds (distance) C4'-P energy: -63.286 bonds (distance) P-C4' energy: -66.999 flat angles C4'-P-C4' energy: -68.677 flat angles P-C4'-P energy: -46.300 tors. eta vs tors. theta energy: -44.866 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: 6 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -653.115026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.115026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.115026 (E_RNA) where: Base-Base interactions energy: -387.965 where: short stacking energy: -204.118 Base-Backbone interact. energy: 0.177 local terms energy: -265.327521 where: bonds (distance) C4'-P energy: -73.617 bonds (distance) P-C4' energy: -62.917 flat angles C4'-P-C4' energy: -57.895 flat angles P-C4'-P energy: -31.152 tors. eta vs tors. theta energy: -39.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -505.129884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.129884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.129884 (E_RNA) where: Base-Base interactions energy: -269.816 where: short stacking energy: -152.969 Base-Backbone interact. energy: 0.823 local terms energy: -236.136780 where: bonds (distance) C4'-P energy: -58.325 bonds (distance) P-C4' energy: -61.708 flat angles C4'-P-C4' energy: -56.719 flat angles P-C4'-P energy: -47.070 tors. eta vs tors. theta energy: -12.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -501.173842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.173842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.173842 (E_RNA) where: Base-Base interactions energy: -264.227 where: short stacking energy: -145.908 Base-Backbone interact. energy: 0.493 local terms energy: -237.439346 where: bonds (distance) C4'-P energy: -64.382 bonds (distance) P-C4' energy: -63.814 flat angles C4'-P-C4' energy: -61.806 flat angles P-C4'-P energy: -40.131 tors. eta vs tors. theta energy: -7.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1361.554104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.554104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.554104 (E_RNA) where: Base-Base interactions energy: -917.433 where: short stacking energy: -435.538 Base-Backbone interact. energy: -0.477 local terms energy: -443.644383 where: bonds (distance) C4'-P energy: -75.890 bonds (distance) P-C4' energy: -76.826 flat angles C4'-P-C4' energy: -88.471 flat angles P-C4'-P energy: -68.049 tors. eta vs tors. theta energy: -134.409 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: 1 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1268.262199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.262199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.262199 (E_RNA) where: Base-Base interactions energy: -871.308 where: short stacking energy: -362.619 Base-Backbone interact. energy: -0.887 local terms energy: -396.066961 where: bonds (distance) C4'-P energy: -80.355 bonds (distance) P-C4' energy: -73.599 flat angles C4'-P-C4' energy: -86.474 flat angles P-C4'-P energy: -56.195 tors. eta vs tors. theta energy: -99.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1215.750084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.750084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.750084 (E_RNA) where: Base-Base interactions energy: -846.684 where: short stacking energy: -362.115 Base-Backbone interact. energy: -0.273 local terms energy: -368.793196 where: bonds (distance) C4'-P energy: -63.421 bonds (distance) P-C4' energy: -86.888 flat angles C4'-P-C4' energy: -71.080 flat angles P-C4'-P energy: -43.229 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: 4, replica: 9 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1160.635286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.635286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.635286 (E_RNA) where: Base-Base interactions energy: -771.263 where: short stacking energy: -340.410 Base-Backbone interact. energy: -4.145 local terms energy: -385.227241 where: bonds (distance) C4'-P energy: -73.382 bonds (distance) P-C4' energy: -77.292 flat angles C4'-P-C4' energy: -89.050 flat angles P-C4'-P energy: -49.842 tors. eta vs tors. theta energy: -95.661 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: 5, replica: 2 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1013.655357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.655357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.655357 (E_RNA) where: Base-Base interactions energy: -660.697 where: short stacking energy: -295.708 Base-Backbone interact. energy: -1.013 local terms energy: -351.945323 where: bonds (distance) C4'-P energy: -76.348 bonds (distance) P-C4' energy: -79.934 flat angles C4'-P-C4' energy: -79.025 flat angles P-C4'-P energy: -39.780 tors. eta vs tors. theta energy: -76.857 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: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -972.864819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.864819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.864819 (E_RNA) where: Base-Base interactions energy: -642.910 where: short stacking energy: -289.377 Base-Backbone interact. energy: -1.414 local terms energy: -328.540842 where: bonds (distance) C4'-P energy: -66.827 bonds (distance) P-C4' energy: -74.154 flat angles C4'-P-C4' energy: -69.050 flat angles P-C4'-P energy: -35.270 tors. eta vs tors. theta energy: -83.240 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: 7, replica: 5 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -672.366832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.366832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.366832 (E_RNA) where: Base-Base interactions energy: -395.316 where: short stacking energy: -203.548 Base-Backbone interact. energy: -2.512 local terms energy: -274.539265 where: bonds (distance) C4'-P energy: -75.147 bonds (distance) P-C4' energy: -70.462 flat angles C4'-P-C4' energy: -66.436 flat angles P-C4'-P energy: -36.996 tors. eta vs tors. theta energy: -25.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -648.397551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.397551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.397551 (E_RNA) where: Base-Base interactions energy: -384.485 where: short stacking energy: -193.232 Base-Backbone interact. energy: 0.427 local terms energy: -264.339816 where: bonds (distance) C4'-P energy: -52.376 bonds (distance) P-C4' energy: -72.726 flat angles C4'-P-C4' energy: -68.912 flat angles P-C4'-P energy: -40.188 tors. eta vs tors. theta energy: -30.137 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: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -520.714702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.714702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.714702 (E_RNA) where: Base-Base interactions energy: -267.060 where: short stacking energy: -137.484 Base-Backbone interact. energy: -0.898 local terms energy: -252.756549 where: bonds (distance) C4'-P energy: -66.717 bonds (distance) P-C4' energy: -82.330 flat angles C4'-P-C4' energy: -55.015 flat angles P-C4'-P energy: -30.090 tors. eta vs tors. theta energy: -18.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -496.174800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.174800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.174800 (E_RNA) where: Base-Base interactions energy: -248.304 where: short stacking energy: -141.768 Base-Backbone interact. energy: 0.425 local terms energy: -248.296326 where: bonds (distance) C4'-P energy: -80.012 bonds (distance) P-C4' energy: -67.707 flat angles C4'-P-C4' energy: -67.567 flat angles P-C4'-P energy: -30.643 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1369.973685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.973685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.973685 (E_RNA) where: Base-Base interactions energy: -919.054 where: short stacking energy: -438.456 Base-Backbone interact. energy: 1.295 local terms energy: -452.214259 where: bonds (distance) C4'-P energy: -76.437 bonds (distance) P-C4' energy: -82.684 flat angles C4'-P-C4' energy: -101.806 flat angles P-C4'-P energy: -60.774 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: 2, replica: 1 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1280.026863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.026863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.026863 (E_RNA) where: Base-Base interactions energy: -857.215 where: short stacking energy: -382.203 Base-Backbone interact. energy: -1.690 local terms energy: -421.121924 where: bonds (distance) C4'-P energy: -78.666 bonds (distance) P-C4' energy: -76.206 flat angles C4'-P-C4' energy: -84.817 flat angles P-C4'-P energy: -61.225 tors. eta vs tors. theta energy: -120.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1243.708439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.708439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.708439 (E_RNA) where: Base-Base interactions energy: -840.961 where: short stacking energy: -364.024 Base-Backbone interact. energy: -1.719 local terms energy: -401.028725 where: bonds (distance) C4'-P energy: -76.911 bonds (distance) P-C4' energy: -72.241 flat angles C4'-P-C4' energy: -83.026 flat angles P-C4'-P energy: -60.973 tors. eta vs tors. theta energy: -107.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1179.310596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.310596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.310596 (E_RNA) where: Base-Base interactions energy: -770.502 where: short stacking energy: -362.011 Base-Backbone interact. energy: -0.554 local terms energy: -408.254040 where: bonds (distance) C4'-P energy: -80.105 bonds (distance) P-C4' energy: -69.017 flat angles C4'-P-C4' energy: -83.555 flat angles P-C4'-P energy: -66.087 tors. eta vs tors. theta energy: -109.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -995.797667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.797667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.797667 (E_RNA) where: Base-Base interactions energy: -646.932 where: short stacking energy: -316.445 Base-Backbone interact. energy: 0.148 local terms energy: -349.013597 where: bonds (distance) C4'-P energy: -78.305 bonds (distance) P-C4' energy: -67.753 flat angles C4'-P-C4' energy: -66.599 flat angles P-C4'-P energy: -53.285 tors. eta vs tors. theta energy: -83.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1002.674836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.674836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.674836 (E_RNA) where: Base-Base interactions energy: -670.305 where: short stacking energy: -294.445 Base-Backbone interact. energy: 0.522 local terms energy: -332.891862 where: bonds (distance) C4'-P energy: -71.553 bonds (distance) P-C4' energy: -61.885 flat angles C4'-P-C4' energy: -81.902 flat angles P-C4'-P energy: -51.973 tors. eta vs tors. theta energy: -65.579 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: 7, replica: 6 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -647.298085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.298085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.298085 (E_RNA) where: Base-Base interactions energy: -360.774 where: short stacking energy: -190.743 Base-Backbone interact. energy: 0.292 local terms energy: -286.816060 where: bonds (distance) C4'-P energy: -80.768 bonds (distance) P-C4' energy: -59.257 flat angles C4'-P-C4' energy: -65.392 flat angles P-C4'-P energy: -52.491 tors. eta vs tors. theta energy: -28.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -627.379204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.379204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.379204 (E_RNA) where: Base-Base interactions energy: -348.799 where: short stacking energy: -175.590 Base-Backbone interact. energy: 0.093 local terms energy: -278.672783 where: bonds (distance) C4'-P energy: -68.944 bonds (distance) P-C4' energy: -70.767 flat angles C4'-P-C4' energy: -60.467 flat angles P-C4'-P energy: -52.405 tors. eta vs tors. theta energy: -26.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -521.059569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.059569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.059569 (E_RNA) where: Base-Base interactions energy: -260.343 where: short stacking energy: -132.469 Base-Backbone interact. energy: 0.216 local terms energy: -260.932462 where: bonds (distance) C4'-P energy: -71.385 bonds (distance) P-C4' energy: -73.787 flat angles C4'-P-C4' energy: -70.178 flat angles P-C4'-P energy: -36.386 tors. eta vs tors. theta energy: -9.195 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: 476 Temperature: 1.350000 Total energy: -525.493587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.493587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.493587 (E_RNA) where: Base-Base interactions energy: -279.936 where: short stacking energy: -167.705 Base-Backbone interact. energy: 6.946 local terms energy: -252.504447 where: bonds (distance) C4'-P energy: -63.132 bonds (distance) P-C4' energy: -65.553 flat angles C4'-P-C4' energy: -55.174 flat angles P-C4'-P energy: -32.768 tors. eta vs tors. theta energy: -35.878 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: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1342.201467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.201467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.201467 (E_RNA) where: Base-Base interactions energy: -913.249 where: short stacking energy: -421.752 Base-Backbone interact. energy: -0.661 local terms energy: -428.291413 where: bonds (distance) C4'-P energy: -74.558 bonds (distance) P-C4' energy: -76.032 flat angles C4'-P-C4' energy: -88.376 flat angles P-C4'-P energy: -58.529 tors. eta vs tors. theta energy: -130.797 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: 1 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1253.797093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.797093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.797093 (E_RNA) where: Base-Base interactions energy: -852.680 where: short stacking energy: -370.004 Base-Backbone interact. energy: 2.603 local terms energy: -403.720528 where: bonds (distance) C4'-P energy: -80.904 bonds (distance) P-C4' energy: -80.703 flat angles C4'-P-C4' energy: -89.128 flat angles P-C4'-P energy: -57.789 tors. eta vs tors. theta energy: -95.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1230.762356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.762356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.762356 (E_RNA) where: Base-Base interactions energy: -850.585 where: short stacking energy: -389.830 Base-Backbone interact. energy: 1.011 local terms energy: -381.189181 where: bonds (distance) C4'-P energy: -76.527 bonds (distance) P-C4' energy: -67.206 flat angles C4'-P-C4' energy: -79.542 flat angles P-C4'-P energy: -47.820 tors. eta vs tors. theta energy: -110.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1123.320058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.320058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.320058 (E_RNA) where: Base-Base interactions energy: -739.421 where: short stacking energy: -335.685 Base-Backbone interact. energy: -0.427 local terms energy: -383.471518 where: bonds (distance) C4'-P energy: -66.304 bonds (distance) P-C4' energy: -84.646 flat angles C4'-P-C4' energy: -83.151 flat angles P-C4'-P energy: -49.242 tors. eta vs tors. theta energy: -100.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1075.696457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.696457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.696457 (E_RNA) where: Base-Base interactions energy: -701.318 where: short stacking energy: -333.560 Base-Backbone interact. energy: -0.795 local terms energy: -373.583740 where: bonds (distance) C4'-P energy: -65.830 bonds (distance) P-C4' energy: -63.745 flat angles C4'-P-C4' energy: -83.758 flat angles P-C4'-P energy: -55.141 tors. eta vs tors. theta energy: -105.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1002.268870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.268870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.268870 (E_RNA) where: Base-Base interactions energy: -643.824 where: short stacking energy: -304.418 Base-Backbone interact. energy: -1.485 local terms energy: -356.959837 where: bonds (distance) C4'-P energy: -75.555 bonds (distance) P-C4' energy: -65.856 flat angles C4'-P-C4' energy: -80.677 flat angles P-C4'-P energy: -41.539 tors. eta vs tors. theta energy: -93.332 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: 7, replica: 6 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -636.325631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.325631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.325631 (E_RNA) where: Base-Base interactions energy: -341.678 where: short stacking energy: -185.666 Base-Backbone interact. energy: 1.438 local terms energy: -296.085585 where: bonds (distance) C4'-P energy: -66.336 bonds (distance) P-C4' energy: -70.250 flat angles C4'-P-C4' energy: -74.977 flat angles P-C4'-P energy: -52.248 tors. eta vs tors. theta energy: -32.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -655.754079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.754079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.754079 (E_RNA) where: Base-Base interactions energy: -368.709 where: short stacking energy: -197.635 Base-Backbone interact. energy: -0.370 local terms energy: -286.675104 where: bonds (distance) C4'-P energy: -75.837 bonds (distance) P-C4' energy: -69.815 flat angles C4'-P-C4' energy: -59.072 flat angles P-C4'-P energy: -44.218 tors. eta vs tors. theta energy: -37.733 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: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -577.022411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.022411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.022411 (E_RNA) where: Base-Base interactions energy: -332.363 where: short stacking energy: -180.977 Base-Backbone interact. energy: -0.523 local terms energy: -244.135838 where: bonds (distance) C4'-P energy: -53.199 bonds (distance) P-C4' energy: -72.803 flat angles C4'-P-C4' energy: -54.128 flat angles P-C4'-P energy: -46.852 tors. eta vs tors. theta energy: -17.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -403.174811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.174811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.174811 (E_RNA) where: Base-Base interactions energy: -197.830 where: short stacking energy: -120.094 Base-Backbone interact. energy: 1.713 local terms energy: -207.057205 where: bonds (distance) C4'-P energy: -48.366 bonds (distance) P-C4' energy: -62.709 flat angles C4'-P-C4' energy: -59.586 flat angles P-C4'-P energy: -38.750 tors. eta vs tors. theta energy: 2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1366.694862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.694862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.694862 (E_RNA) where: Base-Base interactions energy: -925.184 where: short stacking energy: -441.693 Base-Backbone interact. energy: -0.504 local terms energy: -441.007394 where: bonds (distance) C4'-P energy: -71.271 bonds (distance) P-C4' energy: -85.660 flat angles C4'-P-C4' energy: -90.642 flat angles P-C4'-P energy: -62.993 tors. eta vs tors. theta energy: -130.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1284.410412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.410412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.410412 (E_RNA) where: Base-Base interactions energy: -871.390 where: short stacking energy: -394.969 Base-Backbone interact. energy: -0.332 local terms energy: -412.687885 where: bonds (distance) C4'-P energy: -67.806 bonds (distance) P-C4' energy: -82.468 flat angles C4'-P-C4' energy: -91.183 flat angles P-C4'-P energy: -61.857 tors. eta vs tors. theta energy: -109.373 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: 7 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1219.133594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.133594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.133594 (E_RNA) where: Base-Base interactions energy: -830.183 where: short stacking energy: -351.970 Base-Backbone interact. energy: -0.897 local terms energy: -388.053929 where: bonds (distance) C4'-P energy: -67.599 bonds (distance) P-C4' energy: -88.101 flat angles C4'-P-C4' energy: -86.315 flat angles P-C4'-P energy: -47.294 tors. eta vs tors. theta energy: -98.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1129.730299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.730299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.730299 (E_RNA) where: Base-Base interactions energy: -763.967 where: short stacking energy: -345.496 Base-Backbone interact. energy: -1.901 local terms energy: -363.862639 where: bonds (distance) C4'-P energy: -76.737 bonds (distance) P-C4' energy: -73.036 flat angles C4'-P-C4' energy: -82.920 flat angles P-C4'-P energy: -35.232 tors. eta vs tors. theta energy: -95.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1077.920272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.920272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.920272 (E_RNA) where: Base-Base interactions energy: -700.780 where: short stacking energy: -346.355 Base-Backbone interact. energy: -1.605 local terms energy: -375.536021 where: bonds (distance) C4'-P energy: -80.284 bonds (distance) P-C4' energy: -84.449 flat angles C4'-P-C4' energy: -76.361 flat angles P-C4'-P energy: -45.754 tors. eta vs tors. theta energy: -88.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1003.207715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.207715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.207715 (E_RNA) where: Base-Base interactions energy: -621.001 where: short stacking energy: -273.963 Base-Backbone interact. energy: -0.548 local terms energy: -381.659221 where: bonds (distance) C4'-P energy: -69.275 bonds (distance) P-C4' energy: -85.569 flat angles C4'-P-C4' energy: -85.861 flat angles P-C4'-P energy: -57.089 tors. eta vs tors. theta energy: -83.866 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: 5 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -690.815805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.815805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.815805 (E_RNA) where: Base-Base interactions energy: -411.897 where: short stacking energy: -207.476 Base-Backbone interact. energy: -1.018 local terms energy: -277.900715 where: bonds (distance) C4'-P energy: -67.282 bonds (distance) P-C4' energy: -67.479 flat angles C4'-P-C4' energy: -66.322 flat angles P-C4'-P energy: -47.942 tors. eta vs tors. theta energy: -28.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -607.979792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.979792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.979792 (E_RNA) where: Base-Base interactions energy: -349.576 where: short stacking energy: -170.683 Base-Backbone interact. energy: -1.153 local terms energy: -257.250553 where: bonds (distance) C4'-P energy: -70.902 bonds (distance) P-C4' energy: -72.073 flat angles C4'-P-C4' energy: -41.963 flat angles P-C4'-P energy: -40.226 tors. eta vs tors. theta energy: -32.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -565.386673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.386673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.386673 (E_RNA) where: Base-Base interactions energy: -290.993 where: short stacking energy: -160.426 Base-Backbone interact. energy: 3.727 local terms energy: -278.120402 where: bonds (distance) C4'-P energy: -68.743 bonds (distance) P-C4' energy: -77.324 flat angles C4'-P-C4' energy: -68.249 flat angles P-C4'-P energy: -48.310 tors. eta vs tors. theta energy: -15.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -404.723980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.723980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.723980 (E_RNA) where: Base-Base interactions energy: -189.438 where: short stacking energy: -105.847 Base-Backbone interact. energy: 3.118 local terms energy: -218.404692 where: bonds (distance) C4'-P energy: -65.141 bonds (distance) P-C4' energy: -77.578 flat angles C4'-P-C4' energy: -57.342 flat angles P-C4'-P energy: -21.792 tors. eta vs tors. theta energy: 3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1370.876820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.876820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.876820 (E_RNA) where: Base-Base interactions energy: -943.125 where: short stacking energy: -425.641 Base-Backbone interact. energy: -1.314 local terms energy: -426.437971 where: bonds (distance) C4'-P energy: -70.260 bonds (distance) P-C4' energy: -87.868 flat angles C4'-P-C4' energy: -81.052 flat angles P-C4'-P energy: -57.069 tors. eta vs tors. theta energy: -130.189 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: 1 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1268.903776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.903776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.903776 (E_RNA) where: Base-Base interactions energy: -862.015 where: short stacking energy: -376.866 Base-Backbone interact. energy: 1.068 local terms energy: -407.957519 where: bonds (distance) C4'-P energy: -78.979 bonds (distance) P-C4' energy: -81.352 flat angles C4'-P-C4' energy: -89.439 flat angles P-C4'-P energy: -50.244 tors. eta vs tors. theta energy: -107.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1264.671535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.671535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.671535 (E_RNA) where: Base-Base interactions energy: -846.493 where: short stacking energy: -377.999 Base-Backbone interact. energy: -1.724 local terms energy: -416.455427 where: bonds (distance) C4'-P energy: -75.283 bonds (distance) P-C4' energy: -80.812 flat angles C4'-P-C4' energy: -87.811 flat angles P-C4'-P energy: -58.475 tors. eta vs tors. theta energy: -114.075 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: 2 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1140.674277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.674277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.674277 (E_RNA) where: Base-Base interactions energy: -743.970 where: short stacking energy: -349.744 Base-Backbone interact. energy: -2.205 local terms energy: -394.498904 where: bonds (distance) C4'-P energy: -75.765 bonds (distance) P-C4' energy: -66.985 flat angles C4'-P-C4' energy: -86.893 flat angles P-C4'-P energy: -62.826 tors. eta vs tors. theta energy: -102.030 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: 9 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1110.013550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.013550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.013550 (E_RNA) where: Base-Base interactions energy: -745.677 where: short stacking energy: -321.545 Base-Backbone interact. energy: 2.137 local terms energy: -366.473102 where: bonds (distance) C4'-P energy: -65.082 bonds (distance) P-C4' energy: -78.200 flat angles C4'-P-C4' energy: -79.310 flat angles P-C4'-P energy: -53.334 tors. eta vs tors. theta energy: -90.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -961.650150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.650150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.650150 (E_RNA) where: Base-Base interactions energy: -584.445 where: short stacking energy: -261.499 Base-Backbone interact. energy: -1.696 local terms energy: -375.509093 where: bonds (distance) C4'-P energy: -82.655 bonds (distance) P-C4' energy: -75.309 flat angles C4'-P-C4' energy: -76.244 flat angles P-C4'-P energy: -61.361 tors. eta vs tors. theta energy: -79.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -773.448061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.448061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.448061 (E_RNA) where: Base-Base interactions energy: -465.351 where: short stacking energy: -228.006 Base-Backbone interact. energy: -0.288 local terms energy: -307.809338 where: bonds (distance) C4'-P energy: -69.282 bonds (distance) P-C4' energy: -66.695 flat angles C4'-P-C4' energy: -76.104 flat angles P-C4'-P energy: -47.473 tors. eta vs tors. theta energy: -48.255 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: 8, replica: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -632.925839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.925839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.925839 (E_RNA) where: Base-Base interactions energy: -338.651 where: short stacking energy: -196.532 Base-Backbone interact. energy: 1.605 local terms energy: -295.879598 where: bonds (distance) C4'-P energy: -72.090 bonds (distance) P-C4' energy: -74.335 flat angles C4'-P-C4' energy: -61.140 flat angles P-C4'-P energy: -47.187 tors. eta vs tors. theta energy: -41.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -455.903938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.903938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.903938 (E_RNA) where: Base-Base interactions energy: -232.246 where: short stacking energy: -121.468 Base-Backbone interact. energy: -1.353 local terms energy: -222.304532 where: bonds (distance) C4'-P energy: -67.776 bonds (distance) P-C4' energy: -73.208 flat angles C4'-P-C4' energy: -48.768 flat angles P-C4'-P energy: -29.833 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -409.409954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.409954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.409954 (E_RNA) where: Base-Base interactions energy: -178.764 where: short stacking energy: -109.826 Base-Backbone interact. energy: -0.993 local terms energy: -229.653189 where: bonds (distance) C4'-P energy: -64.824 bonds (distance) P-C4' energy: -68.449 flat angles C4'-P-C4' energy: -56.634 flat angles P-C4'-P energy: -34.895 tors. eta vs tors. theta energy: -4.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1375.826738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.826738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.826738 (E_RNA) where: Base-Base interactions energy: -941.052 where: short stacking energy: -434.386 Base-Backbone interact. energy: 1.120 local terms energy: -435.894764 where: bonds (distance) C4'-P energy: -82.616 bonds (distance) P-C4' energy: -80.501 flat angles C4'-P-C4' energy: -85.501 flat angles P-C4'-P energy: -56.037 tors. eta vs tors. theta energy: -131.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1263.223509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.223509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.223509 (E_RNA) where: Base-Base interactions energy: -862.128 where: short stacking energy: -394.113 Base-Backbone interact. energy: -0.753 local terms energy: -400.342071 where: bonds (distance) C4'-P energy: -69.634 bonds (distance) P-C4' energy: -86.729 flat angles C4'-P-C4' energy: -82.619 flat angles P-C4'-P energy: -51.809 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: 3, replica: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1248.626758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.626758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.626758 (E_RNA) where: Base-Base interactions energy: -836.048 where: short stacking energy: -370.024 Base-Backbone interact. energy: -0.121 local terms energy: -412.457673 where: bonds (distance) C4'-P energy: -78.207 bonds (distance) P-C4' energy: -76.163 flat angles C4'-P-C4' energy: -84.468 flat angles P-C4'-P energy: -63.316 tors. eta vs tors. theta energy: -110.303 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: 2 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1119.494655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.494655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.494655 (E_RNA) where: Base-Base interactions energy: -733.938 where: short stacking energy: -344.784 Base-Backbone interact. energy: -2.629 local terms energy: -382.927792 where: bonds (distance) C4'-P energy: -74.812 bonds (distance) P-C4' energy: -79.359 flat angles C4'-P-C4' energy: -68.885 flat angles P-C4'-P energy: -58.782 tors. eta vs tors. theta energy: -101.089 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: 9 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1118.942584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.942584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.942584 (E_RNA) where: Base-Base interactions energy: -735.864 where: short stacking energy: -344.720 Base-Backbone interact. energy: -2.802 local terms energy: -380.276770 where: bonds (distance) C4'-P energy: -66.487 bonds (distance) P-C4' energy: -78.199 flat angles C4'-P-C4' energy: -79.463 flat angles P-C4'-P energy: -59.723 tors. eta vs tors. theta energy: -96.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -949.144348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.144348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.144348 (E_RNA) where: Base-Base interactions energy: -610.468 where: short stacking energy: -263.564 Base-Backbone interact. energy: 1.883 local terms energy: -340.559575 where: bonds (distance) C4'-P energy: -76.149 bonds (distance) P-C4' energy: -69.319 flat angles C4'-P-C4' energy: -73.775 flat angles P-C4'-P energy: -50.427 tors. eta vs tors. theta energy: -70.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -742.224612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.224612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.224612 (E_RNA) where: Base-Base interactions energy: -433.497 where: short stacking energy: -222.189 Base-Backbone interact. energy: 0.571 local terms energy: -309.298222 where: bonds (distance) C4'-P energy: -75.162 bonds (distance) P-C4' energy: -68.901 flat angles C4'-P-C4' energy: -76.222 flat angles P-C4'-P energy: -56.886 tors. eta vs tors. theta energy: -32.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -626.015000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.015000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.015000 (E_RNA) where: Base-Base interactions energy: -347.829 where: short stacking energy: -171.546 Base-Backbone interact. energy: 0.597 local terms energy: -278.782420 where: bonds (distance) C4'-P energy: -71.368 bonds (distance) P-C4' energy: -69.248 flat angles C4'-P-C4' energy: -78.889 flat angles P-C4'-P energy: -36.689 tors. eta vs tors. theta energy: -22.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -483.211559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.211559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.211559 (E_RNA) where: Base-Base interactions energy: -238.047 where: short stacking energy: -130.839 Base-Backbone interact. energy: 12.308 local terms energy: -257.472374 where: bonds (distance) C4'-P energy: -72.037 bonds (distance) P-C4' energy: -63.852 flat angles C4'-P-C4' energy: -68.750 flat angles P-C4'-P energy: -41.759 tors. eta vs tors. theta energy: -11.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -376.012710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.012710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.012710 (E_RNA) where: Base-Base interactions energy: -135.752 where: short stacking energy: -92.242 Base-Backbone interact. energy: 1.583 local terms energy: -241.843745 where: bonds (distance) C4'-P energy: -74.321 bonds (distance) P-C4' energy: -74.922 flat angles C4'-P-C4' energy: -68.581 flat angles P-C4'-P energy: -29.245 tors. eta vs tors. theta energy: 5.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1385.486805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.486805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.486805 (E_RNA) where: Base-Base interactions energy: -951.285 where: short stacking energy: -412.877 Base-Backbone interact. energy: -1.800 local terms energy: -432.401871 where: bonds (distance) C4'-P energy: -74.079 bonds (distance) P-C4' energy: -80.102 flat angles C4'-P-C4' energy: -85.563 flat angles P-C4'-P energy: -63.283 tors. eta vs tors. theta energy: -129.376 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: 1 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1308.045337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.045337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.045337 (E_RNA) where: Base-Base interactions energy: -888.110 where: short stacking energy: -384.130 Base-Backbone interact. energy: -1.462 local terms energy: -418.473050 where: bonds (distance) C4'-P energy: -81.519 bonds (distance) P-C4' energy: -75.788 flat angles C4'-P-C4' energy: -80.191 flat angles P-C4'-P energy: -66.626 tors. eta vs tors. theta energy: -114.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1231.829312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.829312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.829312 (E_RNA) where: Base-Base interactions energy: -830.272 where: short stacking energy: -374.639 Base-Backbone interact. energy: -0.733 local terms energy: -400.825178 where: bonds (distance) C4'-P energy: -78.087 bonds (distance) P-C4' energy: -78.501 flat angles C4'-P-C4' energy: -90.186 flat angles P-C4'-P energy: -52.444 tors. eta vs tors. theta energy: -101.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1111.521335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.521335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.521335 (E_RNA) where: Base-Base interactions energy: -743.472 where: short stacking energy: -348.710 Base-Backbone interact. energy: 0.478 local terms energy: -368.526986 where: bonds (distance) C4'-P energy: -68.719 bonds (distance) P-C4' energy: -73.523 flat angles C4'-P-C4' energy: -75.815 flat angles P-C4'-P energy: -50.460 tors. eta vs tors. theta energy: -100.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1103.491097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.491097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.491097 (E_RNA) where: Base-Base interactions energy: -735.665 where: short stacking energy: -341.383 Base-Backbone interact. energy: -0.395 local terms energy: -367.431250 where: bonds (distance) C4'-P energy: -66.883 bonds (distance) P-C4' energy: -75.106 flat angles C4'-P-C4' energy: -72.214 flat angles P-C4'-P energy: -59.088 tors. eta vs tors. theta energy: -94.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -939.374604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.374604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.374604 (E_RNA) where: Base-Base interactions energy: -578.838 where: short stacking energy: -257.053 Base-Backbone interact. energy: -0.825 local terms energy: -359.711778 where: bonds (distance) C4'-P energy: -67.079 bonds (distance) P-C4' energy: -87.070 flat angles C4'-P-C4' energy: -81.797 flat angles P-C4'-P energy: -47.862 tors. eta vs tors. theta energy: -75.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -753.969630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.969630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.969630 (E_RNA) where: Base-Base interactions energy: -471.912 where: short stacking energy: -218.322 Base-Backbone interact. energy: -1.606 local terms energy: -280.451699 where: bonds (distance) C4'-P energy: -71.531 bonds (distance) P-C4' energy: -68.993 flat angles C4'-P-C4' energy: -71.032 flat angles P-C4'-P energy: -40.651 tors. eta vs tors. theta energy: -28.244 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: 8, replica: 6 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -606.724281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.724281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.724281 (E_RNA) where: Base-Base interactions energy: -344.583 where: short stacking energy: -198.216 Base-Backbone interact. energy: -0.828 local terms energy: -261.312941 where: bonds (distance) C4'-P energy: -72.095 bonds (distance) P-C4' energy: -60.503 flat angles C4'-P-C4' energy: -68.828 flat angles P-C4'-P energy: -33.247 tors. eta vs tors. theta energy: -26.640 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: 481 Temperature: 1.300000 Total energy: -436.319211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.319211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.319211 (E_RNA) where: Base-Base interactions energy: -198.995 where: short stacking energy: -112.948 Base-Backbone interact. energy: 3.219 local terms energy: -240.543401 where: bonds (distance) C4'-P energy: -82.437 bonds (distance) P-C4' energy: -72.040 flat angles C4'-P-C4' energy: -63.361 flat angles P-C4'-P energy: -30.933 tors. eta vs tors. theta energy: 8.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -405.015169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.015169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.015169 (E_RNA) where: Base-Base interactions energy: -174.204 where: short stacking energy: -119.425 Base-Backbone interact. energy: 4.366 local terms energy: -235.177744 where: bonds (distance) C4'-P energy: -58.441 bonds (distance) P-C4' energy: -79.309 flat angles C4'-P-C4' energy: -65.273 flat angles P-C4'-P energy: -28.946 tors. eta vs tors. theta energy: -3.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1359.103301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.103301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.103301 (E_RNA) where: Base-Base interactions energy: -911.262 where: short stacking energy: -397.593 Base-Backbone interact. energy: -0.848 local terms energy: -446.993619 where: bonds (distance) C4'-P energy: -81.815 bonds (distance) P-C4' energy: -78.017 flat angles C4'-P-C4' energy: -95.029 flat angles P-C4'-P energy: -63.239 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: 1 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1285.269856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.269856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.269856 (E_RNA) where: Base-Base interactions energy: -869.521 where: short stacking energy: -393.024 Base-Backbone interact. energy: -1.095 local terms energy: -414.653756 where: bonds (distance) C4'-P energy: -72.483 bonds (distance) P-C4' energy: -76.810 flat angles C4'-P-C4' energy: -96.034 flat angles P-C4'-P energy: -56.344 tors. eta vs tors. theta energy: -112.983 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: 7 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1240.898882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.898882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.898882 (E_RNA) where: Base-Base interactions energy: -833.254 where: short stacking energy: -365.942 Base-Backbone interact. energy: -1.142 local terms energy: -406.502356 where: bonds (distance) C4'-P energy: -78.935 bonds (distance) P-C4' energy: -90.094 flat angles C4'-P-C4' energy: -81.806 flat angles P-C4'-P energy: -48.419 tors. eta vs tors. theta energy: -107.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1131.039370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.039370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.039370 (E_RNA) where: Base-Base interactions energy: -748.889 where: short stacking energy: -360.200 Base-Backbone interact. energy: -0.956 local terms energy: -381.194380 where: bonds (distance) C4'-P energy: -78.182 bonds (distance) P-C4' energy: -71.826 flat angles C4'-P-C4' energy: -79.320 flat angles P-C4'-P energy: -48.892 tors. eta vs tors. theta energy: -102.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1069.337998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.337998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.337998 (E_RNA) where: Base-Base interactions energy: -710.044 where: short stacking energy: -323.766 Base-Backbone interact. energy: -3.752 local terms energy: -355.541314 where: bonds (distance) C4'-P energy: -76.508 bonds (distance) P-C4' energy: -69.701 flat angles C4'-P-C4' energy: -72.094 flat angles P-C4'-P energy: -43.534 tors. eta vs tors. theta energy: -93.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -953.035526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.035526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.035526 (E_RNA) where: Base-Base interactions energy: -594.833 where: short stacking energy: -278.558 Base-Backbone interact. energy: -1.931 local terms energy: -356.271799 where: bonds (distance) C4'-P energy: -64.342 bonds (distance) P-C4' energy: -81.283 flat angles C4'-P-C4' energy: -74.376 flat angles P-C4'-P energy: -51.083 tors. eta vs tors. theta energy: -85.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -743.427972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.427972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.427972 (E_RNA) where: Base-Base interactions energy: -437.901 where: short stacking energy: -207.635 Base-Backbone interact. energy: -2.055 local terms energy: -303.472731 where: bonds (distance) C4'-P energy: -65.895 bonds (distance) P-C4' energy: -79.421 flat angles C4'-P-C4' energy: -68.497 flat angles P-C4'-P energy: -50.116 tors. eta vs tors. theta energy: -39.543 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: 6 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -619.739461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.739461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.739461 (E_RNA) where: Base-Base interactions energy: -363.237 where: short stacking energy: -177.907 Base-Backbone interact. energy: 0.132 local terms energy: -256.634394 where: bonds (distance) C4'-P energy: -60.638 bonds (distance) P-C4' energy: -68.528 flat angles C4'-P-C4' energy: -68.240 flat angles P-C4'-P energy: -35.770 tors. eta vs tors. theta energy: -23.458 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: 482 Temperature: 1.300000 Total energy: -437.291538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.291538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.291538 (E_RNA) where: Base-Base interactions energy: -174.489 where: short stacking energy: -123.471 Base-Backbone interact. energy: -0.105 local terms energy: -262.697236 where: bonds (distance) C4'-P energy: -79.226 bonds (distance) P-C4' energy: -76.273 flat angles C4'-P-C4' energy: -59.918 flat angles P-C4'-P energy: -46.948 tors. eta vs tors. theta energy: -0.331 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: 10, replica: 3 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -415.757913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.757913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.757913 (E_RNA) where: Base-Base interactions energy: -195.534 where: short stacking energy: -114.920 Base-Backbone interact. energy: -1.894 local terms energy: -218.330179 where: bonds (distance) C4'-P energy: -68.598 bonds (distance) P-C4' energy: -59.868 flat angles C4'-P-C4' energy: -56.558 flat angles P-C4'-P energy: -37.570 tors. eta vs tors. theta energy: 4.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1367.663916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.663916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.663916 (E_RNA) where: Base-Base interactions energy: -900.275 where: short stacking energy: -434.339 Base-Backbone interact. energy: -1.143 local terms energy: -466.246491 where: bonds (distance) C4'-P energy: -82.427 bonds (distance) P-C4' energy: -88.916 flat angles C4'-P-C4' energy: -94.661 flat angles P-C4'-P energy: -64.707 tors. eta vs tors. theta energy: -135.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1265.991986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.991986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.991986 (E_RNA) where: Base-Base interactions energy: -850.133 where: short stacking energy: -377.809 Base-Backbone interact. energy: -1.323 local terms energy: -414.535611 where: bonds (distance) C4'-P energy: -79.908 bonds (distance) P-C4' energy: -81.973 flat angles C4'-P-C4' energy: -85.659 flat angles P-C4'-P energy: -59.604 tors. eta vs tors. theta energy: -107.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1251.544306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.544306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.544306 (E_RNA) where: Base-Base interactions energy: -849.910 where: short stacking energy: -375.670 Base-Backbone interact. energy: -0.358 local terms energy: -401.276368 where: bonds (distance) C4'-P energy: -81.901 bonds (distance) P-C4' energy: -71.992 flat angles C4'-P-C4' energy: -82.119 flat angles P-C4'-P energy: -52.031 tors. eta vs tors. theta energy: -113.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1149.930981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.930981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.930981 (E_RNA) where: Base-Base interactions energy: -759.209 where: short stacking energy: -350.717 Base-Backbone interact. energy: -0.534 local terms energy: -390.188103 where: bonds (distance) C4'-P energy: -77.095 bonds (distance) P-C4' energy: -72.392 flat angles C4'-P-C4' energy: -83.606 flat angles P-C4'-P energy: -55.644 tors. eta vs tors. theta energy: -101.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1036.899436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.899436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.899436 (E_RNA) where: Base-Base interactions energy: -666.402 where: short stacking energy: -313.208 Base-Backbone interact. energy: -1.216 local terms energy: -369.282027 where: bonds (distance) C4'-P energy: -70.051 bonds (distance) P-C4' energy: -76.862 flat angles C4'-P-C4' energy: -78.475 flat angles P-C4'-P energy: -59.672 tors. eta vs tors. theta energy: -84.221 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: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -930.863838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.863838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.863838 (E_RNA) where: Base-Base interactions energy: -595.088 where: short stacking energy: -280.088 Base-Backbone interact. energy: -1.876 local terms energy: -333.899835 where: bonds (distance) C4'-P energy: -55.317 bonds (distance) P-C4' energy: -84.441 flat angles C4'-P-C4' energy: -69.445 flat angles P-C4'-P energy: -52.027 tors. eta vs tors. theta energy: -72.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -779.571984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.571984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.571984 (E_RNA) where: Base-Base interactions energy: -462.690 where: short stacking energy: -234.765 Base-Backbone interact. energy: -2.050 local terms energy: -314.831193 where: bonds (distance) C4'-P energy: -75.794 bonds (distance) P-C4' energy: -76.324 flat angles C4'-P-C4' energy: -70.439 flat angles P-C4'-P energy: -50.112 tors. eta vs tors. theta energy: -42.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -636.221191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.221191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.221191 (E_RNA) where: Base-Base interactions energy: -365.130 where: short stacking energy: -160.582 Base-Backbone interact. energy: -1.400 local terms energy: -269.691500 where: bonds (distance) C4'-P energy: -58.649 bonds (distance) P-C4' energy: -77.526 flat angles C4'-P-C4' energy: -68.628 flat angles P-C4'-P energy: -47.878 tors. eta vs tors. theta energy: -17.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -446.361525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.361525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.361525 (E_RNA) where: Base-Base interactions energy: -213.305 where: short stacking energy: -116.748 Base-Backbone interact. energy: -0.963 local terms energy: -232.094279 where: bonds (distance) C4'-P energy: -55.043 bonds (distance) P-C4' energy: -76.245 flat angles C4'-P-C4' energy: -62.654 flat angles P-C4'-P energy: -37.683 tors. eta vs tors. theta energy: -0.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -425.292872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.292872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.292872 (E_RNA) where: Base-Base interactions energy: -204.207 where: short stacking energy: -125.554 Base-Backbone interact. energy: -1.501 local terms energy: -219.584678 where: bonds (distance) C4'-P energy: -44.676 bonds (distance) P-C4' energy: -78.405 flat angles C4'-P-C4' energy: -60.037 flat angles P-C4'-P energy: -31.310 tors. eta vs tors. theta energy: -5.157 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: 1, replica: 10 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1368.160903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.160903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.160903 (E_RNA) where: Base-Base interactions energy: -912.343 where: short stacking energy: -416.778 Base-Backbone interact. energy: -1.380 local terms energy: -454.437436 where: bonds (distance) C4'-P energy: -76.219 bonds (distance) P-C4' energy: -91.716 flat angles C4'-P-C4' energy: -84.261 flat angles P-C4'-P energy: -66.049 tors. eta vs tors. theta energy: -136.193 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: 1 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1263.401035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.401035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.401035 (E_RNA) where: Base-Base interactions energy: -875.009 where: short stacking energy: -371.775 Base-Backbone interact. energy: -1.922 local terms energy: -386.470352 where: bonds (distance) C4'-P energy: -65.745 bonds (distance) P-C4' energy: -73.869 flat angles C4'-P-C4' energy: -78.947 flat angles P-C4'-P energy: -62.559 tors. eta vs tors. theta energy: -105.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1237.469403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.469403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.469403 (E_RNA) where: Base-Base interactions energy: -841.991 where: short stacking energy: -381.139 Base-Backbone interact. energy: -1.200 local terms energy: -394.277853 where: bonds (distance) C4'-P energy: -78.696 bonds (distance) P-C4' energy: -72.811 flat angles C4'-P-C4' energy: -78.746 flat angles P-C4'-P energy: -52.196 tors. eta vs tors. theta energy: -111.829 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: 9 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1164.931174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.931174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.931174 (E_RNA) where: Base-Base interactions energy: -780.482 where: short stacking energy: -359.388 Base-Backbone interact. energy: -2.442 local terms energy: -382.007363 where: bonds (distance) C4'-P energy: -68.957 bonds (distance) P-C4' energy: -74.290 flat angles C4'-P-C4' energy: -80.996 flat angles P-C4'-P energy: -52.901 tors. eta vs tors. theta energy: -104.864 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: 5, replica: 2 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1033.865769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.865769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.865769 (E_RNA) where: Base-Base interactions energy: -694.346 where: short stacking energy: -307.594 Base-Backbone interact. energy: 2.412 local terms energy: -341.932124 where: bonds (distance) C4'-P energy: -63.676 bonds (distance) P-C4' energy: -63.691 flat angles C4'-P-C4' energy: -88.595 flat angles P-C4'-P energy: -51.414 tors. eta vs tors. theta energy: -74.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -942.129615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.129615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.129615 (E_RNA) where: Base-Base interactions energy: -605.846 where: short stacking energy: -267.534 Base-Backbone interact. energy: -2.098 local terms energy: -334.185902 where: bonds (distance) C4'-P energy: -62.125 bonds (distance) P-C4' energy: -71.506 flat angles C4'-P-C4' energy: -77.231 flat angles P-C4'-P energy: -42.985 tors. eta vs tors. theta energy: -80.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -799.988434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.988434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.988434 (E_RNA) where: Base-Base interactions energy: -486.296 where: short stacking energy: -236.525 Base-Backbone interact. energy: -1.308 local terms energy: -312.384277 where: bonds (distance) C4'-P energy: -59.505 bonds (distance) P-C4' energy: -71.374 flat angles C4'-P-C4' energy: -76.076 flat angles P-C4'-P energy: -50.814 tors. eta vs tors. theta energy: -54.615 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: 6 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -648.978524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.978524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.978524 (E_RNA) where: Base-Base interactions energy: -375.278 where: short stacking energy: -214.755 Base-Backbone interact. energy: -1.167 local terms energy: -272.532924 where: bonds (distance) C4'-P energy: -45.944 bonds (distance) P-C4' energy: -73.184 flat angles C4'-P-C4' energy: -59.832 flat angles P-C4'-P energy: -49.756 tors. eta vs tors. theta energy: -43.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -433.997703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.997703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.997703 (E_RNA) where: Base-Base interactions energy: -215.061 where: short stacking energy: -119.046 Base-Backbone interact. energy: -0.327 local terms energy: -218.609620 where: bonds (distance) C4'-P energy: -66.893 bonds (distance) P-C4' energy: -63.846 flat angles C4'-P-C4' energy: -49.305 flat angles P-C4'-P energy: -41.811 tors. eta vs tors. theta energy: 3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -437.249109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.249109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.249109 (E_RNA) where: Base-Base interactions energy: -203.384 where: short stacking energy: -113.409 Base-Backbone interact. energy: 3.295 local terms energy: -237.159811 where: bonds (distance) C4'-P energy: -53.674 bonds (distance) P-C4' energy: -60.684 flat angles C4'-P-C4' energy: -69.551 flat angles P-C4'-P energy: -46.367 tors. eta vs tors. theta energy: -6.883 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: 10 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1368.040591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.040591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.040591 (E_RNA) where: Base-Base interactions energy: -925.297 where: short stacking energy: -406.668 Base-Backbone interact. energy: -0.891 local terms energy: -441.852482 where: bonds (distance) C4'-P energy: -86.187 bonds (distance) P-C4' energy: -81.262 flat angles C4'-P-C4' energy: -91.772 flat angles P-C4'-P energy: -57.995 tors. eta vs tors. theta energy: -124.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1290.655681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.655681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.655681 (E_RNA) where: Base-Base interactions energy: -875.044 where: short stacking energy: -375.875 Base-Backbone interact. energy: 0.500 local terms energy: -416.111299 where: bonds (distance) C4'-P energy: -72.328 bonds (distance) P-C4' energy: -78.633 flat angles C4'-P-C4' energy: -91.135 flat angles P-C4'-P energy: -61.513 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: 3, replica: 7 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1265.762067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.762067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.762067 (E_RNA) where: Base-Base interactions energy: -845.699 where: short stacking energy: -394.565 Base-Backbone interact. energy: -0.445 local terms energy: -419.617546 where: bonds (distance) C4'-P energy: -71.065 bonds (distance) P-C4' energy: -79.265 flat angles C4'-P-C4' energy: -91.529 flat angles P-C4'-P energy: -55.930 tors. eta vs tors. theta energy: -121.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1122.715877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.715877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.715877 (E_RNA) where: Base-Base interactions energy: -737.672 where: short stacking energy: -350.975 Base-Backbone interact. energy: 1.805 local terms energy: -386.848838 where: bonds (distance) C4'-P energy: -74.696 bonds (distance) P-C4' energy: -76.200 flat angles C4'-P-C4' energy: -86.168 flat angles P-C4'-P energy: -47.873 tors. eta vs tors. theta energy: -101.912 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: 9 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1104.827774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.827774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.827774 (E_RNA) where: Base-Base interactions energy: -731.345 where: short stacking energy: -328.028 Base-Backbone interact. energy: -2.007 local terms energy: -371.475761 where: bonds (distance) C4'-P energy: -71.724 bonds (distance) P-C4' energy: -69.169 flat angles C4'-P-C4' energy: -76.203 flat angles P-C4'-P energy: -54.524 tors. eta vs tors. theta energy: -99.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -948.136779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.136779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.136779 (E_RNA) where: Base-Base interactions energy: -614.544 where: short stacking energy: -278.554 Base-Backbone interact. energy: -1.265 local terms energy: -332.327400 where: bonds (distance) C4'-P energy: -66.012 bonds (distance) P-C4' energy: -76.829 flat angles C4'-P-C4' energy: -65.781 flat angles P-C4'-P energy: -52.613 tors. eta vs tors. theta energy: -71.092 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: 5 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -796.720694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.720694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.720694 (E_RNA) where: Base-Base interactions energy: -494.649 where: short stacking energy: -245.369 Base-Backbone interact. energy: -1.235 local terms energy: -300.836564 where: bonds (distance) C4'-P energy: -67.530 bonds (distance) P-C4' energy: -70.348 flat angles C4'-P-C4' energy: -67.908 flat angles P-C4'-P energy: -48.328 tors. eta vs tors. theta energy: -46.723 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: 6 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -650.015147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.015147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.015147 (E_RNA) where: Base-Base interactions energy: -366.593 where: short stacking energy: -195.806 Base-Backbone interact. energy: -1.578 local terms energy: -281.843484 where: bonds (distance) C4'-P energy: -59.078 bonds (distance) P-C4' energy: -69.349 flat angles C4'-P-C4' energy: -76.362 flat angles P-C4'-P energy: -56.827 tors. eta vs tors. theta energy: -20.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -449.889262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.889262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.889262 (E_RNA) where: Base-Base interactions energy: -211.524 where: short stacking energy: -127.312 Base-Backbone interact. energy: 0.832 local terms energy: -239.197504 where: bonds (distance) C4'-P energy: -55.977 bonds (distance) P-C4' energy: -77.129 flat angles C4'-P-C4' energy: -64.993 flat angles P-C4'-P energy: -34.633 tors. eta vs tors. theta energy: -6.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -444.350079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.350079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.350079 (E_RNA) where: Base-Base interactions energy: -209.587 where: short stacking energy: -114.180 Base-Backbone interact. energy: -0.521 local terms energy: -234.242046 where: bonds (distance) C4'-P energy: -57.666 bonds (distance) P-C4' energy: -66.778 flat angles C4'-P-C4' energy: -66.027 flat angles P-C4'-P energy: -42.149 tors. eta vs tors. theta energy: -1.622 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: 10 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1377.937053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.937053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.937053 (E_RNA) where: Base-Base interactions energy: -946.420 where: short stacking energy: -445.167 Base-Backbone interact. energy: -0.374 local terms energy: -431.143422 where: bonds (distance) C4'-P energy: -77.860 bonds (distance) P-C4' energy: -70.356 flat angles C4'-P-C4' energy: -91.098 flat angles P-C4'-P energy: -61.233 tors. eta vs tors. theta energy: -130.596 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: 486 Temperature: 0.950000 Total energy: -1271.523005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.523005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.523005 (E_RNA) where: Base-Base interactions energy: -868.027 where: short stacking energy: -376.003 Base-Backbone interact. energy: -3.428 local terms energy: -400.068409 where: bonds (distance) C4'-P energy: -72.088 bonds (distance) P-C4' energy: -75.123 flat angles C4'-P-C4' energy: -86.246 flat angles P-C4'-P energy: -57.744 tors. eta vs tors. theta energy: -108.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1248.490784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.490784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.490784 (E_RNA) where: Base-Base interactions energy: -826.536 where: short stacking energy: -361.274 Base-Backbone interact. energy: -0.563 local terms energy: -421.391554 where: bonds (distance) C4'-P energy: -82.662 bonds (distance) P-C4' energy: -77.546 flat angles C4'-P-C4' energy: -98.761 flat angles P-C4'-P energy: -64.479 tors. eta vs tors. theta energy: -97.943 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: 4, replica: 2 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1160.784726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.784726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.784726 (E_RNA) where: Base-Base interactions energy: -766.195 where: short stacking energy: -338.693 Base-Backbone interact. energy: -0.328 local terms energy: -394.261334 where: bonds (distance) C4'-P energy: -75.618 bonds (distance) P-C4' energy: -70.396 flat angles C4'-P-C4' energy: -90.876 flat angles P-C4'-P energy: -56.223 tors. eta vs tors. theta energy: -101.148 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: 9 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1052.651257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.651257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.651257 (E_RNA) where: Base-Base interactions energy: -689.940 where: short stacking energy: -311.879 Base-Backbone interact. energy: -1.572 local terms energy: -361.138510 where: bonds (distance) C4'-P energy: -76.280 bonds (distance) P-C4' energy: -73.384 flat angles C4'-P-C4' energy: -78.819 flat angles P-C4'-P energy: -49.460 tors. eta vs tors. theta energy: -83.195 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: 4 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -974.203703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.203703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.203703 (E_RNA) where: Base-Base interactions energy: -618.587 where: short stacking energy: -276.527 Base-Backbone interact. energy: 0.483 local terms energy: -356.099968 where: bonds (distance) C4'-P energy: -79.708 bonds (distance) P-C4' energy: -76.249 flat angles C4'-P-C4' energy: -78.996 flat angles P-C4'-P energy: -50.886 tors. eta vs tors. theta energy: -70.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -741.543989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.543989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.543989 (E_RNA) where: Base-Base interactions energy: -456.477 where: short stacking energy: -206.801 Base-Backbone interact. energy: 0.009 local terms energy: -285.075611 where: bonds (distance) C4'-P energy: -67.823 bonds (distance) P-C4' energy: -69.832 flat angles C4'-P-C4' energy: -64.755 flat angles P-C4'-P energy: -46.763 tors. eta vs tors. theta energy: -35.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -661.409956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.409956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.409956 (E_RNA) where: Base-Base interactions energy: -410.896 where: short stacking energy: -216.124 Base-Backbone interact. energy: 3.112 local terms energy: -253.626449 where: bonds (distance) C4'-P energy: -41.929 bonds (distance) P-C4' energy: -64.284 flat angles C4'-P-C4' energy: -68.682 flat angles P-C4'-P energy: -43.226 tors. eta vs tors. theta energy: -35.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -494.983975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.983975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.983975 (E_RNA) where: Base-Base interactions energy: -243.292 where: short stacking energy: -130.446 Base-Backbone interact. energy: 0.443 local terms energy: -252.135003 where: bonds (distance) C4'-P energy: -74.970 bonds (distance) P-C4' energy: -70.423 flat angles C4'-P-C4' energy: -65.731 flat angles P-C4'-P energy: -34.599 tors. eta vs tors. theta energy: -6.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -446.077282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.077282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.077282 (E_RNA) where: Base-Base interactions energy: -230.210 where: short stacking energy: -121.975 Base-Backbone interact. energy: -1.581 local terms energy: -214.286394 where: bonds (distance) C4'-P energy: -65.334 bonds (distance) P-C4' energy: -63.776 flat angles C4'-P-C4' energy: -53.306 flat angles P-C4'-P energy: -26.325 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1380.490317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.490317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.490317 (E_RNA) where: Base-Base interactions energy: -940.689 where: short stacking energy: -425.505 Base-Backbone interact. energy: -1.332 local terms energy: -438.469496 where: bonds (distance) C4'-P energy: -76.064 bonds (distance) P-C4' energy: -80.564 flat angles C4'-P-C4' energy: -91.304 flat angles P-C4'-P energy: -62.302 tors. eta vs tors. theta energy: -128.235 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: 2, replica: 7 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1254.875828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.875828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.875828 (E_RNA) where: Base-Base interactions energy: -839.707 where: short stacking energy: -363.100 Base-Backbone interact. energy: 0.070 local terms energy: -415.239379 where: bonds (distance) C4'-P energy: -81.099 bonds (distance) P-C4' energy: -76.766 flat angles C4'-P-C4' energy: -88.266 flat angles P-C4'-P energy: -62.167 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: 3, replica: 1 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1180.651139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.651139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.651139 (E_RNA) where: Base-Base interactions energy: -791.051 where: short stacking energy: -332.813 Base-Backbone interact. energy: 2.473 local terms energy: -392.072778 where: bonds (distance) C4'-P energy: -73.215 bonds (distance) P-C4' energy: -75.087 flat angles C4'-P-C4' energy: -90.177 flat angles P-C4'-P energy: -55.509 tors. eta vs tors. theta energy: -98.085 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: 487 Temperature: 1.050000 Total energy: -1126.709289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.709289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.709289 (E_RNA) where: Base-Base interactions energy: -743.046 where: short stacking energy: -336.627 Base-Backbone interact. energy: -0.373 local terms energy: -383.290534 where: bonds (distance) C4'-P energy: -77.752 bonds (distance) P-C4' energy: -77.374 flat angles C4'-P-C4' energy: -78.302 flat angles P-C4'-P energy: -47.566 tors. eta vs tors. theta energy: -102.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1026.408806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.408806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.408806 (E_RNA) where: Base-Base interactions energy: -679.336 where: short stacking energy: -299.043 Base-Backbone interact. energy: -0.880 local terms energy: -346.193064 where: bonds (distance) C4'-P energy: -74.219 bonds (distance) P-C4' energy: -67.731 flat angles C4'-P-C4' energy: -66.654 flat angles P-C4'-P energy: -59.176 tors. eta vs tors. theta energy: -78.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -901.121006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.121006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.121006 (E_RNA) where: Base-Base interactions energy: -551.704 where: short stacking energy: -273.755 Base-Backbone interact. energy: 0.137 local terms energy: -349.553706 where: bonds (distance) C4'-P energy: -69.581 bonds (distance) P-C4' energy: -82.693 flat angles C4'-P-C4' energy: -79.331 flat angles P-C4'-P energy: -39.569 tors. eta vs tors. theta energy: -78.381 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: 5 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -743.062423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.062423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.062423 (E_RNA) where: Base-Base interactions energy: -440.980 where: short stacking energy: -215.973 Base-Backbone interact. energy: -1.205 local terms energy: -300.877233 where: bonds (distance) C4'-P energy: -72.407 bonds (distance) P-C4' energy: -82.683 flat angles C4'-P-C4' energy: -69.198 flat angles P-C4'-P energy: -41.418 tors. eta vs tors. theta energy: -35.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -650.250231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.250231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.250231 (E_RNA) where: Base-Base interactions energy: -370.128 where: short stacking energy: -199.302 Base-Backbone interact. energy: -1.189 local terms energy: -278.933697 where: bonds (distance) C4'-P energy: -71.373 bonds (distance) P-C4' energy: -62.620 flat angles C4'-P-C4' energy: -75.940 flat angles P-C4'-P energy: -41.019 tors. eta vs tors. theta energy: -27.982 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: 3 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -467.809729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.809729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.809729 (E_RNA) where: Base-Base interactions energy: -235.865 where: short stacking energy: -157.339 Base-Backbone interact. energy: 2.357 local terms energy: -234.301914 where: bonds (distance) C4'-P energy: -64.771 bonds (distance) P-C4' energy: -62.118 flat angles C4'-P-C4' energy: -64.913 flat angles P-C4'-P energy: -28.289 tors. eta vs tors. theta energy: -14.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -452.657699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.657699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.657699 (E_RNA) where: Base-Base interactions energy: -221.255 where: short stacking energy: -119.499 Base-Backbone interact. energy: -2.053 local terms energy: -229.350296 where: bonds (distance) C4'-P energy: -60.302 bonds (distance) P-C4' energy: -72.818 flat angles C4'-P-C4' energy: -58.469 flat angles P-C4'-P energy: -28.297 tors. eta vs tors. theta energy: -9.464 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: 10 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1364.271645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.271645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.271645 (E_RNA) where: Base-Base interactions energy: -936.490 where: short stacking energy: -426.646 Base-Backbone interact. energy: 0.555 local terms energy: -428.336119 where: bonds (distance) C4'-P energy: -71.713 bonds (distance) P-C4' energy: -76.262 flat angles C4'-P-C4' energy: -90.864 flat angles P-C4'-P energy: -63.927 tors. eta vs tors. theta energy: -125.570 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: 7 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1276.375092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.375092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.375092 (E_RNA) where: Base-Base interactions energy: -850.320 where: short stacking energy: -376.569 Base-Backbone interact. energy: -1.063 local terms energy: -424.992179 where: bonds (distance) C4'-P energy: -79.584 bonds (distance) P-C4' energy: -70.995 flat angles C4'-P-C4' energy: -97.857 flat angles P-C4'-P energy: -56.940 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: 488 Temperature: 1.000000 Total energy: -1188.344612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.344612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.344612 (E_RNA) where: Base-Base interactions energy: -788.697 where: short stacking energy: -340.025 Base-Backbone interact. energy: 3.286 local terms energy: -402.933525 where: bonds (distance) C4'-P energy: -68.060 bonds (distance) P-C4' energy: -88.345 flat angles C4'-P-C4' energy: -90.186 flat angles P-C4'-P energy: -54.633 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: 4, replica: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1160.258049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.258049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.258049 (E_RNA) where: Base-Base interactions energy: -762.174 where: short stacking energy: -365.246 Base-Backbone interact. energy: -1.045 local terms energy: -397.038274 where: bonds (distance) C4'-P energy: -80.490 bonds (distance) P-C4' energy: -70.459 flat angles C4'-P-C4' energy: -85.405 flat angles P-C4'-P energy: -58.161 tors. eta vs tors. theta energy: -102.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1057.828483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.828483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.828483 (E_RNA) where: Base-Base interactions energy: -670.261 where: short stacking energy: -322.483 Base-Backbone interact. energy: 0.348 local terms energy: -387.915255 where: bonds (distance) C4'-P energy: -72.903 bonds (distance) P-C4' energy: -80.738 flat angles C4'-P-C4' energy: -83.879 flat angles P-C4'-P energy: -56.048 tors. eta vs tors. theta energy: -94.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -911.533562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.533562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.533562 (E_RNA) where: Base-Base interactions energy: -610.186 where: short stacking energy: -274.824 Base-Backbone interact. energy: -0.990 local terms energy: -300.357871 where: bonds (distance) C4'-P energy: -54.049 bonds (distance) P-C4' energy: -68.024 flat angles C4'-P-C4' energy: -63.364 flat angles P-C4'-P energy: -43.443 tors. eta vs tors. theta energy: -71.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -768.946578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.946578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.946578 (E_RNA) where: Base-Base interactions energy: -473.582 where: short stacking energy: -232.683 Base-Backbone interact. energy: 0.339 local terms energy: -295.703924 where: bonds (distance) C4'-P energy: -65.337 bonds (distance) P-C4' energy: -77.155 flat angles C4'-P-C4' energy: -69.216 flat angles P-C4'-P energy: -44.782 tors. eta vs tors. theta energy: -39.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -620.101388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.101388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.101388 (E_RNA) where: Base-Base interactions energy: -333.907 where: short stacking energy: -169.395 Base-Backbone interact. energy: -0.716 local terms energy: -285.478403 where: bonds (distance) C4'-P energy: -71.648 bonds (distance) P-C4' energy: -82.849 flat angles C4'-P-C4' energy: -63.263 flat angles P-C4'-P energy: -44.859 tors. eta vs tors. theta energy: -22.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -447.905260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.905260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.905260 (E_RNA) where: Base-Base interactions energy: -213.873 where: short stacking energy: -129.366 Base-Backbone interact. energy: 2.855 local terms energy: -236.887850 where: bonds (distance) C4'-P energy: -73.257 bonds (distance) P-C4' energy: -65.578 flat angles C4'-P-C4' energy: -60.400 flat angles P-C4'-P energy: -33.208 tors. eta vs tors. theta energy: -4.445 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: 488 Temperature: 1.350000 Total energy: -451.065357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.065357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.065357 (E_RNA) where: Base-Base interactions energy: -237.835 where: short stacking energy: -125.677 Base-Backbone interact. energy: 0.189 local terms energy: -213.419097 where: bonds (distance) C4'-P energy: -66.595 bonds (distance) P-C4' energy: -58.573 flat angles C4'-P-C4' energy: -60.073 flat angles P-C4'-P energy: -24.259 tors. eta vs tors. theta energy: -3.919 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: 10 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1386.220236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.220236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.220236 (E_RNA) where: Base-Base interactions energy: -938.230 where: short stacking energy: -415.848 Base-Backbone interact. energy: 0.139 local terms energy: -448.128719 where: bonds (distance) C4'-P energy: -86.913 bonds (distance) P-C4' energy: -81.328 flat angles C4'-P-C4' energy: -90.109 flat angles P-C4'-P energy: -62.092 tors. eta vs tors. theta energy: -127.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1262.946169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.946169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.946169 (E_RNA) where: Base-Base interactions energy: -863.362 where: short stacking energy: -387.370 Base-Backbone interact. energy: -1.417 local terms energy: -398.167683 where: bonds (distance) C4'-P energy: -68.276 bonds (distance) P-C4' energy: -65.949 flat angles C4'-P-C4' energy: -87.106 flat angles P-C4'-P energy: -59.818 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: 3, replica: 1 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1177.088255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.088255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.088255 (E_RNA) where: Base-Base interactions energy: -793.265 where: short stacking energy: -339.762 Base-Backbone interact. energy: -1.367 local terms energy: -382.456599 where: bonds (distance) C4'-P energy: -72.897 bonds (distance) P-C4' energy: -77.415 flat angles C4'-P-C4' energy: -87.897 flat angles P-C4'-P energy: -44.945 tors. eta vs tors. theta energy: -99.303 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: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1120.214090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.214090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.214090 (E_RNA) where: Base-Base interactions energy: -745.413 where: short stacking energy: -350.283 Base-Backbone interact. energy: -1.843 local terms energy: -372.957726 where: bonds (distance) C4'-P energy: -77.309 bonds (distance) P-C4' energy: -74.368 flat angles C4'-P-C4' energy: -80.209 flat angles P-C4'-P energy: -48.698 tors. eta vs tors. theta energy: -92.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1060.773654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.773654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.773654 (E_RNA) where: Base-Base interactions energy: -686.434 where: short stacking energy: -343.831 Base-Backbone interact. energy: -0.317 local terms energy: -374.023271 where: bonds (distance) C4'-P energy: -52.944 bonds (distance) P-C4' energy: -69.820 flat angles C4'-P-C4' energy: -84.859 flat angles P-C4'-P energy: -65.462 tors. eta vs tors. theta energy: -100.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -963.663258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.663258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.663258 (E_RNA) where: Base-Base interactions energy: -626.548 where: short stacking energy: -281.323 Base-Backbone interact. energy: 1.911 local terms energy: -339.026163 where: bonds (distance) C4'-P energy: -53.375 bonds (distance) P-C4' energy: -73.859 flat angles C4'-P-C4' energy: -78.581 flat angles P-C4'-P energy: -56.007 tors. eta vs tors. theta energy: -77.204 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: 5 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -742.938779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.938779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.938779 (E_RNA) where: Base-Base interactions energy: -458.489 where: short stacking energy: -240.422 Base-Backbone interact. energy: -0.548 local terms energy: -283.901365 where: bonds (distance) C4'-P energy: -66.304 bonds (distance) P-C4' energy: -66.659 flat angles C4'-P-C4' energy: -62.604 flat angles P-C4'-P energy: -47.918 tors. eta vs tors. theta energy: -40.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -643.440274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.440274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.440274 (E_RNA) where: Base-Base interactions energy: -369.390 where: short stacking energy: -203.446 Base-Backbone interact. energy: 2.540 local terms energy: -276.590142 where: bonds (distance) C4'-P energy: -62.665 bonds (distance) P-C4' energy: -64.051 flat angles C4'-P-C4' energy: -68.686 flat angles P-C4'-P energy: -41.810 tors. eta vs tors. theta energy: -39.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -463.677265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.677265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.677265 (E_RNA) where: Base-Base interactions energy: -232.816 where: short stacking energy: -144.163 Base-Backbone interact. energy: -1.094 local terms energy: -229.767473 where: bonds (distance) C4'-P energy: -77.928 bonds (distance) P-C4' energy: -67.295 flat angles C4'-P-C4' energy: -53.926 flat angles P-C4'-P energy: -36.648 tors. eta vs tors. theta energy: 6.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -453.364126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.364126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.364126 (E_RNA) where: Base-Base interactions energy: -230.078 where: short stacking energy: -127.936 Base-Backbone interact. energy: 1.668 local terms energy: -224.954509 where: bonds (distance) C4'-P energy: -70.418 bonds (distance) P-C4' energy: -73.849 flat angles C4'-P-C4' energy: -53.053 flat angles P-C4'-P energy: -28.529 tors. eta vs tors. theta energy: 0.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1380.648448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.648448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.648448 (E_RNA) where: Base-Base interactions energy: -931.985 where: short stacking energy: -417.515 Base-Backbone interact. energy: -1.203 local terms energy: -447.460292 where: bonds (distance) C4'-P energy: -76.737 bonds (distance) P-C4' energy: -83.419 flat angles C4'-P-C4' energy: -96.502 flat angles P-C4'-P energy: -67.280 tors. eta vs tors. theta energy: -123.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1285.927956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.927956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.927956 (E_RNA) where: Base-Base interactions energy: -864.055 where: short stacking energy: -393.971 Base-Backbone interact. energy: -1.427 local terms energy: -420.445916 where: bonds (distance) C4'-P energy: -80.026 bonds (distance) P-C4' energy: -76.206 flat angles C4'-P-C4' energy: -92.790 flat angles P-C4'-P energy: -52.933 tors. eta vs tors. theta energy: -118.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1193.946746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.946746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.946746 (E_RNA) where: Base-Base interactions energy: -804.658 where: short stacking energy: -364.650 Base-Backbone interact. energy: -1.710 local terms energy: -387.578672 where: bonds (distance) C4'-P energy: -71.817 bonds (distance) P-C4' energy: -70.754 flat angles C4'-P-C4' energy: -72.382 flat angles P-C4'-P energy: -60.888 tors. eta vs tors. theta energy: -111.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1089.014613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.014613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.014613 (E_RNA) where: Base-Base interactions energy: -718.406 where: short stacking energy: -323.832 Base-Backbone interact. energy: -0.899 local terms energy: -369.708801 where: bonds (distance) C4'-P energy: -65.887 bonds (distance) P-C4' energy: -70.792 flat angles C4'-P-C4' energy: -85.375 flat angles P-C4'-P energy: -58.443 tors. eta vs tors. theta energy: -89.212 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: 9 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1036.313185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.313185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.313185 (E_RNA) where: Base-Base interactions energy: -658.988 where: short stacking energy: -304.751 Base-Backbone interact. energy: -2.732 local terms energy: -374.592895 where: bonds (distance) C4'-P energy: -72.084 bonds (distance) P-C4' energy: -67.404 flat angles C4'-P-C4' energy: -82.626 flat angles P-C4'-P energy: -65.345 tors. eta vs tors. theta energy: -87.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -976.836547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.836547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.836547 (E_RNA) where: Base-Base interactions energy: -629.077 where: short stacking energy: -295.991 Base-Backbone interact. energy: -2.775 local terms energy: -344.984610 where: bonds (distance) C4'-P energy: -62.002 bonds (distance) P-C4' energy: -80.496 flat angles C4'-P-C4' energy: -78.634 flat angles P-C4'-P energy: -46.292 tors. eta vs tors. theta energy: -77.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -774.115308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.115308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.115308 (E_RNA) where: Base-Base interactions energy: -453.906 where: short stacking energy: -214.559 Base-Backbone interact. energy: 0.068 local terms energy: -320.277591 where: bonds (distance) C4'-P energy: -64.470 bonds (distance) P-C4' energy: -81.047 flat angles C4'-P-C4' energy: -76.133 flat angles P-C4'-P energy: -47.060 tors. eta vs tors. theta energy: -51.569 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: 8, replica: 6 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -667.543941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.543941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.543941 (E_RNA) where: Base-Base interactions energy: -373.173 where: short stacking energy: -181.709 Base-Backbone interact. energy: -2.683 local terms energy: -291.688115 where: bonds (distance) C4'-P energy: -70.193 bonds (distance) P-C4' energy: -68.240 flat angles C4'-P-C4' energy: -72.219 flat angles P-C4'-P energy: -45.850 tors. eta vs tors. theta energy: -35.186 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: 490 Temperature: 1.300000 Total energy: -508.248791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.248791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.248791 (E_RNA) where: Base-Base interactions energy: -237.339 where: short stacking energy: -134.462 Base-Backbone interact. energy: 3.587 local terms energy: -274.497023 where: bonds (distance) C4'-P energy: -74.286 bonds (distance) P-C4' energy: -67.936 flat angles C4'-P-C4' energy: -69.998 flat angles P-C4'-P energy: -49.568 tors. eta vs tors. theta energy: -12.709 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: 3 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -411.237932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.237932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.237932 (E_RNA) where: Base-Base interactions energy: -194.650 where: short stacking energy: -101.660 Base-Backbone interact. energy: -0.479 local terms energy: -216.108936 where: bonds (distance) C4'-P energy: -64.351 bonds (distance) P-C4' energy: -80.180 flat angles C4'-P-C4' energy: -53.249 flat angles P-C4'-P energy: -34.955 tors. eta vs tors. theta energy: 16.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1369.795291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.795291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.795291 (E_RNA) where: Base-Base interactions energy: -944.665 where: short stacking energy: -439.742 Base-Backbone interact. energy: -1.287 local terms energy: -423.843795 where: bonds (distance) C4'-P energy: -71.570 bonds (distance) P-C4' energy: -73.363 flat angles C4'-P-C4' energy: -88.239 flat angles P-C4'-P energy: -63.603 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: 2, replica: 7 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1297.254115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.254115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.254115 (E_RNA) where: Base-Base interactions energy: -887.009 where: short stacking energy: -402.119 Base-Backbone interact. energy: -2.628 local terms energy: -407.617008 where: bonds (distance) C4'-P energy: -71.509 bonds (distance) P-C4' energy: -79.089 flat angles C4'-P-C4' energy: -81.500 flat angles P-C4'-P energy: -48.096 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: 3, replica: 1 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1206.396898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.396898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.396898 (E_RNA) where: Base-Base interactions energy: -811.454 where: short stacking energy: -357.457 Base-Backbone interact. energy: -0.695 local terms energy: -394.248156 where: bonds (distance) C4'-P energy: -74.891 bonds (distance) P-C4' energy: -74.390 flat angles C4'-P-C4' energy: -88.809 flat angles P-C4'-P energy: -58.641 tors. eta vs tors. theta energy: -97.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1141.172129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.172129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.172129 (E_RNA) where: Base-Base interactions energy: -760.077 where: short stacking energy: -340.408 Base-Backbone interact. energy: 3.289 local terms energy: -384.384408 where: bonds (distance) C4'-P energy: -68.786 bonds (distance) P-C4' energy: -80.198 flat angles C4'-P-C4' energy: -83.264 flat angles P-C4'-P energy: -51.945 tors. eta vs tors. theta energy: -100.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1029.103686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.103686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.103686 (E_RNA) where: Base-Base interactions energy: -655.634 where: short stacking energy: -330.025 Base-Backbone interact. energy: -1.097 local terms energy: -372.372690 where: bonds (distance) C4'-P energy: -67.013 bonds (distance) P-C4' energy: -74.757 flat angles C4'-P-C4' energy: -90.060 flat angles P-C4'-P energy: -45.424 tors. eta vs tors. theta energy: -95.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -963.792872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.792872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.792872 (E_RNA) where: Base-Base interactions energy: -634.682 where: short stacking energy: -290.808 Base-Backbone interact. energy: 5.628 local terms energy: -334.739432 where: bonds (distance) C4'-P energy: -60.725 bonds (distance) P-C4' energy: -74.894 flat angles C4'-P-C4' energy: -68.310 flat angles P-C4'-P energy: -59.849 tors. eta vs tors. theta energy: -70.961 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: 7, replica: 5 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -734.000722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.000722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.000722 (E_RNA) where: Base-Base interactions energy: -456.232 where: short stacking energy: -212.435 Base-Backbone interact. energy: 4.784 local terms energy: -282.553091 where: bonds (distance) C4'-P energy: -66.217 bonds (distance) P-C4' energy: -74.768 flat angles C4'-P-C4' energy: -69.957 flat angles P-C4'-P energy: -35.395 tors. eta vs tors. theta energy: -36.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -634.222910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.222910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.222910 (E_RNA) where: Base-Base interactions energy: -381.236 where: short stacking energy: -193.638 Base-Backbone interact. energy: -1.719 local terms energy: -251.267457 where: bonds (distance) C4'-P energy: -47.042 bonds (distance) P-C4' energy: -64.368 flat angles C4'-P-C4' energy: -73.336 flat angles P-C4'-P energy: -35.069 tors. eta vs tors. theta energy: -31.453 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: 8 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -511.851555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.851555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.851555 (E_RNA) where: Base-Base interactions energy: -255.973 where: short stacking energy: -139.517 Base-Backbone interact. energy: -2.015 local terms energy: -253.863561 where: bonds (distance) C4'-P energy: -69.988 bonds (distance) P-C4' energy: -78.852 flat angles C4'-P-C4' energy: -61.776 flat angles P-C4'-P energy: -33.747 tors. eta vs tors. theta energy: -9.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -413.453455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.453455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.453455 (E_RNA) where: Base-Base interactions energy: -197.875 where: short stacking energy: -90.919 Base-Backbone interact. energy: 5.394 local terms energy: -220.971693 where: bonds (distance) C4'-P energy: -64.427 bonds (distance) P-C4' energy: -65.307 flat angles C4'-P-C4' energy: -62.579 flat angles P-C4'-P energy: -32.379 tors. eta vs tors. theta energy: 3.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1364.819715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.819715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.819715 (E_RNA) where: Base-Base interactions energy: -912.026 where: short stacking energy: -433.626 Base-Backbone interact. energy: -3.022 local terms energy: -449.772156 where: bonds (distance) C4'-P energy: -84.797 bonds (distance) P-C4' energy: -74.774 flat angles C4'-P-C4' energy: -91.464 flat angles P-C4'-P energy: -69.545 tors. eta vs tors. theta energy: -129.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1284.983081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.983081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.983081 (E_RNA) where: Base-Base interactions energy: -878.382 where: short stacking energy: -394.939 Base-Backbone interact. energy: -1.946 local terms energy: -404.654884 where: bonds (distance) C4'-P energy: -71.747 bonds (distance) P-C4' energy: -76.335 flat angles C4'-P-C4' energy: -80.071 flat angles P-C4'-P energy: -61.516 tors. eta vs tors. theta energy: -114.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1192.724144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.724144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.724144 (E_RNA) where: Base-Base interactions energy: -808.731 where: short stacking energy: -350.703 Base-Backbone interact. energy: 0.711 local terms energy: -384.704688 where: bonds (distance) C4'-P energy: -71.812 bonds (distance) P-C4' energy: -78.357 flat angles C4'-P-C4' energy: -88.102 flat angles P-C4'-P energy: -60.553 tors. eta vs tors. theta energy: -85.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1107.940909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.940909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.940909 (E_RNA) where: Base-Base interactions energy: -735.548 where: short stacking energy: -321.636 Base-Backbone interact. energy: -0.907 local terms energy: -371.486577 where: bonds (distance) C4'-P energy: -78.924 bonds (distance) P-C4' energy: -70.584 flat angles C4'-P-C4' energy: -80.858 flat angles P-C4'-P energy: -55.178 tors. eta vs tors. theta energy: -85.942 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: 4 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1012.786032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.786032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.786032 (E_RNA) where: Base-Base interactions energy: -646.895 where: short stacking energy: -314.139 Base-Backbone interact. energy: -1.200 local terms energy: -364.691537 where: bonds (distance) C4'-P energy: -79.400 bonds (distance) P-C4' energy: -59.320 flat angles C4'-P-C4' energy: -82.128 flat angles P-C4'-P energy: -43.662 tors. eta vs tors. theta energy: -100.182 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: 9 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1032.663792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.663792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.663792 (E_RNA) where: Base-Base interactions energy: -681.708 where: short stacking energy: -320.121 Base-Backbone interact. energy: -0.523 local terms energy: -350.432826 where: bonds (distance) C4'-P energy: -60.167 bonds (distance) P-C4' energy: -70.931 flat angles C4'-P-C4' energy: -87.231 flat angles P-C4'-P energy: -45.447 tors. eta vs tors. theta energy: -86.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -682.867683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.867683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.867683 (E_RNA) where: Base-Base interactions energy: -378.784 where: short stacking energy: -191.066 Base-Backbone interact. energy: -0.254 local terms energy: -303.829037 where: bonds (distance) C4'-P energy: -77.612 bonds (distance) P-C4' energy: -62.683 flat angles C4'-P-C4' energy: -69.821 flat angles P-C4'-P energy: -52.091 tors. eta vs tors. theta energy: -41.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -654.183473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.183473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.183473 (E_RNA) where: Base-Base interactions energy: -355.055 where: short stacking energy: -206.036 Base-Backbone interact. energy: -1.575 local terms energy: -297.553343 where: bonds (distance) C4'-P energy: -67.594 bonds (distance) P-C4' energy: -84.373 flat angles C4'-P-C4' energy: -63.493 flat angles P-C4'-P energy: -46.879 tors. eta vs tors. theta energy: -35.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -544.644703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.644703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.644703 (E_RNA) where: Base-Base interactions energy: -284.646 where: short stacking energy: -170.888 Base-Backbone interact. energy: -2.456 local terms energy: -257.543096 where: bonds (distance) C4'-P energy: -61.420 bonds (distance) P-C4' energy: -63.786 flat angles C4'-P-C4' energy: -59.442 flat angles P-C4'-P energy: -47.366 tors. eta vs tors. theta energy: -25.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -437.373129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.373129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.373129 (E_RNA) where: Base-Base interactions energy: -233.945 where: short stacking energy: -127.727 Base-Backbone interact. energy: -3.362 local terms energy: -200.065906 where: bonds (distance) C4'-P energy: -57.849 bonds (distance) P-C4' energy: -65.372 flat angles C4'-P-C4' energy: -45.669 flat angles P-C4'-P energy: -28.016 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1380.213322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.213322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.213322 (E_RNA) where: Base-Base interactions energy: -925.366 where: short stacking energy: -432.764 Base-Backbone interact. energy: 0.342 local terms energy: -455.189519 where: bonds (distance) C4'-P energy: -77.515 bonds (distance) P-C4' energy: -72.431 flat angles C4'-P-C4' energy: -99.081 flat angles P-C4'-P energy: -69.856 tors. eta vs tors. theta energy: -136.306 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: 7 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1274.804601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.804601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.804601 (E_RNA) where: Base-Base interactions energy: -859.688 where: short stacking energy: -384.141 Base-Backbone interact. energy: -2.010 local terms energy: -413.107293 where: bonds (distance) C4'-P energy: -78.738 bonds (distance) P-C4' energy: -75.115 flat angles C4'-P-C4' energy: -91.855 flat angles P-C4'-P energy: -56.283 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: 3, replica: 1 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1201.235195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.235195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.235195 (E_RNA) where: Base-Base interactions energy: -804.779 where: short stacking energy: -358.259 Base-Backbone interact. energy: -2.345 local terms energy: -394.110918 where: bonds (distance) C4'-P energy: -80.903 bonds (distance) P-C4' energy: -82.560 flat angles C4'-P-C4' energy: -87.617 flat angles P-C4'-P energy: -52.183 tors. eta vs tors. theta energy: -90.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1105.217388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.217388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.217388 (E_RNA) where: Base-Base interactions energy: -723.574 where: short stacking energy: -313.520 Base-Backbone interact. energy: -0.158 local terms energy: -381.485515 where: bonds (distance) C4'-P energy: -63.626 bonds (distance) P-C4' energy: -65.369 flat angles C4'-P-C4' energy: -93.065 flat angles P-C4'-P energy: -57.516 tors. eta vs tors. theta energy: -101.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -973.899929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.899929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.899929 (E_RNA) where: Base-Base interactions energy: -619.758 where: short stacking energy: -288.514 Base-Backbone interact. energy: -1.231 local terms energy: -352.911196 where: bonds (distance) C4'-P energy: -66.739 bonds (distance) P-C4' energy: -84.010 flat angles C4'-P-C4' energy: -71.397 flat angles P-C4'-P energy: -49.176 tors. eta vs tors. theta energy: -81.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1020.774412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.774412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.774412 (E_RNA) where: Base-Base interactions energy: -655.728 where: short stacking energy: -312.572 Base-Backbone interact. energy: 1.096 local terms energy: -366.142315 where: bonds (distance) C4'-P energy: -80.821 bonds (distance) P-C4' energy: -78.385 flat angles C4'-P-C4' energy: -74.140 flat angles P-C4'-P energy: -48.471 tors. eta vs tors. theta energy: -84.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -702.248493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.248493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.248493 (E_RNA) where: Base-Base interactions energy: -418.095 where: short stacking energy: -237.604 Base-Backbone interact. energy: -0.566 local terms energy: -283.587333 where: bonds (distance) C4'-P energy: -60.417 bonds (distance) P-C4' energy: -68.516 flat angles C4'-P-C4' energy: -65.976 flat angles P-C4'-P energy: -38.112 tors. eta vs tors. theta energy: -50.567 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: 6 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -650.023578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.023578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.023578 (E_RNA) where: Base-Base interactions energy: -381.094 where: short stacking energy: -184.404 Base-Backbone interact. energy: -2.235 local terms energy: -266.695449 where: bonds (distance) C4'-P energy: -70.474 bonds (distance) P-C4' energy: -70.851 flat angles C4'-P-C4' energy: -59.789 flat angles P-C4'-P energy: -37.755 tors. eta vs tors. theta energy: -27.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -527.856428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.856428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.856428 (E_RNA) where: Base-Base interactions energy: -267.621 where: short stacking energy: -178.607 Base-Backbone interact. energy: -2.031 local terms energy: -258.204390 where: bonds (distance) C4'-P energy: -53.059 bonds (distance) P-C4' energy: -72.375 flat angles C4'-P-C4' energy: -59.135 flat angles P-C4'-P energy: -36.433 tors. eta vs tors. theta energy: -37.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -458.532824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.532824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.532824 (E_RNA) where: Base-Base interactions energy: -228.171 where: short stacking energy: -134.951 Base-Backbone interact. energy: 2.110 local terms energy: -232.471636 where: bonds (distance) C4'-P energy: -67.227 bonds (distance) P-C4' energy: -77.973 flat angles C4'-P-C4' energy: -62.786 flat angles P-C4'-P energy: -13.582 tors. eta vs tors. theta energy: -10.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1380.965431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.965431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.965431 (E_RNA) where: Base-Base interactions energy: -923.841 where: short stacking energy: -441.638 Base-Backbone interact. energy: -1.244 local terms energy: -455.879579 where: bonds (distance) C4'-P energy: -83.040 bonds (distance) P-C4' energy: -81.940 flat angles C4'-P-C4' energy: -89.940 flat angles P-C4'-P energy: -65.454 tors. eta vs tors. theta energy: -135.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1285.412188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.412188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.412188 (E_RNA) where: Base-Base interactions energy: -852.475 where: short stacking energy: -380.991 Base-Backbone interact. energy: 0.691 local terms energy: -433.628427 where: bonds (distance) C4'-P energy: -72.561 bonds (distance) P-C4' energy: -86.938 flat angles C4'-P-C4' energy: -96.262 flat angles P-C4'-P energy: -56.421 tors. eta vs tors. theta energy: -121.446 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: 2 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1174.920262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.920262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.920262 (E_RNA) where: Base-Base interactions energy: -792.847 where: short stacking energy: -351.474 Base-Backbone interact. energy: -0.563 local terms energy: -381.509846 where: bonds (distance) C4'-P energy: -77.348 bonds (distance) P-C4' energy: -75.278 flat angles C4'-P-C4' energy: -78.226 flat angles P-C4'-P energy: -55.864 tors. eta vs tors. theta energy: -94.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1160.056313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.056313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.056313 (E_RNA) where: Base-Base interactions energy: -770.709 where: short stacking energy: -322.708 Base-Backbone interact. energy: -1.562 local terms energy: -387.785636 where: bonds (distance) C4'-P energy: -78.048 bonds (distance) P-C4' energy: -85.669 flat angles C4'-P-C4' energy: -81.335 flat angles P-C4'-P energy: -55.540 tors. eta vs tors. theta energy: -87.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1058.424468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.424468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.424468 (E_RNA) where: Base-Base interactions energy: -678.530 where: short stacking energy: -331.927 Base-Backbone interact. energy: -1.131 local terms energy: -378.763805 where: bonds (distance) C4'-P energy: -71.129 bonds (distance) P-C4' energy: -72.867 flat angles C4'-P-C4' energy: -87.583 flat angles P-C4'-P energy: -45.803 tors. eta vs tors. theta energy: -101.381 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: 4 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -917.944778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.944778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.944778 (E_RNA) where: Base-Base interactions energy: -597.979 where: short stacking energy: -286.231 Base-Backbone interact. energy: -1.309 local terms energy: -318.656916 where: bonds (distance) C4'-P energy: -65.647 bonds (distance) P-C4' energy: -57.346 flat angles C4'-P-C4' energy: -72.178 flat angles P-C4'-P energy: -52.932 tors. eta vs tors. theta energy: -70.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -673.111883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.111883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.111883 (E_RNA) where: Base-Base interactions energy: -383.233 where: short stacking energy: -197.048 Base-Backbone interact. energy: -1.040 local terms energy: -288.839742 where: bonds (distance) C4'-P energy: -68.022 bonds (distance) P-C4' energy: -66.489 flat angles C4'-P-C4' energy: -70.082 flat angles P-C4'-P energy: -46.314 tors. eta vs tors. theta energy: -37.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -632.709812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.709812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.709812 (E_RNA) where: Base-Base interactions energy: -355.150 where: short stacking energy: -196.451 Base-Backbone interact. energy: 0.015 local terms energy: -277.574801 where: bonds (distance) C4'-P energy: -77.126 bonds (distance) P-C4' energy: -54.705 flat angles C4'-P-C4' energy: -75.237 flat angles P-C4'-P energy: -29.947 tors. eta vs tors. theta energy: -40.560 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: 8 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -524.594051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.594051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.594051 (E_RNA) where: Base-Base interactions energy: -256.051 where: short stacking energy: -147.731 Base-Backbone interact. energy: 0.646 local terms energy: -269.188910 where: bonds (distance) C4'-P energy: -68.826 bonds (distance) P-C4' energy: -70.818 flat angles C4'-P-C4' energy: -62.152 flat angles P-C4'-P energy: -49.501 tors. eta vs tors. theta energy: -17.892 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: 3 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -446.927500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.927500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.927500 (E_RNA) where: Base-Base interactions energy: -213.138 where: short stacking energy: -136.018 Base-Backbone interact. energy: -1.311 local terms energy: -232.478324 where: bonds (distance) C4'-P energy: -64.043 bonds (distance) P-C4' energy: -74.078 flat angles C4'-P-C4' energy: -47.986 flat angles P-C4'-P energy: -37.172 tors. eta vs tors. theta energy: -9.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1372.176480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.176480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.176480 (E_RNA) where: Base-Base interactions energy: -908.763 where: short stacking energy: -425.730 Base-Backbone interact. energy: 0.185 local terms energy: -463.598982 where: bonds (distance) C4'-P energy: -81.636 bonds (distance) P-C4' energy: -81.996 flat angles C4'-P-C4' energy: -91.905 flat angles P-C4'-P energy: -68.872 tors. eta vs tors. theta energy: -139.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1274.023687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.023687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.023687 (E_RNA) where: Base-Base interactions energy: -853.456 where: short stacking energy: -379.628 Base-Backbone interact. energy: -0.443 local terms energy: -420.124687 where: bonds (distance) C4'-P energy: -82.527 bonds (distance) P-C4' energy: -79.571 flat angles C4'-P-C4' energy: -90.747 flat angles P-C4'-P energy: -54.856 tors. eta vs tors. theta energy: -112.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1166.827813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.827813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.827813 (E_RNA) where: Base-Base interactions energy: -776.448 where: short stacking energy: -343.045 Base-Backbone interact. energy: -0.659 local terms energy: -389.720444 where: bonds (distance) C4'-P energy: -80.320 bonds (distance) P-C4' energy: -65.999 flat angles C4'-P-C4' energy: -83.460 flat angles P-C4'-P energy: -50.901 tors. eta vs tors. theta energy: -109.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1133.594178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.594178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.594178 (E_RNA) where: Base-Base interactions energy: -766.628 where: short stacking energy: -334.585 Base-Backbone interact. energy: -1.863 local terms energy: -365.103145 where: bonds (distance) C4'-P energy: -74.484 bonds (distance) P-C4' energy: -66.826 flat angles C4'-P-C4' energy: -86.649 flat angles P-C4'-P energy: -43.097 tors. eta vs tors. theta energy: -94.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1042.383714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.383714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.383714 (E_RNA) where: Base-Base interactions energy: -658.340 where: short stacking energy: -326.247 Base-Backbone interact. energy: -1.208 local terms energy: -382.835731 where: bonds (distance) C4'-P energy: -64.354 bonds (distance) P-C4' energy: -68.433 flat angles C4'-P-C4' energy: -84.554 flat angles P-C4'-P energy: -63.666 tors. eta vs tors. theta energy: -101.829 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: 4 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -886.064109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.064109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.064109 (E_RNA) where: Base-Base interactions energy: -549.955 where: short stacking energy: -231.317 Base-Backbone interact. energy: -3.172 local terms energy: -332.937151 where: bonds (distance) C4'-P energy: -74.391 bonds (distance) P-C4' energy: -84.822 flat angles C4'-P-C4' energy: -81.782 flat angles P-C4'-P energy: -35.512 tors. eta vs tors. theta energy: -56.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -688.084603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.084603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.084603 (E_RNA) where: Base-Base interactions energy: -416.367 where: short stacking energy: -212.191 Base-Backbone interact. energy: 1.711 local terms energy: -273.428657 where: bonds (distance) C4'-P energy: -49.054 bonds (distance) P-C4' energy: -69.667 flat angles C4'-P-C4' energy: -60.076 flat angles P-C4'-P energy: -47.240 tors. eta vs tors. theta energy: -47.391 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: 6 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -638.124035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.124035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.124035 (E_RNA) where: Base-Base interactions energy: -365.365 where: short stacking energy: -197.816 Base-Backbone interact. energy: -1.910 local terms energy: -270.849489 where: bonds (distance) C4'-P energy: -73.050 bonds (distance) P-C4' energy: -66.767 flat angles C4'-P-C4' energy: -49.372 flat angles P-C4'-P energy: -47.897 tors. eta vs tors. theta energy: -33.763 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: 495 Temperature: 1.300000 Total energy: -520.149952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.149952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.149952 (E_RNA) where: Base-Base interactions energy: -255.094 where: short stacking energy: -149.222 Base-Backbone interact. energy: -0.353 local terms energy: -264.702589 where: bonds (distance) C4'-P energy: -80.165 bonds (distance) P-C4' energy: -67.692 flat angles C4'-P-C4' energy: -72.630 flat angles P-C4'-P energy: -36.345 tors. eta vs tors. theta energy: -7.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -443.735324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.735324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.735324 (E_RNA) where: Base-Base interactions energy: -226.939 where: short stacking energy: -150.079 Base-Backbone interact. energy: 2.806 local terms energy: -219.602474 where: bonds (distance) C4'-P energy: -64.581 bonds (distance) P-C4' energy: -63.321 flat angles C4'-P-C4' energy: -55.920 flat angles P-C4'-P energy: -29.825 tors. eta vs tors. theta energy: -5.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1329.255823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.255823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.255823 (E_RNA) where: Base-Base interactions energy: -892.823 where: short stacking energy: -405.067 Base-Backbone interact. energy: -0.651 local terms energy: -435.781690 where: bonds (distance) C4'-P energy: -71.927 bonds (distance) P-C4' energy: -86.517 flat angles C4'-P-C4' energy: -88.172 flat angles P-C4'-P energy: -63.926 tors. eta vs tors. theta energy: -125.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1283.324716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.324716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.324716 (E_RNA) where: Base-Base interactions energy: -875.056 where: short stacking energy: -388.518 Base-Backbone interact. energy: -1.042 local terms energy: -407.226652 where: bonds (distance) C4'-P energy: -69.612 bonds (distance) P-C4' energy: -83.111 flat angles C4'-P-C4' energy: -91.633 flat angles P-C4'-P energy: -50.595 tors. eta vs tors. theta energy: -112.275 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: 2 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1196.850338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.850338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.850338 (E_RNA) where: Base-Base interactions energy: -788.600 where: short stacking energy: -339.058 Base-Backbone interact. energy: -0.733 local terms energy: -407.517574 where: bonds (distance) C4'-P energy: -62.314 bonds (distance) P-C4' energy: -85.909 flat angles C4'-P-C4' energy: -90.547 flat angles P-C4'-P energy: -61.618 tors. eta vs tors. theta energy: -107.130 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: 4, replica: 1 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1167.527958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.527958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.527958 (E_RNA) where: Base-Base interactions energy: -785.940 where: short stacking energy: -357.808 Base-Backbone interact. energy: -0.372 local terms energy: -381.216400 where: bonds (distance) C4'-P energy: -79.829 bonds (distance) P-C4' energy: -69.345 flat angles C4'-P-C4' energy: -75.582 flat angles P-C4'-P energy: -54.349 tors. eta vs tors. theta energy: -102.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1013.014102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.014102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.014102 (E_RNA) where: Base-Base interactions energy: -656.474 where: short stacking energy: -312.174 Base-Backbone interact. energy: -0.384 local terms energy: -356.156391 where: bonds (distance) C4'-P energy: -83.823 bonds (distance) P-C4' energy: -67.961 flat angles C4'-P-C4' energy: -67.545 flat angles P-C4'-P energy: -52.756 tors. eta vs tors. theta energy: -84.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -921.989164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.989164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.989164 (E_RNA) where: Base-Base interactions energy: -593.538 where: short stacking energy: -252.689 Base-Backbone interact. energy: -2.606 local terms energy: -325.846096 where: bonds (distance) C4'-P energy: -65.232 bonds (distance) P-C4' energy: -67.622 flat angles C4'-P-C4' energy: -78.294 flat angles P-C4'-P energy: -45.623 tors. eta vs tors. theta energy: -69.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -654.569892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.569892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.569892 (E_RNA) where: Base-Base interactions energy: -390.172 where: short stacking energy: -182.287 Base-Backbone interact. energy: -1.474 local terms energy: -262.923549 where: bonds (distance) C4'-P energy: -68.452 bonds (distance) P-C4' energy: -63.596 flat angles C4'-P-C4' energy: -67.157 flat angles P-C4'-P energy: -43.101 tors. eta vs tors. theta energy: -20.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -619.175432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.175432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.175432 (E_RNA) where: Base-Base interactions energy: -333.617 where: short stacking energy: -162.406 Base-Backbone interact. energy: -0.416 local terms energy: -285.143043 where: bonds (distance) C4'-P energy: -71.866 bonds (distance) P-C4' energy: -84.716 flat angles C4'-P-C4' energy: -58.501 flat angles P-C4'-P energy: -43.610 tors. eta vs tors. theta energy: -26.450 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: 8 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -502.629391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.629391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.629391 (E_RNA) where: Base-Base interactions energy: -268.566 where: short stacking energy: -160.890 Base-Backbone interact. energy: -1.042 local terms energy: -233.021351 where: bonds (distance) C4'-P energy: -62.716 bonds (distance) P-C4' energy: -61.580 flat angles C4'-P-C4' energy: -64.467 flat angles P-C4'-P energy: -31.949 tors. eta vs tors. theta energy: -12.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -478.505798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.505798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.505798 (E_RNA) where: Base-Base interactions energy: -229.030 where: short stacking energy: -141.587 Base-Backbone interact. energy: -1.252 local terms energy: -248.223841 where: bonds (distance) C4'-P energy: -61.275 bonds (distance) P-C4' energy: -81.446 flat angles C4'-P-C4' energy: -54.311 flat angles P-C4'-P energy: -36.281 tors. eta vs tors. theta energy: -14.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1357.609190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.609190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.609190 (E_RNA) where: Base-Base interactions energy: -907.080 where: short stacking energy: -415.710 Base-Backbone interact. energy: -0.303 local terms energy: -450.226047 where: bonds (distance) C4'-P energy: -85.784 bonds (distance) P-C4' energy: -76.163 flat angles C4'-P-C4' energy: -95.141 flat angles P-C4'-P energy: -60.651 tors. eta vs tors. theta energy: -132.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1281.249020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.249020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.249020 (E_RNA) where: Base-Base interactions energy: -847.780 where: short stacking energy: -389.780 Base-Backbone interact. energy: -0.913 local terms energy: -432.555457 where: bonds (distance) C4'-P energy: -82.772 bonds (distance) P-C4' energy: -75.747 flat angles C4'-P-C4' energy: -87.510 flat angles P-C4'-P energy: -61.266 tors. eta vs tors. theta energy: -125.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1219.091527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.091527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.091527 (E_RNA) where: Base-Base interactions energy: -819.711 where: short stacking energy: -359.150 Base-Backbone interact. energy: -0.813 local terms energy: -398.567044 where: bonds (distance) C4'-P energy: -69.578 bonds (distance) P-C4' energy: -75.168 flat angles C4'-P-C4' energy: -89.982 flat angles P-C4'-P energy: -57.844 tors. eta vs tors. theta energy: -105.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1120.773679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.773679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.773679 (E_RNA) where: Base-Base interactions energy: -753.695 where: short stacking energy: -315.593 Base-Backbone interact. energy: -1.162 local terms energy: -365.917218 where: bonds (distance) C4'-P energy: -69.488 bonds (distance) P-C4' energy: -63.414 flat angles C4'-P-C4' energy: -84.856 flat angles P-C4'-P energy: -56.815 tors. eta vs tors. theta energy: -91.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1041.258119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.258119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.258119 (E_RNA) where: Base-Base interactions energy: -681.381 where: short stacking energy: -296.575 Base-Backbone interact. energy: -0.986 local terms energy: -358.890913 where: bonds (distance) C4'-P energy: -79.466 bonds (distance) P-C4' energy: -62.087 flat angles C4'-P-C4' energy: -80.168 flat angles P-C4'-P energy: -62.610 tors. eta vs tors. theta energy: -74.559 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: 4 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -950.397190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.397190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.397190 (E_RNA) where: Base-Base interactions energy: -614.550 where: short stacking energy: -268.828 Base-Backbone interact. energy: 2.147 local terms energy: -337.994368 where: bonds (distance) C4'-P energy: -82.698 bonds (distance) P-C4' energy: -74.522 flat angles C4'-P-C4' energy: -78.557 flat angles P-C4'-P energy: -38.903 tors. eta vs tors. theta energy: -63.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -715.382235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.382235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.382235 (E_RNA) where: Base-Base interactions energy: -431.831 where: short stacking energy: -217.071 Base-Backbone interact. energy: -1.341 local terms energy: -282.210269 where: bonds (distance) C4'-P energy: -68.596 bonds (distance) P-C4' energy: -68.260 flat angles C4'-P-C4' energy: -64.424 flat angles P-C4'-P energy: -40.033 tors. eta vs tors. theta energy: -40.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -616.696000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.696000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.696000 (E_RNA) where: Base-Base interactions energy: -355.599 where: short stacking energy: -178.632 Base-Backbone interact. energy: -0.754 local terms energy: -260.343121 where: bonds (distance) C4'-P energy: -57.097 bonds (distance) P-C4' energy: -71.440 flat angles C4'-P-C4' energy: -65.224 flat angles P-C4'-P energy: -49.817 tors. eta vs tors. theta energy: -16.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -526.941047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.941047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.941047 (E_RNA) where: Base-Base interactions energy: -276.050 where: short stacking energy: -148.420 Base-Backbone interact. energy: -1.530 local terms energy: -249.361713 where: bonds (distance) C4'-P energy: -69.329 bonds (distance) P-C4' energy: -76.815 flat angles C4'-P-C4' energy: -59.414 flat angles P-C4'-P energy: -40.118 tors. eta vs tors. theta energy: -3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -516.058063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.058063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.058063 (E_RNA) where: Base-Base interactions energy: -279.250 where: short stacking energy: -130.495 Base-Backbone interact. energy: -0.619 local terms energy: -236.188813 where: bonds (distance) C4'-P energy: -69.998 bonds (distance) P-C4' energy: -61.503 flat angles C4'-P-C4' energy: -63.687 flat angles P-C4'-P energy: -39.116 tors. eta vs tors. theta energy: -1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1368.677815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.677815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.677815 (E_RNA) where: Base-Base interactions energy: -926.814 where: short stacking energy: -413.824 Base-Backbone interact. energy: -0.783 local terms energy: -441.080795 where: bonds (distance) C4'-P energy: -83.095 bonds (distance) P-C4' energy: -78.402 flat angles C4'-P-C4' energy: -90.877 flat angles P-C4'-P energy: -59.488 tors. eta vs tors. theta energy: -129.219 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: 7 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1302.570863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.570863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.570863 (E_RNA) where: Base-Base interactions energy: -878.738 where: short stacking energy: -389.810 Base-Backbone interact. energy: -0.892 local terms energy: -422.941129 where: bonds (distance) C4'-P energy: -69.678 bonds (distance) P-C4' energy: -78.256 flat angles C4'-P-C4' energy: -90.790 flat angles P-C4'-P energy: -64.117 tors. eta vs tors. theta energy: -120.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1211.295326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.295326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.295326 (E_RNA) where: Base-Base interactions energy: -802.756 where: short stacking energy: -362.370 Base-Backbone interact. energy: -1.774 local terms energy: -406.764558 where: bonds (distance) C4'-P energy: -76.828 bonds (distance) P-C4' energy: -80.642 flat angles C4'-P-C4' energy: -81.031 flat angles P-C4'-P energy: -59.613 tors. eta vs tors. theta energy: -108.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1136.249698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.249698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.249698 (E_RNA) where: Base-Base interactions energy: -772.153 where: short stacking energy: -319.147 Base-Backbone interact. energy: -0.672 local terms energy: -363.424459 where: bonds (distance) C4'-P energy: -74.141 bonds (distance) P-C4' energy: -77.325 flat angles C4'-P-C4' energy: -73.480 flat angles P-C4'-P energy: -52.808 tors. eta vs tors. theta energy: -85.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1041.098558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.098558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.098558 (E_RNA) where: Base-Base interactions energy: -689.051 where: short stacking energy: -315.563 Base-Backbone interact. energy: -0.473 local terms energy: -351.575070 where: bonds (distance) C4'-P energy: -68.587 bonds (distance) P-C4' energy: -76.281 flat angles C4'-P-C4' energy: -73.754 flat angles P-C4'-P energy: -51.956 tors. eta vs tors. theta energy: -80.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -983.197161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.197161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.197161 (E_RNA) where: Base-Base interactions energy: -637.703 where: short stacking energy: -298.953 Base-Backbone interact. energy: -1.161 local terms energy: -344.333240 where: bonds (distance) C4'-P energy: -63.420 bonds (distance) P-C4' energy: -62.531 flat angles C4'-P-C4' energy: -86.627 flat angles P-C4'-P energy: -49.414 tors. eta vs tors. theta energy: -82.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -641.617419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.617419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.617419 (E_RNA) where: Base-Base interactions energy: -391.667 where: short stacking energy: -199.656 Base-Backbone interact. energy: 3.966 local terms energy: -253.916384 where: bonds (distance) C4'-P energy: -57.439 bonds (distance) P-C4' energy: -59.697 flat angles C4'-P-C4' energy: -67.833 flat angles P-C4'-P energy: -42.435 tors. eta vs tors. theta energy: -26.512 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: 6 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -637.275646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.275646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.275646 (E_RNA) where: Base-Base interactions energy: -360.793 where: short stacking energy: -212.397 Base-Backbone interact. energy: -2.819 local terms energy: -273.663570 where: bonds (distance) C4'-P energy: -63.246 bonds (distance) P-C4' energy: -50.073 flat angles C4'-P-C4' energy: -74.724 flat angles P-C4'-P energy: -44.095 tors. eta vs tors. theta energy: -41.526 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: 8 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -502.190068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.190068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.190068 (E_RNA) where: Base-Base interactions energy: -263.404 where: short stacking energy: -156.442 Base-Backbone interact. energy: -3.140 local terms energy: -235.646337 where: bonds (distance) C4'-P energy: -70.402 bonds (distance) P-C4' energy: -71.722 flat angles C4'-P-C4' energy: -55.418 flat angles P-C4'-P energy: -26.094 tors. eta vs tors. theta energy: -12.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -476.081996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.081996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.081996 (E_RNA) where: Base-Base interactions energy: -239.096 where: short stacking energy: -147.136 Base-Backbone interact. energy: -2.047 local terms energy: -234.938976 where: bonds (distance) C4'-P energy: -69.038 bonds (distance) P-C4' energy: -65.454 flat angles C4'-P-C4' energy: -61.215 flat angles P-C4'-P energy: -30.353 tors. eta vs tors. theta energy: -8.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1375.879749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.879749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.879749 (E_RNA) where: Base-Base interactions energy: -926.052 where: short stacking energy: -421.515 Base-Backbone interact. energy: -1.610 local terms energy: -448.217303 where: bonds (distance) C4'-P energy: -81.002 bonds (distance) P-C4' energy: -79.576 flat angles C4'-P-C4' energy: -94.389 flat angles P-C4'-P energy: -61.233 tors. eta vs tors. theta energy: -132.017 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: 2, replica: 7 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1297.403701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.403701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.403701 (E_RNA) where: Base-Base interactions energy: -874.730 where: short stacking energy: -388.839 Base-Backbone interact. energy: 0.346 local terms energy: -423.019211 where: bonds (distance) C4'-P energy: -81.517 bonds (distance) P-C4' energy: -78.176 flat angles C4'-P-C4' energy: -92.453 flat angles P-C4'-P energy: -54.399 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: 3, replica: 2 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1204.269725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.269725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.269725 (E_RNA) where: Base-Base interactions energy: -804.173 where: short stacking energy: -371.389 Base-Backbone interact. energy: -0.740 local terms energy: -399.356142 where: bonds (distance) C4'-P energy: -72.245 bonds (distance) P-C4' energy: -70.060 flat angles C4'-P-C4' energy: -82.031 flat angles P-C4'-P energy: -60.822 tors. eta vs tors. theta energy: -114.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1133.614897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.614897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.614897 (E_RNA) where: Base-Base interactions energy: -769.195 where: short stacking energy: -320.487 Base-Backbone interact. energy: -2.733 local terms energy: -361.687250 where: bonds (distance) C4'-P energy: -77.158 bonds (distance) P-C4' energy: -79.384 flat angles C4'-P-C4' energy: -79.789 flat angles P-C4'-P energy: -47.109 tors. eta vs tors. theta energy: -78.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1058.090825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.090825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.090825 (E_RNA) where: Base-Base interactions energy: -705.485 where: short stacking energy: -326.390 Base-Backbone interact. energy: -0.509 local terms energy: -352.096639 where: bonds (distance) C4'-P energy: -61.079 bonds (distance) P-C4' energy: -75.081 flat angles C4'-P-C4' energy: -83.650 flat angles P-C4'-P energy: -58.513 tors. eta vs tors. theta energy: -73.774 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: 4 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -924.955223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.955223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.955223 (E_RNA) where: Base-Base interactions energy: -594.360 where: short stacking energy: -301.080 Base-Backbone interact. energy: 0.395 local terms energy: -330.989441 where: bonds (distance) C4'-P energy: -63.930 bonds (distance) P-C4' energy: -77.096 flat angles C4'-P-C4' energy: -77.472 flat angles P-C4'-P energy: -45.443 tors. eta vs tors. theta energy: -67.048 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: 5 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -713.238009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.238009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.238009 (E_RNA) where: Base-Base interactions energy: -408.992 where: short stacking energy: -227.889 Base-Backbone interact. energy: -1.749 local terms energy: -302.497320 where: bonds (distance) C4'-P energy: -59.292 bonds (distance) P-C4' energy: -69.598 flat angles C4'-P-C4' energy: -84.609 flat angles P-C4'-P energy: -44.954 tors. eta vs tors. theta energy: -44.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -610.904941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.904941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.904941 (E_RNA) where: Base-Base interactions energy: -352.470 where: short stacking energy: -174.234 Base-Backbone interact. energy: -0.049 local terms energy: -258.385470 where: bonds (distance) C4'-P energy: -70.287 bonds (distance) P-C4' energy: -51.110 flat angles C4'-P-C4' energy: -60.011 flat angles P-C4'-P energy: -52.447 tors. eta vs tors. theta energy: -24.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -502.755972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.755972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.755972 (E_RNA) where: Base-Base interactions energy: -251.761 where: short stacking energy: -151.740 Base-Backbone interact. energy: -1.873 local terms energy: -249.121992 where: bonds (distance) C4'-P energy: -60.473 bonds (distance) P-C4' energy: -72.601 flat angles C4'-P-C4' energy: -59.603 flat angles P-C4'-P energy: -49.028 tors. eta vs tors. theta energy: -7.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -508.133471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.133471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.133471 (E_RNA) where: Base-Base interactions energy: -279.652 where: short stacking energy: -155.975 Base-Backbone interact. energy: 1.475 local terms energy: -229.956050 where: bonds (distance) C4'-P energy: -58.739 bonds (distance) P-C4' energy: -64.106 flat angles C4'-P-C4' energy: -60.946 flat angles P-C4'-P energy: -28.761 tors. eta vs tors. theta energy: -17.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1361.438553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.438553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.438553 (E_RNA) where: Base-Base interactions energy: -928.098 where: short stacking energy: -418.241 Base-Backbone interact. energy: -1.690 local terms energy: -431.651465 where: bonds (distance) C4'-P energy: -75.139 bonds (distance) P-C4' energy: -81.857 flat angles C4'-P-C4' energy: -84.834 flat angles P-C4'-P energy: -58.989 tors. eta vs tors. theta energy: -130.833 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: 7 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1306.510551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.510551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.510551 (E_RNA) where: Base-Base interactions energy: -882.000 where: short stacking energy: -386.941 Base-Backbone interact. energy: -1.259 local terms energy: -423.251665 where: bonds (distance) C4'-P energy: -76.588 bonds (distance) P-C4' energy: -86.750 flat angles C4'-P-C4' energy: -88.884 flat angles P-C4'-P energy: -52.423 tors. eta vs tors. theta energy: -118.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1181.250148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.250148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.250148 (E_RNA) where: Base-Base interactions energy: -792.199 where: short stacking energy: -360.626 Base-Backbone interact. energy: -0.625 local terms energy: -388.425932 where: bonds (distance) C4'-P energy: -67.738 bonds (distance) P-C4' energy: -80.729 flat angles C4'-P-C4' energy: -72.735 flat angles P-C4'-P energy: -61.345 tors. eta vs tors. theta energy: -105.879 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: 4, replica: 1 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1153.576503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.576503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.576503 (E_RNA) where: Base-Base interactions energy: -780.226 where: short stacking energy: -332.312 Base-Backbone interact. energy: -1.184 local terms energy: -372.167337 where: bonds (distance) C4'-P energy: -74.490 bonds (distance) P-C4' energy: -71.075 flat angles C4'-P-C4' energy: -84.882 flat angles P-C4'-P energy: -48.202 tors. eta vs tors. theta energy: -93.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1067.474221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.474221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.474221 (E_RNA) where: Base-Base interactions energy: -707.233 where: short stacking energy: -334.074 Base-Backbone interact. energy: -1.455 local terms energy: -358.785819 where: bonds (distance) C4'-P energy: -75.361 bonds (distance) P-C4' energy: -70.527 flat angles C4'-P-C4' energy: -75.675 flat angles P-C4'-P energy: -47.965 tors. eta vs tors. theta energy: -89.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -922.420885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.420885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.420885 (E_RNA) where: Base-Base interactions energy: -619.635 where: short stacking energy: -260.188 Base-Backbone interact. energy: 0.809 local terms energy: -303.594639 where: bonds (distance) C4'-P energy: -58.889 bonds (distance) P-C4' energy: -73.262 flat angles C4'-P-C4' energy: -72.248 flat angles P-C4'-P energy: -45.286 tors. eta vs tors. theta energy: -53.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -671.331684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.331684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.331684 (E_RNA) where: Base-Base interactions energy: -384.529 where: short stacking energy: -198.712 Base-Backbone interact. energy: -1.043 local terms energy: -285.760011 where: bonds (distance) C4'-P energy: -66.521 bonds (distance) P-C4' energy: -69.126 flat angles C4'-P-C4' energy: -63.369 flat angles P-C4'-P energy: -46.439 tors. eta vs tors. theta energy: -40.305 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: 6 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -653.001530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.001530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.001530 (E_RNA) where: Base-Base interactions energy: -382.148 where: short stacking energy: -196.078 Base-Backbone interact. energy: 0.721 local terms energy: -271.574087 where: bonds (distance) C4'-P energy: -66.525 bonds (distance) P-C4' energy: -65.462 flat angles C4'-P-C4' energy: -68.290 flat angles P-C4'-P energy: -50.770 tors. eta vs tors. theta energy: -20.528 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: 3 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -503.593604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.593604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.593604 (E_RNA) where: Base-Base interactions energy: -238.824 where: short stacking energy: -132.233 Base-Backbone interact. energy: 3.017 local terms energy: -267.786141 where: bonds (distance) C4'-P energy: -74.634 bonds (distance) P-C4' energy: -75.406 flat angles C4'-P-C4' energy: -64.328 flat angles P-C4'-P energy: -36.501 tors. eta vs tors. theta energy: -16.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -482.904209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.904209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.904209 (E_RNA) where: Base-Base interactions energy: -241.771 where: short stacking energy: -134.714 Base-Backbone interact. energy: -0.839 local terms energy: -240.294817 where: bonds (distance) C4'-P energy: -61.729 bonds (distance) P-C4' energy: -58.674 flat angles C4'-P-C4' energy: -61.486 flat angles P-C4'-P energy: -46.443 tors. eta vs tors. theta energy: -11.962 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: 10 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1353.072586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.072586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.072586 (E_RNA) where: Base-Base interactions energy: -911.228 where: short stacking energy: -417.021 Base-Backbone interact. energy: -0.478 local terms energy: -441.366592 where: bonds (distance) C4'-P energy: -76.680 bonds (distance) P-C4' energy: -79.206 flat angles C4'-P-C4' energy: -98.174 flat angles P-C4'-P energy: -57.467 tors. eta vs tors. theta energy: -129.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1307.294323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.294323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.294323 (E_RNA) where: Base-Base interactions energy: -897.980 where: short stacking energy: -400.304 Base-Backbone interact. energy: -1.509 local terms energy: -407.805336 where: bonds (distance) C4'-P energy: -72.221 bonds (distance) P-C4' energy: -75.633 flat angles C4'-P-C4' energy: -86.726 flat angles P-C4'-P energy: -53.016 tors. eta vs tors. theta energy: -120.210 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: 501 Temperature: 1.000000 Total energy: -1201.810269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.810269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.810269 (E_RNA) where: Base-Base interactions energy: -810.563 where: short stacking energy: -373.868 Base-Backbone interact. energy: -1.122 local terms energy: -390.125254 where: bonds (distance) C4'-P energy: -79.569 bonds (distance) P-C4' energy: -67.461 flat angles C4'-P-C4' energy: -77.524 flat angles P-C4'-P energy: -50.003 tors. eta vs tors. theta energy: -115.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1136.587711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.587711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.587711 (E_RNA) where: Base-Base interactions energy: -770.839 where: short stacking energy: -331.779 Base-Backbone interact. energy: -1.477 local terms energy: -364.272031 where: bonds (distance) C4'-P energy: -71.115 bonds (distance) P-C4' energy: -77.380 flat angles C4'-P-C4' energy: -77.101 flat angles P-C4'-P energy: -43.411 tors. eta vs tors. theta energy: -95.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1070.572868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.572868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.572868 (E_RNA) where: Base-Base interactions energy: -715.025 where: short stacking energy: -316.021 Base-Backbone interact. energy: -2.318 local terms energy: -353.230434 where: bonds (distance) C4'-P energy: -69.332 bonds (distance) P-C4' energy: -74.532 flat angles C4'-P-C4' energy: -74.308 flat angles P-C4'-P energy: -48.080 tors. eta vs tors. theta energy: -86.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -952.688573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.688573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.688573 (E_RNA) where: Base-Base interactions energy: -627.930 where: short stacking energy: -299.746 Base-Backbone interact. energy: 2.298 local terms energy: -327.056789 where: bonds (distance) C4'-P energy: -67.117 bonds (distance) P-C4' energy: -64.728 flat angles C4'-P-C4' energy: -63.296 flat angles P-C4'-P energy: -44.644 tors. eta vs tors. theta energy: -87.272 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: 5 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -634.028072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.028072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.028072 (E_RNA) where: Base-Base interactions energy: -352.558 where: short stacking energy: -184.064 Base-Backbone interact. energy: 4.094 local terms energy: -285.564100 where: bonds (distance) C4'-P energy: -53.626 bonds (distance) P-C4' energy: -80.939 flat angles C4'-P-C4' energy: -72.267 flat angles P-C4'-P energy: -47.476 tors. eta vs tors. theta energy: -31.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -648.073046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.073046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.073046 (E_RNA) where: Base-Base interactions energy: -386.694 where: short stacking energy: -201.195 Base-Backbone interact. energy: -0.330 local terms energy: -261.049321 where: bonds (distance) C4'-P energy: -67.697 bonds (distance) P-C4' energy: -69.296 flat angles C4'-P-C4' energy: -58.553 flat angles P-C4'-P energy: -34.530 tors. eta vs tors. theta energy: -30.973 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: 3 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -516.349349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.349349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.349349 (E_RNA) where: Base-Base interactions energy: -271.940 where: short stacking energy: -155.147 Base-Backbone interact. energy: -1.629 local terms energy: -242.780091 where: bonds (distance) C4'-P energy: -55.996 bonds (distance) P-C4' energy: -66.070 flat angles C4'-P-C4' energy: -60.613 flat angles P-C4'-P energy: -34.136 tors. eta vs tors. theta energy: -25.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -448.846479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.846479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.846479 (E_RNA) where: Base-Base interactions energy: -220.404 where: short stacking energy: -135.626 Base-Backbone interact. energy: 3.235 local terms energy: -231.677211 where: bonds (distance) C4'-P energy: -59.686 bonds (distance) P-C4' energy: -65.040 flat angles C4'-P-C4' energy: -80.505 flat angles P-C4'-P energy: -26.354 tors. eta vs tors. theta energy: -0.093 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) replica 10 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 63655414 moves confirmed later: 68664112 all moves confirmed: 132319526 percent of confirmed moves: 16.539941 current total energy: -1262.442088 recalc. total energy: -1262.442088 replica 7 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 64128454 moves confirmed later: 69487637 all moves confirmed: 133616091 percent of confirmed moves: 16.702011 current total energy: -1197.690230 recalc. total energy: -1197.690230 replica 1 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 95043173 moves confirmed later: 109493295 all moves confirmed: 204536468 percent of confirmed moves: 25.567059 current total energy: -1097.111425 recalc. total energy: -1097.111425 replica 2 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 81337271 moves confirmed later: 90887530 all moves confirmed: 172224801 percent of confirmed moves: 21.528100 current total energy: -1110.355817 recalc. total energy: -1110.355817 replica 9 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 77601588 moves confirmed later: 86402996 all moves confirmed: 164004584 percent of confirmed moves: 20.500573 current total energy: -984.547247 recalc. total energy: -984.547247 replica 4 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 85897342 moves confirmed later: 97178608 all moves confirmed: 183075950 percent of confirmed moves: 22.884494 current total energy: -931.023248 recalc. total energy: -931.023248 replica 6 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 120051713 moves confirmed later: 142225636 all moves confirmed: 262277349 percent of confirmed moves: 32.784669 current total energy: -520.116940 recalc. total energy: -520.116940 replica 5 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 129637837 moves confirmed later: 154830675 all moves confirmed: 284468512 percent of confirmed moves: 35.558564 current total energy: -544.265775 recalc. total energy: -544.265775 replica 3 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 125114601 moves confirmed later: 148735023 all moves confirmed: 273849624 percent of confirmed moves: 34.231203 current total energy: -425.727627 recalc. total energy: -425.727627 replica 8 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 148342864 moves confirmed later: 179209595 all moves confirmed: 327552459 percent of confirmed moves: 40.944057 current total energy: -326.301593 recalc. total energy: -326.301593 out arg RESULTS//1/Utr2-717891de_01 Time of doing 8000000 iterations: 14528.002 seconds